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Sample records for off-shell transport approach

  1. General N=2 supersymmetric quantum mechanical model: Supervariable approach to its off-shell nilpotent symmetries

    SciTech Connect

    Krishna, S.; Shukla, A.; Malik, R.P.

    2014-12-15

    Using the supersymmetric (SUSY) invariant restrictions on the (anti-)chiral supervariables, we derive the off-shell nilpotent symmetries of the general one (0+1)-dimensional N=2 SUSY quantum mechanical (QM) model which is considered on a (1, 2)-dimensional supermanifold (parametrized by a bosonic variable t and a pair of Grassmannian variables θ and θ-bar with θ{sup 2}=(θ-bar){sup 2}=0,θ(θ-bar)+(θ-bar)θ=0). We provide the geometrical meanings to the two SUSY transformations of our present theory which are valid for any arbitrary type of superpotential. We express the conserved charges and Lagrangian of the theory in terms of the supervariables (that are obtained after the application of SUSY invariant restrictions) and provide the geometrical interpretation for the nilpotency property and SUSY invariance of the Lagrangian for the general N=2 SUSY quantum theory. We also comment on the mathematical interpretation of the above symmetry transformations. - Highlights: • A novel method has been proposed for the derivation of N=2 SUSY transformations. • General N=2 SUSY quantum mechanical (QM) model with a general superpotential, is considered. • The above SUSY QM model is generalized onto a (1, 2)-dimensional supermanifold. • SUSY invariant restrictions are imposed on the (anti-)chiral supervariables. • Geometrical meaning of the nilpotency property is provided.

  2. Off-shell CHY amplitudes

    NASA Astrophysics Data System (ADS)

    Lam, C. S.; Yao, York-Peng

    2016-06-01

    The Cachazo-He-Yuan (CHY) formula for on-shell scattering amplitudes is extended off-shell. The off-shell amplitudes (amputated Green's functions) are Möbius invariant, and have the same momentum poles as the on-shell amplitudes. The working principles which drive the modifications to the scattering equations are mainly Möbius covariance and energy momentum conservation in off-shell kinematics. The same technique is also used to obtain off-shell massive scalars. A simple off-shell extension of the CHY gauge formula which is Möbius invariant is proposed, but its true nature awaits further study.

  3. Off-shell Poincaré supergravity

    NASA Astrophysics Data System (ADS)

    Freedman, Daniel Z.; Roest, Diederik; Van Proeyen, Antoine

    2017-02-01

    We present the action and transformation rules of Poincaré supergravity coupled to chiral multiplets ( z α , χ α , h α ) with off-shell auxiliary fields. Starting from the geometric formulation of the superconformal theory with auxiliary fields, we derive the Poincaré counterpart by gauge-fixing the Weyl and chiral symmetry and S-supersymmetry. We show how this transition is facilitated by retaining explicit target-space covariance. Our results form a convenient starting point to study models with constrained superfields, including general matter-coupled de Sitter supergravity.

  4. Off-shell hydrodynamics from holography

    DOE PAGES

    Crossley, Michael; Glorioso, Paolo; Liu, Hong; ...

    2016-02-18

    In this article, we outline a program for obtaining an action principle for dissipative fluid dynamics by considering the holographic Wilsonian renormalization group applied to systems with a gravity dual. As a first step, in this paper we restrict to systems with a non-dissipative horizon. By integrating out gapped degrees of freedom in the bulk gravitational system between an asymptotic boundary and a horizon, we are led to a formulation of hydrodynamics where the dynamical variables are not standard velocity and temperature fields, but the relative embedding of the boundary and horizon hypersurfaces. At zeroth order, this action reduces tomore » that proposed by Dubovsky et al. as an off-shell formulation of ideal fluid dynamics.« less

  5. Off-shell hydrodynamics from holography

    SciTech Connect

    Crossley, Michael; Glorioso, Paolo; Liu, Hong; Wang, Yifan

    2016-02-18

    In this article, we outline a program for obtaining an action principle for dissipative fluid dynamics by considering the holographic Wilsonian renormalization group applied to systems with a gravity dual. As a first step, in this paper we restrict to systems with a non-dissipative horizon. By integrating out gapped degrees of freedom in the bulk gravitational system between an asymptotic boundary and a horizon, we are led to a formulation of hydrodynamics where the dynamical variables are not standard velocity and temperature fields, but the relative embedding of the boundary and horizon hypersurfaces. At zeroth order, this action reduces to that proposed by Dubovsky et al. as an off-shell formulation of ideal fluid dynamics.

  6. Off-shell Jost solutions for Coulomb and Coulomb-like interactions in all partial waves

    SciTech Connect

    Laha, U.; Bhoi, J.

    2013-01-15

    By exploiting the theory of ordinary differential equations, with judicious use of boundary conditions, interacting Green's functions and their integral transforms together with certain properties of higher transcendental functions, useful analytical expressions for the off-shell Jost solutions for motion in Coulomb and Coulomb-nuclear potentials are derived in maximal reduced form through different approaches to the problem in the representation space. The exact analytical expressions for the off-shell Jost solutions for Coulomb and Coulomb-like potentials are believed to be useful for the description of the charged particle scattering/reaction processes.

  7. Off-shell two-loop QCD vertices

    NASA Astrophysics Data System (ADS)

    Gracey, J. A.

    2014-07-01

    We calculate the triple gluon, ghost-gluon and quark-gluon vertex functions at two loops in the MS¯ scheme in the chiral limit for an arbitrary linear covariant gauge when the external legs are all off shell.

  8. Off-shell spinor-helicity amplitudes from light-cone deformation procedure

    NASA Astrophysics Data System (ADS)

    Ponomarev, Dmitry

    2016-12-01

    We study the consistency conditions for interactions of massless fields of any spin in four-dimensional flat space using the light-cone approach. We show that they can be equivalently rewritten as the Ward identities for the off-shell light-cone amplitudes built from the light-cone Hamiltonian in the standard way. Then we find a general solution of these Ward identities. The solution admits a compact representation when written in the spinor-helicity form and is given by an arbitrary function of spinor products, satisfying wellknown homogeneity constraints. Thus, we show that the light-cone consistent deformation procedure inevitably leads to a certain off-shell version of the spinor-helicity approach. We discuss how the relation between the two approaches can be employed to facilitate the search of consistent interaction of massless higher-spin fields.

  9. Off-shell massive N = 1 supermultiplets in three dimensions

    NASA Astrophysics Data System (ADS)

    Kuzenko, Sergei M.; Tsulaia, Mirian

    2017-01-01

    This paper is mainly concerned with the construction of new off-shell higher spin N = 1 supermultiplets in three spacetime dimensions. We elaborate on the gauge prepotentials and linearised super-Cotton tensors for higher spin N = 1 superconformal geometry and propose compensating superfields required to formulate off-shell massless higher spin supermultiplets. The corresponding gauge-invariant actions are worked out explicitly using an auxiliary oscillator realisation. We construct, for the first time, off-shell massive higher spin supermultiplets. The gauge-invariant actions for these supermultiplets are obtained by adding Chern-Simons like mass terms (that is, higher spin extensions of the linearised action for N = 1 conformal supergravity) to the actions for the massless supermultiplets. For each of the massive gravitino and supergravity multiplets, we propose two dually equivalent formulations.

  10. Off-Shell Supersymmetry versus Hermiticity in Superstrings

    SciTech Connect

    Berkovits, N.

    1996-09-01

    We point out that off-shell four-dimensional spacetime supersymmetry implies strange Hermiticity properties for the {ital N}=1 Ramond-Neveu-Schwarz superstring. However, these Hermiticity properties become natural when the {ital N}=1 superstring is embedded into an {ital N}=2 superstring. {copyright} {ital 1996 The American Physical Society.}

  11. Bordered surfaces, off-shell amplitudes, sewing, and string field theory

    NASA Astrophysics Data System (ADS)

    Carlip, Steven

    1989-04-01

    These lectures will deal with the current status of the sewing problem. The rationale for this approach is that any nonperturbative string theory must reproduce the Polyakov path integral as a perturbation series. If our experience in ordinary field theory is a guide, and admittedly it may not be, the terms in such a perturbation series, like Feynman diagrams, are likely to be built up from simple vertices and propagators, which can themselves be represented as (off-shell) Polyakov amplitudes. Hence an understanding of how to put together simple components into more complicated world sheet amplitudes is likely to give us much-needed information about the structure of nonperturbative string theory. To understand sewing, we must first understand the building blocks, off-shell Polyakov amplitudes. This is the subject of my first lecture. Next, we will explore the sewing of conformal field theories at a fixed conformal structure, that is, the reconstruction of correlation functions for a fixed surface (Sigma) from those on a pair of surfaces (Sigma)(sub 1) and (Sigma)(sub 2) obtained by cutting (Sigma) along a closed curve. We will then look at the problem of sewing amplitudes, integrals of correlation functions over moduli space. This will necessitate an understanding of how to build the moduli space of a complicated surface from simpler moduli spaces. Finally, we will briefly examine vertices and string field theories.

  12. Bordered surfaces, off-shell amplitudes, sewing, and string field theory

    SciTech Connect

    Carlip, S.

    1989-04-01

    These lectures will deal with the current status of the sewing problem. The rationale for this approach is that any nonperturbative string theory must reproduce the Polyakov path integral as a perturbation series. If our experience in ordinary field theory is a guide --- and admittedly it may not be --- the terms in such a perturbation series, like Feynman diagrams, are likely to be built up from simple ''vertices'' and ''propagators,'' which can themselves be represented as (off-shell) Polyakov amplitudes. Hence an understanding of how to put together simple components into more complicated world sheet amplitudes is likely to give us much-needed information about the structure of nonperturbative string theory. To understand sewing, we must first understand the building blocks, off-shell Polyakov amplitudes. This is the subject of my first lecture. Next, we will explore the sewing of conformal field theories at a fixed conformal structure, that is, the reconstruction of correlation functions for a fixed surface /Sigma/ from those on a pair of surfaces /Sigma//sub 1/ and /Sigma//sub 2/ obtained by cutting /Sigma/ along a closed curve. We will then look at the problem of sewing amplitudes, integrals of correlation functions over moduli space. This will necessitate an understanding of how to build the moduli space of a complicated surface from simpler moduli spaces. Finally, we will briefly examine vertices and string field theories. 48 refs., 10 figs.

  13. Off-shell single-top production at NLO matched to parton showers

    SciTech Connect

    Frederix, R.; Frixione, S.; Papanastasiou, A. S.; Prestel, S.; Torrielli, P.

    2016-06-06

    We study the hadroproduction of a Wb pair in association with a light jet, focusing on the dominant t-channel contribution and including exactly at the matrix-element level all non-resonant and off-shell effects induced by the finite top-quark width. Our simulations are accurate to the next-to-leading order in QCD, and are matched to the Herwig6 and Pythia8 parton showers through the MC@NLO method. We present phenomenological results relevant to the 8 TeV LHC, and carry out a thorough comparison to the case of on-shell t-channel single-top production. Furthermore, we formulate our approach so that it can be applied to the general case of matrix elements that feature coloured intermediate resonances and are matched to parton showers.

  14. Off-shell single-top production at NLO matched to parton showers

    DOE PAGES

    Frederix, R.; Frixione, S.; Papanastasiou, A. S.; ...

    2016-06-06

    We study the hadroproduction of a Wb pair in association with a light jet, focusing on the dominant t-channel contribution and including exactly at the matrix-element level all non-resonant and off-shell effects induced by the finite top-quark width. Our simulations are accurate to the next-to-leading order in QCD, and are matched to the Herwig6 and Pythia8 parton showers through the MC@NLO method. We present phenomenological results relevant to the 8 TeV LHC, and carry out a thorough comparison to the case of on-shell t-channel single-top production. Furthermore, we formulate our approach so that it can be applied to the generalmore » case of matrix elements that feature coloured intermediate resonances and are matched to parton showers.« less

  15. Leading singularities and off-shell conformal integrals

    SciTech Connect

    Drummond, James; Duhr, Claude; Eden, Burkhard; Heslop, Paul; Pennington, Jeffrey; Smirnov, Vladimir A.

    2013-08-29

    The three-loop four-point function of stress-tensor multiplets in N=4 super Yang-Mills theory contains two so far unknown, off-shell, conformal integrals, in addition to the known, ladder-type integrals. In our paper we evaluate the unknown integrals, thus obtaining the three-loop correlation function analytically. The integrals have the generic structure of rational functions multiplied by (multiple) polylogarithms. We use the idea of leading singularities to obtain the rational coefficients, the symbol — with an appropriate ansatz for its structure — as a means of characterising multiple polylogarithms, and the technique of asymptotic expansion of Feynman integrals to obtain the integrals in certain limits. The limiting behaviour uniquely fixes the symbols of the integrals, which we then lift to find the corresponding polylogarithmic functions. The final formulae are numerically confirmed. Furthermore, we develop techniques that can be applied more generally, and we illustrate this by analytically evaluating one of the integrals contributing to the same four-point function at four loops. This example shows a connection between the leading singularities and the entries of the symbol.

  16. NLO QCD+EW predictions for V + jets including off-shell vector-boson decays and multijet merging

    NASA Astrophysics Data System (ADS)

    Kallweit, S.; Lindert, J. M.; Maierhöfer, P.; Pozzorini, S.; Schönherr, M.

    2016-04-01

    We present next-to-leading order (NLO) predictions including QCD and electroweak (EW) corrections for the production and decay of off-shell electroweak vector bosons in association with up to two jets at the 13 TeV LHC. All possible dilepton final states with zero, one or two charged leptons that can arise from off-shell W and Z bosons or photons are considered. All predictions are obtained using the automated implementation of NLO QCD+EW corrections in the O penLoops matrix-element generator combined with the Munich and Sherpa Monte Carlo frameworks. Electroweak corrections play an especially important role in the context of BSM searches, due to the presence of large EW Sudakov logarithms at the TeV scale. In this kinematic regime, important observables such as the jet transverse momentum or the total transverse energy are strongly sensitive to multijet emissions. As a result, fixed-order NLO QCD+EW predictions are plagued by huge QCD corrections and poor theoretical precision. To remedy this problem we present an approximate method that allows for a simple and reliable implementation of NLO EW corrections in the MePs@Nlo multijet merging framework. Using this general approach we present an inclusive simulation of vector-boson production in association with jets that guarantees NLO QCD+EW accuracy in all phase-space regions involving up to two resolved jets.

  17. Off-shell amplitudes as boundary integrals of analytically continued Wilson line slope

    NASA Astrophysics Data System (ADS)

    Kotko, P.; Serino, M.; Stasto, A. M.

    2016-08-01

    One of the methods to calculate tree-level multi-gluon scattering amplitudes is to use the Berends-Giele recursion relation involving off-shell currents or off-shell amplitudes, if working in the light cone gauge. As shown in recent works using the light-front perturbation theory, solutions to these recursions naturally collapse into gauge invariant and gauge-dependent components, at least for some helicity configurations. In this work, we show that such structure is helicity independent and emerges from analytic properties of matrix elements of Wilson line operators, where the slope of the straight gauge path is shifted in a certain complex direction. This is similar to the procedure leading to the Britto-Cachazo-Feng-Witten (BCFW) recursion, however we apply a complex shift to the Wilson line slope instead of the external momenta. While in the original BCFW procedure the boundary integrals over the complex shift vanish for certain deformations, here they are non-zero and are equal to the off-shell amplitudes. The main result can thus be summarized as follows: we derive a decomposition of a helicity-fixed off-shell current into gauge invariant component given by a matrix element of a straight Wilson line plus a reminder given by a sum of products of gauge invariant and gauge dependent quantities. We give several examples realizing this relation, including the five-point next-to-MHV helicity configuration.

  18. One-loop pentagon integral with one off-shell leg in 6 -2 ɛ dimensions

    NASA Astrophysics Data System (ADS)

    Kozlov, Mikhail G.

    2017-02-01

    We apply the differential equations technique to the calculation of the one-loop massless diagram with one off-shell leg. Using a reduction to the ɛ -form, we managed to obtain a simple onefold integral representation exact in space-time dimensionality. Expansion of the obtained result in ɛ and an analytical continuation to the physical region are discussed.

  19. Holomorphic Chern-Simons theory coupled to off-shell Kodaira-Spencer gravity

    NASA Astrophysics Data System (ADS)

    Giusto, Stefano; Imbimbo, Camillo; Rosa, Dario

    2012-10-01

    We construct an action for holomorphic Chern-Simons theory that couples the gauge field to off-shell gravitational backgrounds, comprising the complex structure and the (3,0)-form of the target space. Gauge invariance of the off-shell action is achieved by enlarging the field space to include an appropriate system of Lagrange multipliers, ghost and ghost-for-ghost fields. Both the BRST transformations and the BV action are compactly and neatly written in terms of superfields which include fields, backgrounds and their antifields. We show that the anti-holomorphic target space derivative can be written as a BRST-commutator on a functional space containing the anti-fields of both the dynamical fields and the gravitational backgrounds. We derive from this result a Ward identity that determines the anti-holomorphic dependence of physical correlators.

  20. Off-shell higher spin N =2 supermultiplets in three dimensions

    NASA Astrophysics Data System (ADS)

    Kuzenko, Sergei M.; Ogburn, Daniel X.

    2016-11-01

    Off-shell higher spin N =2 supermultiplets in three spacetime dimensions (3D) are presented in this paper. We propose gauge prepotentials for higher spin superconformal gravity and construct the corresponding gauge-invariant field strengths, which are proved to be conformal primary superfields. These field strengths are higher spin generalizations of the (linearized) N =2 super-Cotton tensor, which controls the superspace geometry of conformal supergravity. We also construct the higher spin extensions of the linearized N =2 conformal supergravity action. We provide two dually equivalent off-shell formulations for massless higher spin N =2 supermultiplets. They involve one and the same superconformal prepotential but differ in the compensators used. For the lowest superspin value 3 /2 , these higher spin series terminate at the linearized actions for the (1,1) minimal and w =-1 nonminimal N =2 Poincaré supergravity theories constructed in S. M. Kuzenko and G. Tartaglino-Mazzucchelli, arXiv:1109.0496. Similar to the pure 3D supergravity actions, their higher spin counterparts propagate no degrees of freedom. However, the massless higher spin supermultiplets are used to construct off-shell massive N =2 supermultiplets by combining the massless actions with those describing higher spin extensions of the linearized N =2 conformal supergravity. We also demonstrate that every higher spin super-Cotton tensor can be represented as a linear superposition of the equations of motion for the corresponding massless higher spin supermultiplet, with the coefficients being higher-derivative linear operators.

  1. A Coulomb-Like Off-Shell T-Matrix with the Correct Coulomb Phase Shift

    NASA Astrophysics Data System (ADS)

    Oryu, Shinsho; Watanabe, Takashi; Hiratsuka, Yasuhisa; Togawa, Yoshio

    2017-03-01

    We confirm the reliability of the well-known Coulomb renormalization method (CRM). It is found that the CRM is only available for a very-long-range screened Coulomb potential (SCP). However, such an SCP calculation in momentum space is considerably difficult because of the cancelation of significant digits. In contrast to the CRM, we propose a new method by using an on-shell equivalent SCP and the rest term. The two-potential theory with r-space is introduced, which defines fully the off-shell Coulomb amplitude.

  2. Off-shell behavior of relativistic NN effective interactions and charge symmetry breaking

    NASA Astrophysics Data System (ADS)

    Gersten, A.; Thomas, A. W.; Weyrauch, M.

    1990-04-01

    We examine in detail the suggestion of Iqbal et al. for calculating the class-four charge symmetry breaking amplitude in n-p scattering. By simplifying to a model problem, we show explicitly that the approximation scheme is unreliable if a phenomenological, effective nucleon-nucleon T matrix is used. Our results have wider implications for observables calculated in relativistic impulse approximation calculations. They reinforce the observation made in the literature that the procedure of fitting only positive energy matrix elements can lead to an NN interaction whose off-shell behavior is incorrect.

  3. Off-shell dark matter: A cosmological relic of quantum gravity

    NASA Astrophysics Data System (ADS)

    Saravani, Mehdi; Afshordi, Niayesh

    2017-02-01

    We study a novel proposal for the origin of cosmological cold dark matter (CDM) which is rooted in the quantum nature of spacetime. In this model, off-shell modes of quantum fields can exist in asymptotic states as a result of spacetime nonlocality (expected in generic theories of quantum gravity) and play the role of CDM, which we dub off-shell dark matter (O f DM ). However, their rate of production is suppressed by the scale of nonlocality (e.g. Planck length). As a result, we show that O f DM is only produced in the first moments of big bang, and then effectively decouples (except through its gravitational interactions). We examine the observational predictions of this model: In the context of cosmic inflation, we show that this proposal relates the reheating temperature to the inflaton mass, which narrows down the uncertainty in the number of e -foldings of specific inflationary scenarios. We also demonstrate that O f DM is indeed cold, and discuss potentially observable signatures on small scale matter power spectrum.

  4. Higher gauge theories from Lie n-algebras and off-shell covariantization

    NASA Astrophysics Data System (ADS)

    Carow-Watamura, Ursula; Heller, Marc Andre; Ikeda, Noriaki; Kaneko, Yukio; Watamura, Satoshi

    2016-07-01

    We analyze higher gauge theories in various dimensions using a supergeometric method based on a differential graded symplectic manifold, called a QP-manifold, which is closely related to the BRST-BV formalism in gauge theories. Extensions of the Lie 2-algebra gauge structure are formulated within the Lie n-algebra induced by the QP-structure. We find that in 5 and 6 dimensions there are special extensions of the gauge algebra. In these cases, a restriction of the gauge symmetry by imposing constraints on the auxiliary gauge fields leads to a covariantized theory. As an example we show that we can obtain an off-shell covariantized higher gauge theory in 5 dimensions, which is similar to the one proposed in [1].

  5. Off-Shell Green Functions: One-Loop with Growing Legs

    SciTech Connect

    Bashir, A.; Concha-Sanchez, Y.; Delbourgo, R.; Tejeda-Yeomans, M. E.

    2008-07-02

    One loop calculations in gauge theories in arbitrary gauge and dimensions become exceedingly hard with growing number of external off-shell legs. Let alone higher point functions, such a calculation for even the three point one-loop vertices for quantum electrodynamics (QED) and quantum chromodynamics (QCD) has been made available only recently. In this article, we discuss how Ward-Fradkin-Green-Takahashi identities (WFGTI) may provide a helpful tool in these computations. After providing a glimpse of our suggestion for the case of the 3-point vertex, we present our preliminary findings towards our similar efforts for the 4-point function. We restrict ourselves to the example of scalar quantum electrodynamics (SQED)

  6. A Lorentz covariant holoraumy-induced "gadget" from minimal off-shell 4D, N=1 supermultiplets

    NASA Astrophysics Data System (ADS)

    Gates, S. James; Grover, Tyler; Miller-Dickson, Miles David; Mondal, Benedict A.; Oskoui, Amir; Regmi, Shirash; Ross, Ethan; Shetty, Rajath

    2015-11-01

    Starting from three minimal off-shell 4D, N=1 supermultiplets, using constructions solely defined within the confines of the four dimensional field theory we show the existence of a "gadget" — a member of a class of metrics on the representation space of the supermultiplets — whose values directly and completely correspond to the values of a metric defined on the 1d, N = 4 adinkra networks adjacency matrices corresponding to the projections of the four dimensional supermultiplets.

  7. On the Green-functions of the classical off-shell electrodynamics under the manifestly covariant relativistic dynamics of Stueckelberg

    NASA Astrophysics Data System (ADS)

    Aharonovich, I.; Horwitz, L. P.

    2011-08-01

    In previous papers derivations of the Green function have been given for 5D off-shell electrodynamics in the framework of the manifestly covariant relativistic dynamics of Stueckelberg (with invariant evolution parameter τ). In this paper, we reconcile these derivations resulting in different explicit forms, and relate our results to the conventional fundamental solutions of linear 5D wave equations published in the mathematical literature. We give physical arguments for the choice of the Green function retarded in the fifth variable τ.

  8. Higgs production in association with off-shell top-antitop pairs at NLO EW and QCD at the LHC

    NASA Astrophysics Data System (ADS)

    Denner, Ansgar; Lang, Jean-Nicolas; Pellen, Mathieu; Uccirati, Sandro

    2017-02-01

    We present NLO electroweak corrections to Higgs production in association with off-shell top-antitop quark pairs. The full process ppto {e}+{ν}e{μ}-{overline{ν}}_{μ}boverline{b}H is considered, and hence all interference, off-shell, and non-resonant contributions are taken into account. The electroweak corrections turn out to be below one per cent for the integrated cross section but can exceed 10% in certain phase-space regions. In addition to its phenomenological relevance, the computation constitutes a major technical achievement as the full NLO virtual corrections involving up to 9-point functions have been computed exactly. The results of the full computation are supported by two calculations in the double-pole approximation. These also allow to infer the effect of off-shell contributions and emphasise their importance especially for the run II of the LHC. Finally, we present combined predictions featuring both NLO electroweak and QCD corrections in a common set-up that will help the experimental collaborations in their quest of precisely measuring the aforementioned process.

  9. Constraints on the off-shell Higgs boson signal strength in the high-mass ZZ and WW final states with the ATLAS detector

    SciTech Connect

    Aad, G.

    2015-07-17

    The measurements of the ZZ and WW final states in the mass range above the \\(2m_Z\\) and \\(2m_W\\) thresholds provide a unique opportunity to measure the off-shell coupling strength of the Higgs boson. This paper presents constraints on the off-shell Higgs boson event yields normalised to the Standard Model prediction (signal strength) in the \\(ZZ \\rightarrow 4\\ell \\), \\(ZZ\\rightarrow 2\\ell 2\

  10. Mechanical approach to chemical transport

    PubMed Central

    Kocherginsky, Nikolai; Gruebele, Martin

    2016-01-01

    Nonequilibrium thermodynamics describes the rates of transport phenomena with the aid of various thermodynamic forces, but often the phenomenological transport coefficients are not known, and the description is not easily connected with equilibrium relations. We present a simple and intuitive model to address these issues. Our model is based on Lagrangian dynamics for chemical systems with dissipation, so one may think of the model as physicochemical mechanics. Using one main equation, the model allows a systematic derivation of all transport and equilibrium equations, subject to the limitation that heat generated or absorbed in the system must be small for the model to be valid. A table with all major examples of transport and equilibrium processes described using physicochemical mechanics is given. In equilibrium, physicochemical mechanics reduces to standard thermodynamics and the Gibbs–Duhem relation, and we show that the First and Second Laws of thermodynamics are satisfied for our system plus bath model. Out of equilibrium, our model provides relationships between transport coefficients and describes system evolution in the presence of several simultaneous external fields. The model also leads to an extension of the Onsager–Casimir reciprocal relations for properties simultaneously transported by many components. PMID:27647899

  11. Similarity and differences between the radion and Higgs boson production and decay processes involving off-shell fermions

    SciTech Connect

    Boos, E. E.; Keizerov, S. I.; Rahmetov, E. R.; Svirina, K. S.

    2015-12-15

    The radion is a scalar particle that occurs in brane world models and interacts with the trace of the energy–momentum tensor of the Standard Model (SM). The radion–SM fermion interaction Lagrangian differs from the Higgs boson–fermion interaction Lagrangian for off-shell fermions. It is shown that all additional, as compared to the Higgs boson, contributions to the amplitudes of radion production and decay processes involving off-shell fermions are canceled out for both massless and massive fermions. Thus, additional terms in the interaction Lagrangian do not change properties of these processes for the radion and the Higgs boson, except for the general normalization factors. This similarity is a consequence of gauge invariance for the processes with production of gauge bosons. When an additional scalar particle is produced, there are no apparent reasons for the above cancellation, as confirmed, for example, by the process with production of two scalar particles, which features an additional contribution of the radion in comparison with the Higgs boson.

  12. Top Quark Pair Production in Association with a Jet with Next-to-Leading-Order QCD Off-Shell Effects at the Large Hadron Collider.

    PubMed

    Bevilacqua, G; Hartanto, H B; Kraus, M; Worek, M

    2016-02-05

    We present a complete description of top quark pair production in association with a jet in the dilepton channel. Our calculation is accurate to next-to-leading order (NLO) in QCD and includes all nonresonant diagrams, interferences, and off-shell effects of the top quark. Moreover, nonresonant and off-shell effects due to the finite W gauge boson width are taken into account. This calculation constitutes the first fully realistic NLO computation for top quark pair production with a final state jet in hadronic collisions. Numerical results for differential distributions as well as total cross sections are presented for the Large Hadron Collider at 8 TeV. With our inclusive cuts, NLO predictions reduce the unphysical scale dependence by more than a factor of 3 and lower the total rate by about 13% compared to leading-order QCD predictions. In addition, the size of the top quark off-shell effects is estimated to be below 2%.

  13. Off-shell extrapolation of Regge-model NN scattering amplitudes describing final state interactions in 2H(e,e'p)

    SciTech Connect

    Ford, William Paul; van Orden, Wally

    2013-11-25

    In this work, an off-shell extrapolation is proposed for the Regge-model NN amplitudes presented in a paper by Ford and Van Orden [ Phys. Rev. C 87 014004 (2013)] and in an eprint by Ford (arXiv:1310.0871 [nucl-th]). The prescriptions for extrapolating these amplitudes for one nucleon off-shell in the initial state are presented. Application of these amplitudes to calculations of deuteron electrodisintegration are presented and compared to the limited available precision data in the kinematical region covered by the Regge model.

  14. Off-shell extrapolation of Regge-model NN scattering amplitudes describing final state interactions in 2H(e,e'p)

    DOE PAGES

    Ford, William Paul; van Orden, Wally

    2013-11-25

    In this work, an off-shell extrapolation is proposed for the Regge-model NN amplitudes presented in a paper by Ford and Van Orden [ Phys. Rev. C 87 014004 (2013)] and in an eprint by Ford (arXiv:1310.0871 [nucl-th]). The prescriptions for extrapolating these amplitudes for one nucleon off-shell in the initial state are presented. Application of these amplitudes to calculations of deuteron electrodisintegration are presented and compared to the limited available precision data in the kinematical region covered by the Regge model.

  15. Dynamical equilibration of strongly interacting ``infinite'' parton matter within the parton-hadron-string dynamics transport approach

    NASA Astrophysics Data System (ADS)

    Ozvenchuk, V.; Linnyk, O.; Gorenstein, M. I.; Bratkovskaya, E. L.; Cassing, W.

    2013-02-01

    We study the kinetic and chemical equilibration in “infinite” parton matter within the parton-hadron-string dynamics off-shell transport approach, which is based on a dynamical quasiparticle model (DQPM) for partons matched to reproduce lattice QCD results—including the partonic equation of state—in thermodynamic equilibrium. The “infinite” parton matter is simulated by a system of quarks and gluons within a cubic box with periodic boundary conditions, at various energy densities, initialized out of kinetic and chemical equilibrium. We investigate the approach of the system to equilibrium and the time scales for the equilibration of different observables. We, furthermore, study particle distributions in the strongly interacting quark-gluon plasma (sQGP) including partonic spectral functions, momentum distributions, abundances of the different parton species, and their fluctuations (scaled variance, skewness, and kurtosis) in equilibrium. We also compare the results of the microscopic calculations with the ansatz of the DQPM. It is found that the results of the transport calculations are in equilibrium well matched by the DQPM for quarks and antiquarks, while the gluon spectral function shows a slightly different shape due to the mass dependence of the gluon width generated by the explicit interactions of partons. The time scales for the relaxation of fluctuation observables are found to be shorter than those for the average values. Furthermore, in the local subsystem, a strong change of the fluctuation observables with the size of the local volume is observed. These fluctuations no longer correspond to those of the full system and are reduced to Poissonian distributions when the volume of the local subsystem becomes small.

  16. Systemic Analysis Approaches for Air Transportation

    NASA Technical Reports Server (NTRS)

    Conway, Sheila

    2005-01-01

    Air transportation system designers have had only limited success using traditional operations research and parametric modeling approaches in their analyses of innovations. They need a systemic methodology for modeling of safety-critical infrastructure that is comprehensive, objective, and sufficiently concrete, yet simple enough to be used with reasonable investment. The methodology must also be amenable to quantitative analysis so issues of system safety and stability can be rigorously addressed. However, air transportation has proven itself an extensive, complex system whose behavior is difficult to describe, no less predict. There is a wide range of system analysis techniques available, but some are more appropriate for certain applications than others. Specifically in the area of complex system analysis, the literature suggests that both agent-based models and network analysis techniques may be useful. This paper discusses the theoretical basis for each approach in these applications, and explores their historic and potential further use for air transportation analysis.

  17. Optically active N-acetyldopamine dimer of the crude drug "Zentai," the cast-off shell of the Cicada, Cryptotympana sp.

    PubMed

    Noda, N; Kubota, S; Miyata, Y; Miyahara, K

    2000-11-01

    Two optically active N-acetyldopamine dimers together with four phenolic monomers were isolated from the crude drug "Zentai," a cast-off shell of the cicada of Cryptotympana sp. (Cicadidae). The former two were 2-(3',4'-dihydroxyphenyl)-1,4-benzodioxane derivatives carrying substituents at the 3 and 6 (or 7) positions, which are known to be components of sclerotized insect cuticles. Their structures including absolute configurations were determined on the basis of NMR and circular dichroism (CD) spectroscopic data.

  18. Heuristic Optimization Approach to Selecting a Transport Connection in City Public Transport

    NASA Astrophysics Data System (ADS)

    Kul'ka, Jozef; Mantič, Martin; Kopas, Melichar; Faltinová, Eva; Kachman, Daniel

    2017-02-01

    The article presents a heuristic optimization approach to select a suitable transport connection in the framework of a city public transport. This methodology was applied on a part of the public transport in Košice, because it is the second largest city in the Slovak Republic and its network of the public transport creates a complex transport system, which consists of three different transport modes, namely from the bus transport, tram transport and trolley-bus transport. This solution focused on examining the individual transport services and their interconnection in relevant interchange points.

  19. Constraints on the off-shell Higgs boson signal strength in the high-mass ZZ and WW final states with the ATLAS detector.

    PubMed

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Stavina, P; Steinberg, P; Stelzer, B; Stelzer, H J; Stelzer-Chilton, O; Stenzel, H; Stern, S; Stewart, G A; Stillings, J A; Stockton, M C; Stoebe, M; Stoicea, G; Stolte, P; Stonjek, S; Stradling, A R; Straessner, A; Stramaglia, M E; Strandberg, J; Strandberg, S; Strandlie, A; Strauss, E; Strauss, M; Strizenec, P; Ströhmer, R; Strom, D M; Stroynowski, R; Strubig, A; Stucci, S A; Stugu, B; Styles, N A; Su, D; Su, J; Subramaniam, R; Succurro, A; Sugaya, Y; Suhr, C; Suk, M; Sulin, V V; Sultansoy, S; Sumida, T; Sun, S; Sun, X; Sundermann, J E; Suruliz, K; Susinno, G; Sutton, M R; Suzuki, S; Suzuki, Y; Svatos, M; Swedish, S; Swiatlowski, M; Sykora, I; Sykora, T; Ta, D; Taccini, C; Tackmann, K; Taenzer, J; Taffard, A; Tafirout, R; Taiblum, N; Takai, H; Takashima, R; Takeda, H; Takeshita, T; Takubo, Y; Talby, M; Talyshev, A A; Tam, J Y C; Tan, K G; Tanaka, J; Tanaka, R; Tanaka, S; Tanaka, S; Tannenwald, B B; Tannoury, N; Tapprogge, S; Tarem, S; Tarrade, F; Tartarelli, G F; Tas, P; Tasevsky, M; Tashiro, T; Tassi, E; Tavares Delgado, A; Tayalati, Y; Taylor, F E; Taylor, G N; Taylor, W; Teischinger, F A; Teixeira Dias Castanheira, M; Teixeira-Dias, P; Temming, K K; Ten Kate, H; Teng, P K; Teoh, J J; Tepel, F; Terada, S; Terashi, K; Terron, J; Terzo, S; Testa, M; Teuscher, R J; Therhaag, J; Theveneaux-Pelzer, T; Thomas, J P; Thomas-Wilsker, J; Thompson, E N; Thompson, P D; Thompson, R J; Thompson, A S; Thomsen, L A; Thomson, E; Thomson, M; Thun, R P; Tibbetts, M J; Torres, R E Ticse; Tikhomirov, V O; Tikhonov, Yu A; Timoshenko, S; Tiouchichine, E; Tipton, P; Tisserant, S; Todorov, T; Todorova-Nova, S; Tojo, J; Tokár, S; Tokushuku, K; Tollefson, K; Tolley, E; Tomlinson, L; Tomoto, M; Tompkins, L; Toms, K; Torrence, E; Torres, H; Torró Pastor, E; Toth, J; Touchard, F; Tovey, D R; Trefzger, T; Tremblet, L; Tricoli, A; Trigger, I M; Trincaz-Duvoid, S; Tripiana, M F; Trischuk, W; Trocmé, B; Troncon, C; Trottier-McDonald, M; Trovatelli, M; True, P; Trzebinski, M; Trzupek, A; Tsarouchas, C; Tseng, J C-L; Tsiareshka, P V; Tsionou, D; Tsipolitis, G; Tsirintanis, N; Tsiskaridze, S; Tsiskaridze, V; Tskhadadze, E G; Tsukerman, I I; Tsulaia, V; Tsuno, S; Tsybychev, D; Tudorache, A; Tudorache, V; Tuna, A N; Tupputi, S A; Turchikhin, S; Turecek, D; Turra, R; Turvey, A J; Tuts, P M; Tykhonov, A; Tylmad, M; Tyndel, M; Ueda, I; Ueno, R; Ughetto, M; Ugland, M; Uhlenbrock, M; Ukegawa, F; Unal, G; Undrus, A; Unel, G; Ungaro, F C; Unno, Y; Unverdorben, C; Urban, J; Urquijo, P; Urrejola, P; Usai, G; Usanova, A; Vacavant, L; Vacek, V; Vachon, B; Valderanis, C; Valencic, N; Valentinetti, S; Valero, A; Valery, L; Valkar, S; Valladolid Gallego, E; Vallecorsa, S; Valls Ferrer, J A; Van Den Wollenberg, W; Van Der Deijl, P C; van der Geer, R; van der Graaf, H; Van Der Leeuw, R; van Eldik, N; van Gemmeren, P; Van Nieuwkoop, J; van Vulpen, I; van Woerden, M C; Vanadia, M; Vandelli, W; Vanguri, R; Vaniachine, A; Vannucci, F; Vardanyan, G; Vari, R; Varnes, E W; Varol, T; Varouchas, D; Vartapetian, A; Varvell, K E; Vazeille, F; Vazquez Schroeder, T; Veatch, J; Veloso, F; Velz, T; Veneziano, S; Ventura, A; Ventura, D; Venturi, M; Venturi, N; Venturini, A; Vercesi, V; Verducci, M; Verkerke, W; Vermeulen, J C; Vest, A; Vetterli, M C; Viazlo, O; Vichou, I; Vickey, T; Vickey Boeriu, O E; Viehhauser, G H A; Viel, S; Vigne, R; Villa, M; Villaplana Perez, M; Vilucchi, E; Vincter, M G; Vinogradov, V B; Vivarelli, I; Vives Vaque, F; Vlachos, S; Vladoiu, D; Vlasak, M; Vogel, M; Vokac, P; Volpi, G; Volpi, M; von der Schmitt, H; von Radziewski, H; von Toerne, E; Vorobel, V; Vorobev, K; Vos, M; Voss, R; Vossebeld, J H; Vranjes, N; Vranjes Milosavljevic, M; Vrba, V; Vreeswijk, M; Vuillermet, R; Vukotic, I; Vykydal, Z; Wagner, P; Wagner, W; Wahlberg, H; Wahrmund, S; Wakabayashi, J; Walder, J; Walker, R; Walkowiak, W; Wang, C; Wang, F; Wang, H; Wang, H; Wang, J; Wang, J; Wang, K; Wang, R; Wang, S M; Wang, T; Wang, X; Wanotayaroj, C; Warburton, A; Ward, C P; Wardrope, D R; Warsinsky, M; Washbrook, A; Wasicki, C; Watkins, P M; Watson, A T; Watson, I J; Watson, M F; Watts, G; Watts, S; Waugh, B M; Webb, S; Weber, M S; Weber, S W; Webster, J S; Weidberg, A R; Weinert, B; Weingarten, J; Weiser, C; Weits, H; Wells, P S; Wenaus, T; Wengler, T; Wenig, S; Wermes, N; Werner, M; Werner, P; Wessels, M; Wetter, J; Whalen, K; Wharton, A M; White, A; White, M J; White, R; White, S; Whiteson, D; Wickens, F J; Wiedenmann, W; Wielers, M; Wienemann, P; Wiglesworth, C; Wiik-Fuchs, L A M; Wildauer, A; Wilkens, H G; Williams, H H; Williams, S; Willis, C; Willocq, S; Wilson, A; Wilson, J A; Wingerter-Seez, I; Winklmeier, F; Winter, B T; Wittgen, M; Wittkowski, J; Wollstadt, S J; Wolter, M W; Wolters, H; Wosiek, B K; Wotschack, J; Woudstra, M J; Wozniak, K W; Wu, M; Wu, M; Wu, S L; Wu, X; Wu, Y; Wyatt, T R; Wynne, B M; Xella, S; Xu, D; Xu, L; Yabsley, B; Yacoob, S; Yakabe, R; Yamada, M; Yamaguchi, Y; Yamamoto, A; Yamamoto, S; Yamanaka, T; Yamauchi, K; Yamazaki, Y; Yan, Z; Yang, H; Yang, H; Yang, Y; Yao, L; Yao, W-M; Yasu, Y; Yatsenko, E; Yau Wong, K H; Ye, J; Ye, S; Yeletskikh, I; Yen, A L; Yildirim, E; Yorita, K; Yoshida, R; Yoshihara, K; Young, C; Young, C J S; Youssef, S; Yu, D R; Yu, J; Yu, J M; Yu, J; Yuan, L; Yurkewicz, A; Yusuff, I; Zabinski, B; Zaidan, R; Zaitsev, A M; Zalieckas, J; Zaman, A; Zambito, S; Zanello, L; Zanzi, D; Zeitnitz, C; Zeman, M; Zemla, A; Zengel, K; Zenin, O; Ženiš, T; Zerwas, D; Zhang, D; Zhang, F; Zhang, J; Zhang, L; Zhang, R; Zhang, X; Zhang, Z; Zhao, X; Zhao, Y; Zhao, Z; Zhemchugov, A; Zhong, J; Zhou, B; Zhou, C; Zhou, L; Zhou, L; Zhou, N; Zhu, C G; Zhu, H; Zhu, J; Zhu, Y; Zhuang, X; Zhukov, K; Zibell, A; Zieminska, D; Zimine, N I; Zimmermann, C; Zimmermann, R; Zimmermann, S; Zinonos, Z; Zinser, M; Ziolkowski, M; Živković, L; Zobernig, G; Zoccoli, A; Zur Nedden, M; Zurzolo, G; Zwalinski, L

    Measurements of the ZZ and WW final states in the mass range above the [Formula: see text] and [Formula: see text] thresholds provide a unique opportunity to measure the off-shell coupling strength of the Higgs boson. This paper presents constraints on the off-shell Higgs boson event yields normalised to the Standard Model prediction (signal strength) in the [Formula: see text], [Formula: see text] and [Formula: see text] final states. The result is based on pp collision data collected by the ATLAS experiment at the LHC, corresponding to an integrated luminosity of 20.3 fb[Formula: see text] at a collision energy of [Formula: see text] TeV. Using the [Formula: see text] method, the observed 95 [Formula: see text] confidence level (CL) upper limit on the off-shell signal strength is in the range 5.1-8.6, with an expected range of 6.7-11.0. In each case the range is determined by varying the unknown [Formula: see text] and [Formula: see text] background K-factor from higher-order quantum chromodynamics corrections between half and twice the value of the known signal K-factor. Assuming the relevant Higgs boson couplings are independent of the energy scale of the Higgs boson production, a combination with the on-shell measurements yields an observed (expected) 95 [Formula: see text] CL upper limit on [Formula: see text] in the range 4.5-7.5 (6.5-11.2) using the same variations of the background K-factor. Assuming that the unknown [Formula: see text] background K-factor is equal to the signal K-factor, this translates into an observed (expected) 95 [Formula: see text] CL upper limit on the Higgs boson total width of 22.7 (33.0) MeV.

  20. Subsurface Flow and Transport: A Stochastic Approach

    NASA Astrophysics Data System (ADS)

    Desbarats, Alexandre

    Anyone who has examined core or petrophysical logs from well bores has wondered at the rhythmic successions of sedimentary fades and has puzzled at their sudden disruption or reappearance. Such wonderment is no doubt shared by those who have stood at a quarry face gazing up at the intricate hierarchy of depositional patterns and the varied textures of sediments. A fortunate few have even slogged along a mine drift and observed at close hand the perplexing relationship between the geological fabric of a rock mass and occurrences of groundwater inflow. Happily, the heterogeneity of geological materials is now widely recognized and efforts over the last 20 years have been concerned with its incorporation into models of fluid flow and solute transport in the subsurface. These research efforts are, at least in part, driven by acute societal concerns over the contamination of groundwater resources and proposed plans for the disposal of nuclear and other toxic wastes in the subsurface.

  1. Fully analytical O( α s ) results for on-shell and off-shell polarized W-boson decays into massive quark pairs

    NASA Astrophysics Data System (ADS)

    Groote, S.; Körner, J. G.; Tuvike, P.

    2013-05-01

    We provide analytical O( α s ) results for the three polarized decay structure functions H ++, H 00 and H - that describe the decay of a polarized W boson into massive quark-antiquark pairs. As an application we consider the decay t→ b+ W + involving the helicity fractions ρ mm of the W + boson followed by the polarized decay W+(\\uparrow)to q1bar{q}2 described by the polarized decay structure functions H mm . We thereby determine the O( α s ) polar angle decay distribution of the cascade decay process tto b+W+(to q1bar{q}2). As a second example we analyze quark mass and off-shell effects in the cascade decays Hto W-+W^{ast+}(to q1bar{q}2) and Hto Z+Z^{ast}(to qbar{q}). For the decays Hto W-+W^{ast+}(to cbar{b}) and Hto Z+Z^{ast}(to bbar{b}) we find substantial deviations from the mass-zero approximation in particular in the vicinity of the threshold region.

  2. The off-shell axial anomaly via the {gamma}*{pi}{sup 0}{yields}{gamma} transition

    SciTech Connect

    Roberts, C.D.; Frank, M.R.; Mitchell, K.L.; Tandy, P.C.

    1995-08-01

    The {gamma}*{pi}{sup 0} {yields} {gamma} form factor, F{sup {pi}0{gamma}{gamma}}(s), including the extension off the pion mass-shell, is calculated in generalized impulse approximation within the Dyson-Schwinger Equation framework used to provide an excellent description of the pion charge form factor, described above. This anomalous process is a fundamentally important characteristic of the quantum field theoretical structure of QCD because it signals the breaking of the U{sub A}(1) symmetry by quantization. This form factor was measured by the CELLO collaboration at the PETRA storage ring using the process e{sup +}e{sup -} {yields} e{sup +}e{sup -} {pi}{sup 0}. There is a letter-of-intent at CEBAF to remeasure this form factor in virtual Compton scattering from a proton target. In this case a (virtual) pion is supplied by the target and a final real photon selected through the excellent missing mass spectrometry available at CEBAF. An extrapolation to the pion mass shell will be needed to deduce the physical transition form factor. Our calculation shows that the dependence on the virtual-pion momentum is smooth and well described by a simple suppression factor, which is qualitatively independent of the details of the pion interpolating field. The correct mass-shell value of this form factor is naturally generated in our approach and the q{sup 2} dependence is in accord with the available CELLO data. No parameters are adjusted to achieve this; the are fixed at the values derived in the study of F{sub {pi}}(q{sup 2}). A significant result of our study is that for this anomalous process, soft nonperturbative effects remain significant for Q{sup 2} < 20 GeV{sup 2}. A paper describing this work was submitted for publication.

  3. Synthesized voice approach callouts for air transport operations

    NASA Technical Reports Server (NTRS)

    Simpson, C. A.

    1980-01-01

    A flight simulation experiment was performed to determine the effectiveness of synthesized voice approach callouts for air transport operations. Flight deck data was first collected on scheduled air carrier operations to describe existing pilot-not-flying callout procedures in the flight context and to document the types and amounts of other auditory cockpit information during different types of air carrier operations. A flight simulation scenario for a wide-body jet transport airline training simulator was developed in collaboration with a major U.S. air carrier and flown by three-man crews of qualified line pilots as part of their normally scheduled recurrent training. Each crew flew half their approaches using the experimental synthesized voice approach callout system (SYNCALL) and the other half using the company pilot-not-flying approach callout procedures (PNF). Airspeed and sink rate performance was better with the SYNCALL system than with the PNF system for non-precision approaches. For the one-engine approach, for which SYNCALL made inappropriate deviation callouts, airspeed performance was worse with SYNCALL than with PNF. Reliability of normal altitude approach callouts was comparable for PNF on the line and in the simulator and for SYNCALL in the simulator.

  4. Applying electrical utility least-cost approach to transportation planning

    SciTech Connect

    McCoy, G.A.; Growdon, K.; Lagerberg, B.

    1994-09-01

    Members of the energy and environmental communities believe that parallels exist between electrical utility least-cost planning and transportation planning. In particular, the Washington State Energy Strategy Committee believes that an integrated and comprehensive transportation planning process should be developed to fairly evaluate the costs of both demand-side and supply-side transportation options, establish competition between different travel modes, and select the mix of options designed to meet system goals at the lowest cost to society. Comparisons between travel modes are also required under the Intermodal Surface Transportation Efficiency Act (ISTEA). ISTEA calls for the development of procedures to compare demand management against infrastructure investment solutions and requires the consideration of efficiency, socioeconomic and environmental factors in the evaluation process. Several of the techniques and approaches used in energy least-cost planning and utility peak demand management can be incorporated into a least-cost transportation planning methodology. The concepts of avoided plants, expressing avoidable costs in levelized nominal dollars to compare projects with different on-line dates and service lives, the supply curve, and the resource stack can be directly adapted from the energy sector.

  5. Monte Carlo path sampling approach to modeling aeolian sediment transport

    NASA Astrophysics Data System (ADS)

    Hardin, E. J.; Mitasova, H.; Mitas, L.

    2011-12-01

    Coastal communities and vital infrastructure are subject to coastal hazards including storm surge and hurricanes. Coastal dunes offer protection by acting as natural barriers from waves and storm surge. During storms, these landforms and their protective function can erode; however, they can also erode even in the absence of storms due to daily wind and waves. Costly and often controversial beach nourishment and coastal construction projects are common erosion mitigation practices. With a more complete understanding of coastal morphology, the efficacy and consequences of anthropogenic activities could be better predicted. Currently, the research on coastal landscape evolution is focused on waves and storm surge, while only limited effort is devoted to understanding aeolian forces. Aeolian transport occurs when the wind supplies a shear stress that exceeds a critical value, consequently ejecting sand grains into the air. If the grains are too heavy to be suspended, they fall back to the grain bed where the collision ejects more grains. This is called saltation and is the salient process by which sand mass is transported. The shear stress required to dislodge grains is related to turbulent air speed. Subsequently, as sand mass is injected into the air, the wind loses speed along with its ability to eject more grains. In this way, the flux of saltating grains is itself influenced by the flux of saltating grains and aeolian transport becomes nonlinear. Aeolian sediment transport is difficult to study experimentally for reasons arising from the orders of magnitude difference between grain size and dune size. It is difficult to study theoretically because aeolian transport is highly nonlinear especially over complex landscapes. Current computational approaches have limitations as well; single grain models are mathematically simple but are computationally intractable even with modern computing power whereas cellular automota-based approaches are computationally efficient

  6. Fluid-rock interaction: A reactive transport approach

    SciTech Connect

    Steefel, C.; Maher, K.

    2009-04-01

    Fluid-rock interaction (or water-rock interaction, as it was more commonly known) is a subject that has evolved considerably in its scope over the years. Initially its focus was primarily on interactions between subsurface fluids of various temperatures and mostly crystalline rocks, but the scope has broadened now to include fluid interaction with all forms of subsurface materials, whether they are unconsolidated or crystalline ('fluid-solid interaction' is perhaps less euphonious). Disciplines that previously carried their own distinct names, for example, basin diagenesis, early diagenesis, metamorphic petrology, reactive contaminant transport, chemical weathering, are now considered to fall under the broader rubric of fluid-rock interaction, although certainly some of the key research questions differ depending on the environment considered. Beyond the broadening of the environments considered in the study of fluid-rock interaction, the discipline has evolved in perhaps an even more important way. The study of water-rock interaction began by focusing on geochemical interactions in the absence of transport processes, although a few notable exceptions exist (Thompson 1959; Weare et al. 1976). Moreover, these analyses began by adopting a primarily thermodynamic approach, with the implicit or explicit assumption of equilibrium between the fluid and rock. As a result, these early models were fundamentally static rather than dynamic in nature. This all changed with the seminal papers by Helgeson and his co-workers (Helgeson 1968; Helgeson et al. 1969) wherein the concept of an irreversible reaction path was formally introduced into the geochemical literature. In addition to treating the reaction network as a dynamically evolving system, the Helgeson studies introduced an approach that allowed for the consideration of a multicomponent geochemical system, with multiple minerals and species appearing as both reactants and products, at least one of which could be

  7. The evolution of water transport in plants: an integrated approach.

    PubMed

    Pittermann, J

    2010-03-01

    This review examines the evolution of the plant vascular system from its beginnings in the green algae to modern arborescent plants, highlighting the recent advances in developmental, organismal, geochemical and climatological research that have contributed to our understanding of the evolution of xylem. Hydraulic trade-offs in vascular structure-function are discussed in the context of canopy support and drought and freeze-thaw stress resistance. This qualitative and quantitative neontological approach to palaeobotany may be useful for interpreting the water-transport efficiencies and hydraulic limits in fossil plants. Large variations in atmospheric carbon dioxide levels are recorded in leaf stomatal densities, and may have had profound impacts on the water conservation strategies of ancient plants. A hypothesis that links vascular function with stomatal density is presented and examined in the context of the evolution of wood and/or vessels. A discussion of the broader impacts of plant transport on hydrology and climate concludes this review.

  8. Reactive Gas transport in soil: Kinetics versus Local Equilibrium Approach

    NASA Astrophysics Data System (ADS)

    Geistlinger, Helmut; Jia, Ruijan

    2010-05-01

    Gas transport through the unsaturated soil zone was studied using an analytical solution of the gas transport model that is mathematically equivalent to the Two-Region model. The gas transport model includes diffusive and convective gas fluxes, interphase mass transfer between the gas and water phase, and biodegradation. The influence of non-equilibrium phenomena, spatially variable initial conditions, and transient boundary conditions are studied. The objective of this paper is to compare the kinetic approach for interphase mass transfer with the standard local equilibrium approach and to find conditions and time-scales under which the local equilibrium approach is justified. The time-scale of investigation was limited to the day-scale, because this is the relevant scale for understanding gas emission from the soil zone with transient water saturation. For the first time a generalized mass transfer coefficient is proposed that justifies the often used steady-state Thin-Film mass transfer coefficient for small and medium water-saturated aggregates of about 10 mm. The main conclusion from this study is that non-equilibrium mass transfer depends strongly on the temporal and small-scale spatial distribution of water within the unsaturated soil zone. For regions with low water saturation and small water-saturated aggregates (radius about 1 mm) the local equilibrium approach can be used as a first approximation for diffusive gas transport. For higher water saturation and medium radii of water-saturated aggregates (radius about 10 mm) and for convective gas transport, the non-equilibrium effect becomes more and more important if the hydraulic residence time and the Damköhler number decrease. Relative errors can range up to 100% and more. While for medium radii the local equilibrium approach describes the main features both of the spatial concentration profile and the time-dependence of the emission rate, it fails completely for larger aggregates (radius about 100 mm

  9. Approach to an Affordable and Sustainable Space Transportation System

    NASA Technical Reports Server (NTRS)

    McCleskey, Caey M.; Rhodes, R. E.; Robinson, J. W.; Henderson, E. M.

    2012-01-01

    This paper describes an approach and a general procedure for creating space transportation architectural concepts that are at once affordable and sustainable. Previous papers by the authors and other members of the Space Propulsion Synergy Team (SPST) focused on a functional system breakdown structure for an architecture and definition of high-payoff design techniques with a technology integration strategy. This paper follows up by using a structured process that derives architectural solutions focused on achieving life cycle affordability and sustainability. Further, the paper includes an example concept that integrates key design techniques discussed in previous papers. !

  10. A transport level approach for TCP to support differentiated services

    NASA Astrophysics Data System (ADS)

    Xian, Yong-Ju; Tao, Yang; Xu, Chang-Biao

    2004-04-01

    Recently, there is an increasing interests in providing differentiated services in Internet. However, research efforts have almost exclusively focused on routers by improving their policies of packet scheduling and queue management. There has been much less work on transport level approaches to support differentiated services. The mechanism presented by Chang-Biao Xu, DSAS-TCP and MulTCP are the only pieces of the works in this direction known to the authors. Up to now, there is no paper to discuss the interrelation between these mechanisms. Regarding throughput as TCP criteria to support proportional-differentiated-services (PDS), this paper deeply explores the variants of AIMD(a,b)-based TCP congestion control and their effect on differentiated services, and presents a transport level approach for TCP to support PDS, namely PDS_TCP which can be obtained by introducing weighted factor to a or b of AIMD(a,b)-based TCP congestion control. PDS_TCP also takes into account the influence of slow start for timeout. From the analysis, this paper draws the conclusion that the existing mechanisms are only variants of PDS_TCP. For the example of PDS_TCP, the principles, implementation and simulation results of PDS_a_TCP are discussed in detail. The theory analysis and simulation results show that the proposed mechanism PDS_TCP can be implemented with lower additional overheads and support controlled PDS very well without the loss of flexibility.

  11. Approach to an Affordable and Productive Space Transportation System

    NASA Technical Reports Server (NTRS)

    McCleskey, Carey M.; Rhodes, Russel E.; Lepsch, Roger A.; Henderson, Edward M.; Robinson, John W.

    2012-01-01

    This paper describes an approach for creating space transportation architectures that are affordable, productive, and sustainable. The architectural scope includes both flight and ground system elements, and focuses on their compatibility to achieve a technical solution that is operationally productive, and also affordable throughout its life cycle. Previous papers by the authors and other members of the Space Propulsion Synergy Team (SPST) focused on space flight system engineering methods, along with operationally efficient propulsion system concepts and technologies. This paper follows up previous work by using a structured process to derive examples of conceptual architectures that integrate a number of advanced concepts and technologies. The examples are not intended to provide a near-term alternative architecture to displace current near-term design and development activity. Rather, the examples demonstrate an approach that promotes early investments in advanced system concept studies and trades (flight and ground), as well as in advanced technologies with the goal of enabling highly affordable, productive flight and ground space transportation systems.

  12. Search for Higgs boson off-shell production in proton-proton collisions at 7 and 8 TeV and derivation of constraints on its total decay width

    NASA Astrophysics Data System (ADS)

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; de Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; van de Klundert, M.; van Haevermaet, H.; van Mechelen, P.; van Remortel, N.; van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; de Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; van Doninck, W.; van Mulders, P.; van Parijs, I.; Brun, H.; Caillol, C.; Clerbaux, B.; de Lentdecker, G.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Maerschalk, T.; Marinov, A.; Randle-Conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Yonamine, R.; Zenoni, F.; Zhang, F.; Benucci, L.; Cimmino, A.; Crucy, S.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; McCartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva, S.; Sigamani, M.; Tytgat, M.; van Driessche, W.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; Ceard, L.; de Visscher, S.; Delaere, C.; Delcourt, M.; Favart, D.; Forthomme, L.; Giammanco, A.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Mertens, A.; Musich, M.; Nuttens, C.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Beliy, N.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hamer, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; da Costa, E. M.; de Jesus Damiao, D.; de Oliveira Martins, C.; Fonseca de Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; de Souza Santos, A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Leggat, D.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Micanovic, S.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Assran, Y.; Ellithi Kamel, A.; Mahrous, A.; Radi, A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Peltola, T.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Merlin, J. A.; Skovpen, K.; van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Bouvier, E.; Carrillo Montoya, C. A.; Chierici, R.

    2016-09-01

    A search is presented for the Higgs boson off-shell production in gluon fusion and vector boson fusion processes with the Higgs boson decaying into a W+W- pair and the W bosons decaying leptonically. The data observed in this analysis are used to constrain the Higgs boson total decay width. The analysis is based on the data collected by the CMS experiment at the LHC, corresponding to integrated luminosities of 4.9 fb-1 at a centre-of-mass energy of 7 TeV and 19.4 fb-1 at 8 TeV, respectively. An observed (expected) upper limit on the off-shell Higgs boson event yield normalised to the standard model prediction of 2.4 (6.2) is obtained at the 95% CL for the gluon fusion process and of 19.3 (34.4) for the vector boson fusion process. Observed and expected limits on the total width of 26 and 66 MeV are found, respectively, at the 95% confidence level (CL). These limits are combined with the previous result in the ZZ channel leading to observed and expected 95% CL upper limits on the width of 13 and 26 MeV, respectively. [Figure not available: see fulltext.

  13. Search for Higgs boson off-shell production in proton-proton collisions at 7 and 8 TeV and derivation of constraints on its total decay width

    DOE PAGES

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

    2016-09-09

    A search is presented for the Higgs boson off-shell production in gluon fusion and vector boson fusion processes with the Higgs boson decaying into a WW pair and the W bosons decaying leptonically. The data observed in this analysis are used to constrain the Higgs boson total decay width. The analysis is based on the data collected by the CMS experiment at the LHC, corresponding to integrated luminosities of 4.9 inverse femtobarns at a centre-of-mass energy of 7 TeV and 19.4 inverse femtobarns at 8 TeV, respectively. An observed (expected) upper limit on the off-shell Higgs boson event yield normalisedmore » to the standard model prediction of 2.4 (6.2) is obtained at the 95% CL for the gluon fusion process and of 19.3 (34.4) for the vector boson fusion process. Observed and expected limits on the total width of 26 and 66 MeV are found, respectively, at the 95% confidence level (CL). These limits are combined with the previous result in the ZZ channel leading to observed and expected 95% CL upper limits on the width of 13 and 26 MeV, respectively.« less

  14. Search for Higgs boson off-shell production in proton-proton collisions at 7 and 8 TeV and derivation of constraints on its total decay width

    SciTech Connect

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Knünz, V.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C. -E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D’Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Van Parijs, I.; Barria, P.; Brun, H.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Fasanella, G.; Favart, L.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Maerschalk, T.; Marinov, A.; Perniè, L.; Randle-conde, A.; Reis, T.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Yonamine, R.; Zenoni, F.; Zhang, F.; Beernaert, K.; Benucci, L.; Cimmino, A.; Crucy, S.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; Mccartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva, S.; Sigamani, M.; Strobbe, N.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Mertens, A.; Musich, M.; Nuttens, C.; Perrini, L.; Pin, A.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Beliy, N.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hamer, M.; Hensel, C.; Mora Herrera, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; De Souza Santos, A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Micanovic, S.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Bodlak, M.; Finger, M.; Finger, M.; Assran, Y.; El Sawy, M.; Elgammal, S.; Ellithi Kamel, A.; Mahmoud, M. A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Dahms, T.; Davignon, O.; Filipovic, N.; Florent, A.; Granier de Cassagnac, R.; Lisniak, S.; Mastrolorenzo, L.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sauvan, J. 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M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weber, M.; Weiler, T.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Bencze, G.; Hajdu, C.; Hazi, A.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Szillasi, Z.; Bartók, M.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Mal, P.; Mandal, K.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.; Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. B.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Nishu, N.; Ranjan, K.; Sharma, R.; Sharma, V.; Bhattacharya, S.; Chatterjee, K.; Dey, S.; Dutta, S.; Jain, Sa.; Majumdar, N.; Modak, A.; Mondal, K.; Mukherjee, S.; Mukhopadhyay, S.; Roy, A.; Roy, D.; Roy Chowdhury, S.; Sarkar, S.; Sharan, M.; Abdulsalam, A.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Mahakud, B.; Maity, M.; Majumder, G.; Mazumdar, K.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sarkar, T.; Sur, N.; Sutar, B.; Wickramage, N.; Chauhan, S.; Dube, S.; Sharma, S.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D’Alessandro, R.; Focardi, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Viliani, L.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Primavera, F.; Calvelli, V.; Ferro, F.; Vetere, M. Lo; Monge, M. R.; Robutti, E.; Tosi, S.; Brianza, L.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Malvezzi, S.; Manzoni, R. A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; Di Guida, S.; Esposito, M.; Fabozzi, F.; Iorio, A. O. M.; Lanza, G.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Branca, A.; Carlin, R.; Checchia, P.; Dall’Osso, M.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Ventura, S.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Braghieri, A.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell’Orso, R.; Donato, S.; Fedi, G.; Foà, L.; Giassi, A.; Grippo, M. 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W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Dahmes, B.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Monroy, J.; Ratnikov, F.; Siado, J. E.; Snow, G. R.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R. -J.; Wood, D.; Zhang, J.; Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Trovato, M.; Velasco, M.; Brinkerhoff, A.; Dev, N.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Pearson, T.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Kotov, K.; Ling, T. Y.; Liu, B.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Malik, S.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, K.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Harel, A.; Hindrichs, O.; Khukhunaishvili, A.; Petrillo, G.; Tan, P.; Verzetti, M.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Lath, A.; Nash, K.; Panwalkar, S.; Park, M.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Foerster, M.; Riley, G.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Kamon, T.; Krutelyov, V.; Mueller, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Ni, H.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Sun, X.; Wang, Y.; Wolfe, E.; Wood, J.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Gomber, B.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Sarangi, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

    2016-09-09

    A search is presented for the Higgs boson off-shell production in gluon fusion and vector boson fusion processes with the Higgs boson decaying into a WW pair and the W bosons decaying leptonically. The data observed in this analysis are used to constrain the Higgs boson total decay width. The analysis is based on the data collected by the CMS experiment at the LHC, corresponding to integrated luminosities of 4.9 inverse femtobarns at a centre-of-mass energy of 7 TeV and 19.4 inverse femtobarns at 8 TeV, respectively. An observed (expected) upper limit on the off-shell Higgs boson event yield normalised to the standard model prediction of 2.4 (6.2) is obtained at the 95% CL for the gluon fusion process and of 19.3 (34.4) for the vector boson fusion process. Observed and expected limits on the total width of 26 and 66 MeV are found, respectively, at the 95% confidence level (CL). These limits are combined with the previous result in the ZZ channel leading to observed and expected 95% CL upper limits on the width of 13 and 26 MeV, respectively.

  15. A Linear Systems Approach to Segmented Watershed Contaminant Transport

    NASA Astrophysics Data System (ADS)

    Carleton, J. N.

    2013-12-01

    The U.S. Environmental Protection Agency (USEPA) employs simulation models to estimate concentrations of pesticide residues in surface waters for risk assessment. These models have historically been used to simulate runoff loadings from homogeneous landscapes to isolated, well-mixed lentic systems that generically represent vulnerable waters. Recent efforts to refine this approach in terms of realism and geographic specificity have focused on enhancing the level of detail of the landscape representation, rather than that of receiving water hydrology. Linear systems theory and transfer function based approaches have been applied by various investigators to the representation of contaminant leaching through soils, and to surface water hydrology (e.g., unit hydrographs), but rarely to contaminant transport either within surface waters, or through multi-compartment systems such as stream networks. This poster describes a straightforward approach to simulating watersheds as segmented into collections of linked water bodies. The approach employs convolution integrals, impulse response functions, and the Discrete Fourier Transform to propagate concentration time series from upstream to downstream locations. Given knowledge only of estimated mean stream residence times, with appropriately-scaled segmentations of catchments, realistic representations of concentration dynamics are shown to be achievable. These representations are based upon high-frequency atrazine monitoring data sets collected over common time periods from upstream and downstream locations within the same small watersheds. Simulated concentrations are shown to match measured concentrations well in both the temporal and spectral domains without the need for calibration, and despite inherent simplifying assumptions such as steady flow. The approach may have utility for enhancing surface water hydrologic representation in contaminant modeling used for regulatory purposes.

  16. An approach to improving transporting velocity in the long-range ultrasonic transportation of micro-particles

    SciTech Connect

    Meng, Jianxin; Mei, Deqing Yang, Keji; Fan, Zongwei

    2014-08-14

    In existing ultrasonic transportation methods, the long-range transportation of micro-particles is always realized in step-by-step way. Due to the substantial decrease of the driving force in each step, the transportation is lower-speed and stair-stepping. To improve the transporting velocity, a non-stepping ultrasonic transportation approach is proposed. By quantitatively analyzing the acoustic potential well, an optimal region is defined as the position, where the largest driving force is provided under the condition that the driving force is simultaneously the major component of an acoustic radiation force. To keep the micro-particle trapped in the optimal region during the whole transportation process, an approach of optimizing the phase-shifting velocity and phase-shifting step is adopted. Due to the stable and large driving force, the displacement of the micro-particle is an approximately linear function of time, instead of a stair-stepping function of time as in the existing step-by-step methods. An experimental setup is also developed to validate this approach. Long-range ultrasonic transportations of zirconium beads with high transporting velocity were realized. The experimental results demonstrated that this approach is an effective way to improve transporting velocity in the long-range ultrasonic transportation of micro-particles.

  17. Filtered density function approach for reactive transport in groundwater

    NASA Astrophysics Data System (ADS)

    Suciu, Nicolae; Schüler, Lennart; Attinger, Sabine; Knabner, Peter

    2016-04-01

    Spatial filtering may be used in coarse-grained simulations (CGS) of reactive transport in groundwater, similar to the large eddy simulations (LES) in turbulence. The filtered density function (FDF), stochastically equivalent to a probability density function (PDF), provides a statistical description of the sub-grid, unresolved, variability of the concentration field. Besides closing the chemical source terms in the transport equation for the mean concentration, like in LES-FDF methods, the CGS-FDF approach aims at quantifying the uncertainty over the whole hierarchy of heterogeneity scales exhibited by natural porous media. Practically, that means estimating concentration PDFs on coarse grids, at affordable computational costs. To cope with the high dimensionality of the problem in case of multi-component reactive transport and to reduce the numerical diffusion, FDF equations are solved by particle methods. But, while trajectories of computational particles are modeled as stochastic processes indexed by time, the concentration's heterogeneity is modeled as a random field, with multi-dimensional, spatio-temporal sets of indices. To overcome this conceptual inconsistency, we consider FDFs/PDFs of random species concentrations weighted by conserved scalars and we show that their evolution equations can be formulated as Fokker-Planck equations describing stochastically equivalent processes in concentration-position spaces. Numerical solutions can then be approximated by the density in the concentration-position space of an ensemble of computational particles governed by the associated Itô equations. Instead of sequential particle methods we use a global random walk (GRW) algorithm, which is stable, free of numerical diffusion, and practically insensitive to the increase of the number of particles. We illustrate the general FDF approach and the GRW numerical solution for a reduced complexity problem consisting of the transport of a single scalar in groundwater

  18. An approach for economic analysis of intermodal transportation.

    PubMed

    Sahin, Bahri; Yilmaz, Huseyin; Ust, Yasin; Guneri, Ali Fuat; Gulsun, Bahadir; Turan, Eda

    2014-01-01

    A different intermodal transportation model based on cost analysis considering technical, economical, and operational parameters is presented. The model consists of such intermodal modes as sea-road, sea-railway, road-railway, and multimode of sea-road-railway. A case study of cargo transportation has been carried out by using the suggested model. Then, the single road transportation mode has been compared to intermodal modes in terms of transportation costs. This comparison takes into account the external costs of intermodal transportation. The research reveals that, in the short distance transportation, single transportation modes always tend to be advantageous. As the transportation distance gets longer, intermodal transportation advantages begin to be effective on the costs. In addition, the proposed method in this study leads to determining the fleet size and capacity for transportation and the appropriate transportation mode.

  19. An Approach for Economic Analysis of Intermodal Transportation

    PubMed Central

    Sahin, Bahri; Ust, Yasin; Guneri, Ali Fuat; Gulsun, Bahadir; Turan, Eda

    2014-01-01

    A different intermodal transportation model based on cost analysis considering technical, economical, and operational parameters is presented. The model consists of such intermodal modes as sea-road, sea-railway, road-railway, and multimode of sea-road-railway. A case study of cargo transportation has been carried out by using the suggested model. Then, the single road transportation mode has been compared to intermodal modes in terms of transportation costs. This comparison takes into account the external costs of intermodal transportation. The research reveals that, in the short distance transportation, single transportation modes always tend to be advantageous. As the transportation distance gets longer, intermodal transportation advantages begin to be effective on the costs. In addition, the proposed method in this study leads to determining the fleet size and capacity for transportation and the appropriate transportation mode. PMID:25152919

  20. Vertical transport by convective clouds: Comparisons of three modeling approaches

    NASA Technical Reports Server (NTRS)

    Pickering, Kenneth E.; Thompson, Anne M.; Tao, Wei-Kuo; Rood, Richard B.; Mcnamara, Donna P.; Molod, Andrea M.

    1995-01-01

    A preliminary comparison of the GEOS-1 (Goddard Earth Observing System) data assimilation system convective cloud mass fluxes with fluxes from a cloud-resolving model (the Goddard Cumulus Ensemble Model, GCE) is reported. A squall line case study (10-11 June 1985 Oklahoma PRESTORM episode) is the basis of the comparison. Regional (central U. S.) monthly total convective mass flux for June 1985 from GEOS-1 compares favorably with estimates from a statistical/dynamical approach using GCE simulations and satellite-derived cloud observations. The GEOS-1 convective mass fluxes produce reasonable estimates of monthly-averaged regional convective venting of CO from the boundary layer at least in an urban-influenced continental region, suggesting that they can be used in tracer transport simulations.

  1. Neutral solute transport across osteochondral interface: A finite element approach.

    PubMed

    Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A

    2016-12-08

    Investigation of the solute transfer across articular cartilage and subchondral bone plate could nurture the understanding of the mechanisms of osteoarthritis (OA) progression. In the current study, we approached the transport of neutral solutes in human (slight OA) and equine (healthy) samples using both computed tomography and biphasic-solute finite element modeling. We developed a multi-zone biphasic-solute finite element model (FEM) accounting for the inhomogeneity of articular cartilage (superficial, middle and deep zones) and subchondral bone plate. Fitting the FEM model to the concentration-time curves of the cartilage and the equilibrium concentration of the subchondral plate/calcified cartilage enabled determination of the diffusion coefficients in the superficial, middle and deep zones of cartilage and subchondral plate. We found slightly higher diffusion coefficients for all zones in the human samples as compared to the equine samples. Generally the diffusion coefficient in the superficial zone of human samples was about 3-fold higher than the middle zone, the diffusion coefficient of the middle zone was 1.5-fold higher than that of the deep zone, and the diffusion coefficient of the deep zone was 1.5-fold higher than that of the subchondral plate/calcified cartilage. Those ratios for equine samples were 9, 2 and 1.5, respectively. Regardless of the species considered, there is a gradual decrease of the diffusion coefficient as one approaches the subchondral plate, whereas the rate of decrease is dependent on the type of species.

  2. Random walk approach for dispersive transport in pipe networks

    NASA Astrophysics Data System (ADS)

    Sämann, Robert; Graf, Thomas; Neuweiler, Insa

    2016-04-01

    Keywords: particle transport, random walk, pipe, network, HYSTEM-EXTAN, OpenGeoSys After heavy pluvial events in urban areas the available drainage system may be undersized at peak flows (Fuchs, 2013). Consequently, rainwater in the pipe network is likely to spill out through manholes. The presence of hazardous contaminants in the pipe drainage system represents a potential risk to humans especially when the contaminated drainage water reaches the land surface. Real-time forecasting of contaminants in the drainage system needs a quick calculation. Numerical models to predict the fate of contaminants are usually based on finite volume methods. Those are not applicable here because of their volume averaging elements. Thus, a more efficient method is preferable, which is independent from spatial discretization. In the present study, a particle-based method is chosen to calculate transport paths and spatial distribution of contaminants within a pipe network. A random walk method for particles in turbulent flow in partially filled pipes has been developed. Different approaches for in-pipe-mixing and node-mixing with respect to the geometry in a drainage network are shown. A comparison of dispersive behavior and calculation time is given to find the fastest model. The HYSTEM-EXTRAN (itwh, 2002) model is used to provide hydrodynamic conditions in the pipe network according to surface runoff scenarios in order to real-time predict contaminant transport in an urban pipe network system. The newly developed particle-based model will later be coupled to the subsurface flow model OpenGeoSys (Kolditz et al., 2012). References: Fuchs, L. (2013). Gefährdungsanalyse zur Überflutungsvorsorge kommunaler Entwässerungssysteme. Sanierung und Anpassung von Entwässerungssystemen-Alternde Infrastruktur und Klimawandel, Österreichischer Wasser-und Abfallwirtschaftsverband, Wien, ISBN, 978-3. itwh (2002). Modellbeschreibung, Institut für technisch-wissenschaftliche Hydrologie Gmb

  3. A Systems Approach to Scalable Transportation Network Modeling

    SciTech Connect

    Perumalla, Kalyan S

    2006-01-01

    Emerging needs in transportation network modeling and simulation are raising new challenges with respect to scal-ability of network size and vehicular traffic intensity, speed of simulation for simulation-based optimization, and fidel-ity of vehicular behavior for accurate capture of event phe-nomena. Parallel execution is warranted to sustain the re-quired detail, size and speed. However, few parallel simulators exist for such applications, partly due to the challenges underlying their development. Moreover, many simulators are based on time-stepped models, which can be computationally inefficient for the purposes of modeling evacuation traffic. Here an approach is presented to de-signing a simulator with memory and speed efficiency as the goals from the outset, and, specifically, scalability via parallel execution. The design makes use of discrete event modeling techniques as well as parallel simulation meth-ods. Our simulator, called SCATTER, is being developed, incorporating such design considerations. Preliminary per-formance results are presented on benchmark road net-works, showing scalability to one million vehicles simu-lated on one processor.

  4. A Systems Approach to Developing an Affordable Space Ground Transportation Architecture using a Commonality Approach

    NASA Technical Reports Server (NTRS)

    Garcia, Jerry L.; McCleskey, Carey M.; Bollo, Timothy R.; Rhodes, Russel E.; Robinson, John W.

    2012-01-01

    This paper presents a structured approach for achieving a compatible Ground System (GS) and Flight System (FS) architecture that is affordable, productive and sustainable. This paper is an extension of the paper titled "Approach to an Affordable and Productive Space Transportation System" by McCleskey et al. This paper integrates systems engineering concepts and operationally efficient propulsion system concepts into a structured framework for achieving GS and FS compatibility in the mid-term and long-term time frames. It also presents a functional and quantitative relationship for assessing system compatibility called the Architecture Complexity Index (ACI). This paper: (1) focuses on systems engineering fundamentals as it applies to improving GS and FS compatibility; (2) establishes mid-term and long-term spaceport goals; (3) presents an overview of transitioning a spaceport to an airport model; (4) establishes a framework for defining a ground system architecture; (5) presents the ACI concept; (6) demonstrates the approach by presenting a comparison of different GS architectures; and (7) presents a discussion on the benefits of using this approach with a focus on commonality.

  5. Biomembranes. Part M. Transport in bacteria, mitochondria, and chloroplasts: General approaches and transport systems

    SciTech Connect

    Fleischer, S.; Fleischer, B.

    1986-01-01

    This book contains three sections, each consisting of several papers. Some of the paper titles are: Voltammetric Measurement of Quinones; Use of lac Gene Fusions to Study Transport Proteins; Methods for Mutagenesis of the Bacterioopsin Gene; Transport in Mycoplasmas; Alanine Carrier from Thermophilic Bacteria; and Measurement of Citrate Transport in Tumor Mitochondria.

  6. The Cooperative Organization And Rural Passenger Transportation: An Approach to Community Development.

    ERIC Educational Resources Information Center

    Stommes, Eileen S.

    The need for passenger transportation is widely recognized by rural communities. Shrinking federal funding has led many communities and human service agencies to experiment with innovative approaches to provide transportation services. One such approach is the use of cooperative organizations to provide needed services. A study conducted by the…

  7. A multi-resolution approach for optimal mass transport

    NASA Astrophysics Data System (ADS)

    Dominitz, Ayelet; Angenent, Sigurd; Tannenbaum, Allen

    2007-09-01

    Optimal mass transport is an important technique with numerous applications in econometrics, fluid dynamics, automatic control, statistical physics, shape optimization, expert systems, and meteorology. Motivated by certain problems in image registration and medical image visualization, in this note, we describe a simple gradient descent methodology for computing the optimal L2 transport mapping which may be easily implemented using a multiresolution scheme. We also indicate how the optimal transport map may be computed on the sphere. A numerical example is presented illustrating our ideas.

  8. Modelling aeolian sand transport using a dynamic mass balancing approach

    NASA Astrophysics Data System (ADS)

    Mayaud, Jerome R.; Bailey, Richard M.; Wiggs, Giles F. S.; Weaver, Corinne M.

    2017-03-01

    Knowledge of the changing rate of sediment flux in space and time is essential for quantifying surface erosion and deposition in desert landscapes. Whilst many aeolian studies have relied on time-averaged parameters such as wind velocity (U) and wind shear velocity (u*) to determine sediment flux, there is increasing field evidence that high-frequency turbulence is an important driving force behind the entrainment and transport of sand. At this scale of analysis, inertia in the saltation system causes changes in sediment transport to lag behind de/accelerations in flow. However, saltation inertia has yet to be incorporated into a functional sand transport model that can be used for predictive purposes. In this study, we present a new transport model that dynamically balances the sand mass being transported in the wind flow. The 'dynamic mass balance' (DMB) model we present accounts for high-frequency variations in the horizontal (u) component of wind flow, as saltation is most strongly associated with the positive u component of the wind. The performance of the DMB model is tested by fitting it to two field-derived (Namibia's Skeleton Coast) datasets of wind velocity and sediment transport: (i) a 10-min (10 Hz measurement resolution) dataset; (ii) a 2-h (1 Hz measurement resolution) dataset. The DMB model is shown to outperform two existing models that rely on time-averaged wind velocity data (e.g. Radok, 1977; Dong et al., 2003), when predicting sand transport over the two experiments. For all measurement averaging intervals presented in this study (10 Hz-10 min), the DMB model predicted total saltation count to within at least 0.48%, whereas the Radok and Dong models over- or underestimated total count by up to 5.50% and 20.53% respectively. The DMB model also produced more realistic (less 'peaky') time series of sand flux than the other two models, and a more accurate distribution of sand flux data. The best predictions of total sand transport are achieved using

  9. A Computational Approach to Estimate Interorgan Metabolic Transport in a Mammal

    PubMed Central

    Cui, Xiao; Geffers, Lars; Eichele, Gregor; Yan, Jun

    2014-01-01

    In multicellular organisms metabolism is distributed across different organs, each of which has specific requirements to perform its own specialized task. But different organs also have to support the metabolic homeostasis of the organism as a whole by interorgan metabolite transport. Recent studies have successfully reconstructed global metabolic networks in tissues and cell types and attempts have been made to connect organs with interorgan metabolite transport. Instead of these complicated approaches to reconstruct global metabolic networks, we proposed in this study a novel approach to study interorgan metabolite transport focusing on transport processes mediated by solute carrier (Slc) transporters and their couplings to cognate enzymatic reactions. We developed a computational approach to identify and score potential interorgan metabolite transports based on the integration of metabolism and transports in different organs in the adult mouse from quantitative gene expression data. This allowed us to computationally estimate the connectivity between 17 mouse organs via metabolite transport. Finally, by applying our method to circadian metabolism, we showed that our approach can shed new light on the current understanding of interorgan metabolite transport at a whole-body level in mammals. PMID:24971892

  10. A new approach to canal surface with parallel transport frame

    NASA Astrophysics Data System (ADS)

    Kiṣi, Ilim; Öztürk, Günay

    In the present study, we attend to the canal surfaces with the spine curve γ according to the parallel transport frame in Euclidean 4-space 𝔼4. We give an example of these surfaces and obtain some results about curvature conditions in 𝔼4. Moreover, the visualizations of projections of canal surfaces are presented. Lastly, we give the necessary and sufficient conditions for canal surfaces to become weak superconformal.

  11. Transport properties of polymer solutions. A comparative approach.

    PubMed Central

    Foster, K R; Cheever, E; Leonard, J B; Blum, F D

    1984-01-01

    A variety of transport properties have been measured for solutions of the water soluble polymer poly(ethylene oxide)(PEO) with molecular weights ranging from 200 to 14,000, and volume fractions ranging from 0-80%. The transport properties are thermal conductivity, electrical conductivity at audio frequencies (in solutions containing dilute electrolyte), and water self-diffusion. These data, together with dielectric relaxation data previously reported, are amenable to analysis by the same mixture theory. The ionic conductivity and water self-diffusion coefficient, but not the thermal conductivity, are substantially smaller than predicted by the Maxwell and Hanai mixture relations, calculated using the known transport properties of pure liquid water. A 25% (by volume) solution of PEO exhibits an average dielectric relaxation frequency of the suspending water of one half that of pure water, with clear evidence of a distribution of relaxation times present. The limits of the cumulative distribution of dielectric relaxation times that are consistent with the data are obtained using a linear programming technique. The application of simple mixture theory, under appropriate limiting conditions, yields hydration values for the more dilute polymer solutions that are somewhat larger than values obtained from thermodynamic measurements. PMID:6733244

  12. Modeling flow and transport in unsaturated fractured rock: An evaluation of the continuum approach

    SciTech Connect

    Liu, Hui-Hai; Haukwa, Charles B.; Ahlers, C. Fredrik; Bodvarsson, Gudmundur S.; Flint, Alan L.; Guertal, William B.

    2002-09-01

    Because the continuum approach is relatively simple and straightforward to implement, it has been commonly used in modeling flow and transport in unsaturated fractured rock. However, the usefulness of this approach can be questioned in terms of its adequacy for representing fingering flow and transport in unsaturated fractured rock. The continuum approach thus needs to be evaluated carefully by comparing simulation results with field observations directly related to unsaturated flow and transport processes. This paper reports on such an evaluation, based on a combination of model calibration and prediction, using data from an infiltration test carried out in a densely fractured rock within the unsaturated zone of Yucca Mountain, Nevada. Comparisons between experimental and modeling results show that the continuum approach may be able to capture important features of flow and transport processes observed from the test. The modeling results also show that matrix diffusion may have a significant effect on the overall transport behavior in unsaturated fractured rocks, which can be used to estimate effective fracture-matrix interface areas based on tracer transport data. While more theoretical, numerical, and experimental studies are needed to provide a conclusive evaluation, this study suggests that the continuum approach is useful for modeling flow and transport in unsaturated, densely fractured rock.

  13. Modeling flow and transport in unsaturated fractured rock: an evaluation of the continuum approach.

    PubMed

    Liu, Hui-Hai; Haukwa, Charles B; Ahlers, C Fredrik; Bodvarsson, Gudmundur S; Flint, Alan L; Guertal, William B

    2003-01-01

    Because the continuum approach is relatively simple and straightforward to implement, it has been commonly used in modeling flow and transport in unsaturated fractured rock. However, the usefulness of this approach can be questioned in terms of its adequacy for representing fingering flow and transport in unsaturated fractured rock. The continuum approach thus needs to be evaluated carefully by comparing simulation results with field observations directly related to unsaturated flow and transport processes. This paper reports on such an evaluation, based on a combination of model calibration and prediction, using data from an infiltration test carried out in a densely fractured rock within the unsaturated zone of Yucca Mountain, Nevada. Comparisons between experimental and modeling results show that the continuum approach may be able to capture important features of flow and transport processes observed from the test. The modeling results also show that matrix diffusion may have a significant effect on the overall transport behavior in unsaturated fractured rocks, which can be used to estimate effective fracture-matrix interface areas based on tracer transport data. While more theoretical, numerical, and experimental studies are needed to provide a conclusive evaluation, this study suggests that the continuum approach is useful for modeling flow and transport in unsaturated, densely fractured rock.

  14. Modeling flow and transport in unsaturated fractured rock: An evaluation of the continuum approach

    USGS Publications Warehouse

    Liu, H.-H.; Haukwa, C.B.; Ahlers, C.F.; Bodvarsson, G.S.; Flint, A.L.; Guertal, W.B.

    2003-01-01

    Because the continuum approach is relatively simple and straightforward to implement, it has been commonly used in modeling flow and transport in unsaturated fractured rock. However, the usefulness of this approach can be questioned in terms of its adequacy for representing fingering flow and transport in unsaturated fractured rock. The continuum approach thus needs to be evaluated carefully by comparing simulation results with field observations directly related to unsaturated flow and transport processes. This paper reports on such an evaluation, based on a combination of model calibration and prediction, using data from an infiltration test carried out in a densely fractured rock within the unsaturated zone of Yucca Mountain, Nevada. Comparisons between experimental and modeling results show that the continuum approach may be able to capture important features of flow and transport processes observed from the test. The modeling results also show that matrix diffusion may have a significant effect on the overall transport behavior in unsaturated fractured rocks, which can be used to estimate effective fracture-matrix interface areas based on tracer transport data. While more theoretical, numerical, and experimental studies are needed to provide a conclusive evaluation, this study suggests that the continuum approach is useful for modeling flow and transport in unsaturated, densely fractured rock. ?? 2002 Elsevier Science B.V. All rights reserved.

  15. A Human Systems Integration Approach to Energy Efficiency in Ground Transportation

    DTIC Science & Technology

    2015-12-01

    COVERED Master’s thesis 4. TITLE AND SUBTITLE A HUMAN SYSTEMS INTEGRATION APPROACH TO ENERGY EFFICIENCY IN GROUND TRANSPORTATION 5. FUNDING NUMBERS...distribution is unlimited A HUMAN SYSTEMS INTEGRATION APPROACH TO ENERGY EFFICIENCY IN GROUND TRANSPORTATION Keith R. Robison Lieutenant, United...policies for the successful use of telematics systems in the Marine Corps that will make it a more fuel- efficient fighting force. As a result, the

  16. Quasilinear transport approach to equilibration of quark-gluon plasmas

    SciTech Connect

    Mrowczynski, Stanislaw; Mueller, Berndt

    2010-03-15

    We derive the transport equations of quark-gluon plasma in the quasilinear approximation. The equations are either of the Balescu-Lenard or Fokker-Planck form. The plasma's dynamics is assumed to be governed by longitudinal chromoelectric fields. The isotropic plasma, which is stable, and the two-stream system, which is unstable, are considered in detail. A process of equilibration is briefly discussed in both cases. The peaks of the two-stream distribution are shown to rapidly dissolve in time.

  17. Transport properties of Fibonacci heterostructures: a nonparabolic approach

    NASA Astrophysics Data System (ADS)

    Palomino-Ovando, M.; Cocoletzi, G. H.

    1998-07-01

    A fourth order hamiltonian is used to explore transport properties of semiconductor Fibonacci heterostructures. The tunneling current and time delay are obtained for different Fibonacci sequences constructed withGaAsandAlxGa1 - xAs. Energy minibands are calculated to study the fractal dimension and critical electronic states in quasi-periodic arrays. Results show that nonparabolic corrections produce changes in the tunneling current, time delay and fractal dimension, and a low voltage shift of the current peaks compared with the parabolic theory. The electronic states preserve their critical nature in the presence of nonparabolic effects.

  18. The Monte Carlo approach to transport modeling in deca-nanometer MOSFETs

    NASA Astrophysics Data System (ADS)

    Sangiorgi, Enrico; Palestri, Pierpaolo; Esseni, David; Fiegna, Claudio; Selmi, Luca

    2008-09-01

    In this paper, we review recent developments of the Monte Carlo approach to the simulation of semi-classical carrier transport in nano-MOSFETs, with particular focus on the inclusion of quantum-mechanical effects in the simulation (using either the multi-subband approach or quantum corrections to the electrostatic potential) and on the numerical stability issues related to the coupling of the transport with the Poisson equation. Selected applications are presented, including the analysis of quasi-ballistic transport, the determination of the RF characteristics of deca-nanometric MOSFETs, and the study of non-conventional device structures and channel materials.

  19. Transport in fractal media: an effective scale-invariant approach.

    PubMed

    Hernandez-Coronado, H; Coronado, M; Herrera-Hernandez, E C

    2012-06-01

    In this paper an advective-dispersion equation with scale-dependent coefficients is proposed for describing transport through fractals. This equation is obtained by imposing scale invariance and assuming that the porosity, the dispersion coefficient, and the velocity follow fractional power laws on the scale. The model incorporates the empirically found trends in highly heterogeneous media, regarding the dependence of the dispersivity on the scale and the dispersion coefficient on the velocity. We conclude that the presence of nontrivial fractal parameters produces anomalous dispersion, as expected, and that the presence of convective processes induces a reescalation in the concentration and shifts the tracer velocity to different values with respect to the nonfractal case.

  20. Air pollution exposure: An activity pattern approach for active transportation

    NASA Astrophysics Data System (ADS)

    Adams, Matthew D.; Yiannakoulias, Nikolaos; Kanaroglou, Pavlos S.

    2016-09-01

    In this paper, we demonstrate the calculation of personal air pollution exposure during trips made by active transportation using activity patterns without personal monitors. We calculate exposure as the inhaled dose of particulate matter 2.5 μg or smaller. Two modes of active transportation are compared, and they include cycling and walking. Ambient conditions are calculated by combining mobile and stationary monitoring data in an artificial neural network space-time model. The model uses a land use regression framework and has a prediction accuracy of R2 = 0.78. Exposure is calculated at 10 m or shorter intervals during the trips using inhalation rates associated with both modes. The trips are children's routes between home and school. The average dose during morning cycling trips was 2.17 μg, during morning walking trips was 3.19 μg, during afternoon cycling trips was 2.19 μg and during afternoon walking trips was 3.23 μg. The cycling trip dose was significantly lower than the walking trip dose. The air pollution exposure during walking or cycling trips could not be strongly predicted by either the school or household ambient conditions, either individually or in combination. Multiple linear regression models regressing both the household and school ambient conditions against the dose were only able to account for, at most, six percent of the variance in the exposure. This paper demonstrates that incorporating activity patterns when calculating exposure can improve the estimate of exposure compared to its calculation from ambient conditions.

  1. Variational approach to extracting the phonon mean free path distribution from the spectral Boltzmann transport equation

    NASA Astrophysics Data System (ADS)

    Chiloyan, Vazrik; Zeng, Lingping; Huberman, Samuel; Maznev, Alexei A.; Nelson, Keith A.; Chen, Gang

    2016-04-01

    The phonon Boltzmann transport equation (BTE) is a powerful tool for studying nondiffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP) distributions from experiments exploring nondiffusive transport. By utilizing the known Fourier heat conduction solution as a trial function, we present a direct approach to calculating the effective thermal conductivity from the BTE. We demonstrate this technique on the transient thermal grating experiment, which is a useful tool for studying nondiffusive thermal transport and probing the MFP distribution of materials. We obtain a closed form expression for a suppression function that is materials dependent, successfully addressing the nonuniversality of the suppression function used in the past, while providing a general approach to studying thermal properties in the nondiffusive regime.

  2. Dissipative quantum transport in macromolecules: Effective field theory approach

    NASA Astrophysics Data System (ADS)

    Schneider, E.; a Beccara, S.; Faccioli, P.

    2013-08-01

    We introduce an atomistic approach to the dissipative quantum dynamics of charged or neutral excitations propagating through macromolecular systems. Using the Feynman-Vernon path integral formalism, we analytically trace out from the density matrix the atomic coordinates and the heat bath degrees of freedom. This way we obtain an effective field theory which describes the real-time evolution of the quantum excitation and is fully consistent with the fluctuation-dissipation relation. The main advantage of the field-theoretic approach is that it allows us to avoid using the Keldysh contour formulation. This simplification makes it straightforward to derive Feynman diagrams to analytically compute the effects of the interaction of the propagating quantum excitation with the heat bath and with the molecular atomic vibrations. For illustration purposes, we apply this formalism to investigate the loss of quantum coherence of holes propagating through a poly(3-alkylthiophene) polymer.

  3. Linear dynamic system approach to groundwater solute transport equation

    SciTech Connect

    Cho, W.C.

    1984-01-01

    Groundwater pollution in the United States has been recognized in the 1980's to be extensive both in degree and geographic distribution. It has been recognized that in many cases groundwater pollution is essentially irreversible from the engineering or economic viewpoint. Under the best circumstance the problem is complicated by insufficient amounts of field data which is costly to obtain. In general, the governing partial differential equation of solute transport is spatially discretized either using finite difference or finite element scheme. The time derivative is also approximated by finite difference. In this study, only the spatial discretization is performed using finite element method and the time derivative is retained in continuous form. The advantage is that special features of finite element are maintained but most important of all is that the equation can be rearranged to be in a standard form of linear dynamic system. Two problems were studied in detail: one is the determination of the locatio of groundwater pollution source(s). The problem is equivalent to identifying an input to the dynamic system and is solved by using the sensitivity theorem. The other one is the prediction of pollutant concentration at a given time at a given location. The eigenvalue technique was employed to solve this problem and the detailed procedures of the computation were delineated.

  4. Topological Hall Effect in Skyrmions: A Nonequilibrium Coherent Transport Approach

    NASA Astrophysics Data System (ADS)

    Yin, Gen; Zang, Jiadong; Lake, Roger

    2014-03-01

    Skyrmion is a topological spin texture recently observed in many materials with broken inversion symmetry. In experiments, one effective method to detect the skyrmion crystal phase is the topological Hall measurement. At adiabatic approximation, previous theoretical studies show that the Hall signal is provided by an emergent magnetic field, which explains the topological Hall effect in the classical level. Motivated by the potential device application of skyrmions as digital bits, it is important to understand the topological Hall effect in the mesoscopic level, where the electron coherence should be considered. In this talk, we will discuss the quantum aspects of the topological Hall effect on a tight binding setup solved by nonequilibrium Green's function (NEGF). The charge distribution, Hall potential distribution, thermal broadening effect and the Hall resistivity are investigated in detail. The relation between the Hall resistance and the DM interaction is investigated. Driven by the spin transferred torque (SST), Skyrmion dynamics is previously studied within the adiabatic approximation. At the quantum transport level, this talk will also discuss the non-adiabatic effect in the skyrmion motion with the presence of the topological Hall effect. This material is based upon work supported by the National Science Foundation under Grant Nos. NSF 1128304 and NSF 1124733. It was also supported in part by FAME, one of six centers of STARnet, an SRC program sponsored by MARCO and DARPA.

  5. Flight investigation of the roll requirements for transport airplanes in the landing approach

    NASA Technical Reports Server (NTRS)

    Holleman, E. C.; Powers, B. G.

    1972-01-01

    An in-flight evaluation of transport roll characteristics in the landing approach was made with a general purpose airborne simulator. The evaluation task consisted of an instrument approach with a visual correction for a (200-foot) lateral offset. Pilot evaluations and ratings were obtained for approaches made at 140 knots and 180 knots indicated airspeed with variations of wheel characteristics, maximum roll rate, and roll time constant.

  6. A continuous linear optimal transport approach for pattern analysis in image datasets

    PubMed Central

    Kolouri, Soheil; Tosun, Akif B.; Ozolek, John A.; Rohde, Gustavo K.

    2015-01-01

    We present a new approach to facilitate the application of the optimal transport metric to pattern recognition on image databases. The method is based on a linearized version of the optimal transport metric, which provides a linear embedding for the images. Hence, it enables shape and appearance modeling using linear geometric analysis techniques in the embedded space. In contrast to previous work, we use Monge's formulation of the optimal transport problem, which allows for reasonably fast computation of the linearized optimal transport embedding for large images. We demonstrate the application of the method to recover and visualize meaningful variations in a supervised-learning setting on several image datasets, including chromatin distribution in the nuclei of cells, galaxy morphologies, facial expressions, and bird species identification. We show that the new approach allows for high-resolution construction of modes of variations and discrimination and can enhance classification accuracy in a variety of image discrimination problems. PMID:26858466

  7. New approach to creation of geometrical module for nuclear reactor neutron transport computer simulation analysis

    SciTech Connect

    Poveschenko, T.; Poveschenko, O.

    2012-07-01

    This paper presents the new approach to creation of geometrical module for nuclear reactor neutron transport computer simulation analysis so called the differential cross method. It is elaborated for detecting boards between physical zones. It is proposed to use GMSH open source mesh editor extended by some features: a special option and a special kind of mesh (cubic background mesh).This method is aimed into Monte Carlo Method as well as for deterministic neutron transport methods. Special attention is attended for reactor core composed of a set of material zones with complicate geometrical boundaries. The idea of this approach is described. In general case method works for 3-D space. Algorithm of creation of the geometrical module is given. 2-D neutron transport benchmark-test for RBMK reactor cluster cell is described. It demonstrates the ability of this approach to provide flexible definition of geometrical meshing with preservation of curved surface or any level of heterogeneity. (authors)

  8. Assessing the safety effects of cooperative intelligent transport systems: A bowtie analysis approach.

    PubMed

    Ehlers, Ute Christine; Ryeng, Eirin Olaussen; McCormack, Edward; Khan, Faisal; Ehlers, Sören

    2017-02-01

    The safety effects of cooperative intelligent transport systems (C-ITS) are mostly unknown and associated with uncertainties, because these systems represent emerging technology. This study proposes a bowtie analysis as a conceptual framework for evaluating the safety effect of cooperative intelligent transport systems. These seek to prevent road traffic accidents or mitigate their consequences. Under the assumption of the potential occurrence of a particular single vehicle accident, three case studies demonstrate the application of the bowtie analysis approach in road traffic safety. The approach utilizes exemplary expert estimates and knowledge from literature on the probability of the occurrence of accident risk factors and of the success of safety measures. Fuzzy set theory is applied to handle uncertainty in expert knowledge. Based on this approach, a useful tool is developed to estimate the effects of safety-related cooperative intelligent transport systems in terms of the expected change in accident occurrence and consequence probability.

  9. Landauer-Büttiker approach for hyperfine mediated electronic transport in the integer quantum Hall regime

    NASA Astrophysics Data System (ADS)

    Singha, Aniket; Fauzi, M. H.; Hirayama, Y.; Muralidharan, Bhaskaran

    2017-03-01

    The interplay of spin-polarized electronic edge states with the dynamics of the host nuclei in quantum Hall systems presents rich and nontrivial transport physics. Here, we develop a Landauer-Büttiker approach to understand various experimental features observed in the integer quantum Hall setups featuring quantum point contacts. The approach developed here entails a phenomenological description of spin-resolved interedge scattering induced via hyperfine assisted electron-nuclear spin flip-flop processes. A self-consistent simulation framework between the nuclear spin dynamics and edge state electronic transport is presented in order to gain crucial insights into the dynamic nuclear polarization effects on electronic transport and in turn the electron-spin polarization effects on the nuclear spin dynamics. In particular, we show that the hysteresis noted experimentally in the conductance-voltage trace as well as in the resistively detected NMR line-shape results from a lack of quasiequilibrium between electronic transport and nuclear polarization evolution. In addition, we present circuit models to emulate such hyperfine mediated transport effects to further facilitate a clear understanding of the electronic transport processes occurring around the quantum point contact. Finally, we extend our model to account for the effects of quadrupolar splitting of nuclear levels and also depict the electronic transport signatures that arise from single and multiphoton processes.

  10. Novel fluorescence-based approaches for the study of biogenic amine transporter localization, activity, and regulation.

    PubMed

    Mason, J N; Farmer, H; Tomlinson, I D; Schwartz, J W; Savchenko, V; DeFelice, L J; Rosenthal, S J; Blakely, R D

    2005-04-15

    Pre-synaptic norepinephrine (NE) and dopamine (DA) transporters (NET and DAT) terminate catecholamine synaptic transmission through reuptake of released neurotransmitter. Recent studies reveal that NET and DAT are tightly regulated by receptor and second messenger-linked signaling pathways. Common approaches for studying these transporters involve use of radiolabeled substrates or antagonists, methods possessing limited spatial resolution and that bear limited opportunities for repeated monitoring of living preparations. To circumvent these issues, we have explored two novel assay platforms that permit temporally resolved quantitation of transport activity and transporter protein localization. To monitor the binding and transport function of NET and DAT in real-time, we have investigated the uptake of the fluorescent organic compound 4-(4-diethylaminostyryl)-N-methylpyridinium iodide (ASP+). We have extended our previous single cell level application of this substrate to monitor transport activity via high-throughput assay platforms. Compared to radiotracer uptake methods, acquisition of ASP+ fluorescence is non-isotopic and allows for continuous, repeated transport measurements on both transfected and native preparations. Secondly, we have extended our application of small-molecule-conjugated fluorescent CdSe/ZnS nanocrystals, or quantum dots (Qdots), to utilize antibody and peptide ligands that can identify surface expressed transporters, receptors and other membrane proteins in living cell systems. Unlike typical organic fluorophores, Qdots are highly resistant to bleaching and can be conjugated to multiple ligands. They can also be illuminated by conventional light sources, yet produce narrow, gaussian emission spectra compatible with multiple target visualization (multiplexing). Together, these approaches offer novel opportunities to investigate changes in transporter function and distribution in real-time with superior spatial and temporal resolution.

  11. Number-resolved master equation approach to quantum measurement and quantum transport

    NASA Astrophysics Data System (ADS)

    Li, Xin-Qi

    2016-08-01

    In addition to the well-known Landauer-Büttiker scattering theory and the nonequilibrium Green's function technique for mesoscopic transports, an alternative (and very useful) scheme is quantum master equation approach. In this article, we review the particle-number ( n)-resolved master equation ( n-ME) approach and its systematic applications in quantum measurement and quantum transport problems. The n-ME contains rich dynamical information, allowing efficient study of topics such as shot noise and full counting statistics analysis. Moreover, we also review a newly developed master equation approach (and its n-resolved version) under self-consistent Born approximation. The application potential of this new approach is critically examined via its ability to recover the exact results for noninteracting systems under arbitrary voltage and in presence of strong quantum interference, and the challenging non-equilibrium Kondo effect.

  12. Simulating photon-transport in uniform media using the radiative transport equation: a study using the Neumann-series approach

    PubMed Central

    Jha, Abhinav K.; Kupinski, Matthew A.; Masumura, Takahiro; Clarkson, Eric; Maslov, Alexey V.; Barrett, Harrison H.

    2014-01-01

    We present the implementation, validation, and performance of a Neumann-series approach for simulating light propagation at optical wavelengths in uniform media using the radiative transport equation (RTE). The RTE is solved for an anisotropic-scattering medium in a spherical harmonic basis for a diffuse-optical-imaging setup. The main objectives of this paper are threefold: to present the theory behind the Neumann-series form for the RTE, to design and develop the mathematical methods and the software to implement the Neumann series for a diffuse-optical-imaging setup, and, finally, to perform an exhaustive study of the accuracy, practical limitations, and computational efficiency of the Neumann-series method. Through our results, we demonstrate that the Neumann-series approach can be used to model light propagation in uniform media with small geometries at optical wavelengths. PMID:23201893

  13. Computational approaches to analyse and predict small molecule transport and distribution at cellular and subcellular levels.

    PubMed

    Min, Kyoung Ah; Zhang, Xinyuan; Yu, Jing-yu; Rosania, Gus R

    2014-01-01

    Quantitative structure-activity relationship (QSAR) studies and mechanistic mathematical modeling approaches have been independently employed for analysing and predicting the transport and distribution of small molecule chemical agents in living organisms. Both of these computational approaches have been useful for interpreting experiments measuring the transport properties of small molecule chemical agents, in vitro and in vivo. Nevertheless, mechanistic cell-based pharmacokinetic models have been especially useful to guide the design of experiments probing the molecular pathways underlying small molecule transport phenomena. Unlike QSAR models, mechanistic models can be integrated from microscopic to macroscopic levels, to analyse the spatiotemporal dynamics of small molecule chemical agents from intracellular organelles to whole organs, well beyond the experiments and training data sets upon which the models are based. Based on differential equations, mechanistic models can also be integrated with other differential equations-based systems biology models of biochemical networks or signaling pathways. Although the origin and evolution of mathematical modeling approaches aimed at predicting drug transport and distribution has occurred independently from systems biology, we propose that the incorporation of mechanistic cell-based computational models of drug transport and distribution into a systems biology modeling framework is a logical next step for the advancement of systems pharmacology research.

  14. Comparing approaches for simulating the reactive transport of U(VI) in ground water

    USGS Publications Warehouse

    Curtis, G.P.; Kohler, M.; Davis, J.A.

    2009-01-01

    The reactive transport of U(VI) in a well-characterized shallow alluvial aquifer at a former U(VI) mill located near Naturita, CO, was predicted for comparative purposes using a surface complexation model (SCM) and a constant K d approach to simulate U(VI) adsorption. The ground water at the site had U(VI) concentrations that ranged from 0.01 to 20 ??M, alkalinities that ranged from 2.5 to 18 meq/L, and a nearly constant pH of 7.1. The SCM used to simulate U(VI) adsorption was previously determined independently using laboratory batch adsorption experiments. Simulations obtained using the SCM approach were compared with simulations that used a constant K d approach to simulate adsorption using previously determined site-specific K d values. In both cases, the ground water flow and transport models used a conceptual model that was previously calibrated to a chloride plume present at the site. Simulations with the SCM approach demonstrated that the retardation factor varied temporally and spatially because of the differential transport of alkalinity and dissolved U(VI) and the nonlinearity of the U(VI) adsorption. The SCM model also simulated a prolonged slow decline in U(VI) concentration, which was not simulated using a constant K d model. Simulations using the SCM approach and the constant K d approach were similar after 20 years of transport but diverged significantly after 60 years. The simulations demonstrate the need for site-specific geochemical information on U(VI) adsorption to produce credible simulations of future transport. ?? 2009 Springer-Verlag.

  15. Hybrid Approach for the Public Transportation Time Dependent Orienteering Problem with Time Windows

    NASA Astrophysics Data System (ADS)

    Garcia, Ander; Arbelaitz, Olatz; Vansteenwegen, Pieter; Souffriau, Wouter; Linaza, Maria Teresa

    The Time Dependent Orienteering Problem with Time Windows (TDOPTW) consists of a set of locations with associated time windows and scores. Visiting a location allows to collect its score as a reward. Traveling time between locations varies depending on the leave time. The objective is to obtain a route that maximizes the obtained score within a limited amount of time. In this paper we target the use of public transportation in a city, where users may move on foot or by public transportation. The approach can also be applied to the logistic sector, for example to the multimodal freight transportation. We apply an hybrid approach to tackle the problem. Experimental results for the city of San Sebastian show we are able to obtain valid routes in real-time.

  16. Simulator study of flight characteristics of several large, dissimilar, cargo transport airplanes during approach and landing

    NASA Technical Reports Server (NTRS)

    Grantham, W. D.; Smith, P. M.; Deal, P. L.; Neely, W. R., Jr.

    1984-01-01

    A six-degree-of-freedom, ground based simulator study is conducted to evaluate the low-speed flight characteristics of four dissimilar cargo transport airplanes. These characteristics are compared with those of a large, present-day (reference) transport configuration similar to the Lockheed C-5A airplane. The four very large transport concepts evaluated consist of single-fuselage, twin-fuselage, triple-fuselage, and span-loader configurations. The primary piloting task is the approach and landing operation. The results of his study indicate that all four concepts evaluated have unsatisfactory longitudinal and lateral directional low speed flight characteristics and that considerable stability and control augmentation would be required to improve these characteristics (handling qualities) to a satisfactory level. Through the use of rate command/attitude hold augmentation in the pitch and roll axes, and the use of several turn-coordination features, the handling qualities of all four large transports simulated are improved appreciably.

  17. Asymptotic-preserving Lagrangian approach for modeling anisotropic transport in magnetized plasmas for arbitrary magnetic fields

    NASA Astrophysics Data System (ADS)

    Chacon, Luis; Del-Castillo-Negrete, Diego; Hauck, Cory

    2012-10-01

    Modeling electron transport in magnetized plasmas is extremely challenging due to the extreme anisotropy between parallel (to the magnetic field) and perpendicular directions (χ/χ˜10^10 in fusion plasmas). Recently, a Lagrangian Green's function approach, developed for the purely parallel transport case,footnotetextD. del-Castillo-Negrete, L. Chac'on, PRL, 106, 195004 (2011)^,footnotetextD. del-Castillo-Negrete, L. Chac'on, Phys. Plasmas, 19, 056112 (2012) has been extended to the anisotropic transport case in the tokamak-ordering limit with constant density.footnotetextL. Chac'on, D. del-Castillo-Negrete, C. Hauck, JCP, submitted (2012) An operator-split algorithm is proposed that allows one to treat Eulerian and Lagrangian components separately. The approach is shown to feature bounded numerical errors for arbitrary χ/χ ratios, which renders it asymptotic-preserving. In this poster, we will present the generalization of the Lagrangian approach to arbitrary magnetic fields. We will demonstrate the potential of the approach with various challenging configurations, including the case of transport across a magnetic island in cylindrical geometry.

  18. A computational approach to calculate the heat of transport of aqueous solutions

    NASA Astrophysics Data System (ADS)

    di Lecce, Silvia; Albrecht, Tim; Bresme, Fernando

    2017-03-01

    Thermal gradients induce concentration gradients in alkali halide solutions, and the salt migrates towards hot or cold regions depending on the average temperature of the solution. This effect has been interpreted using the heat of transport, which provides a route to rationalize thermophoretic phenomena. Early theories provide estimates of the heat of transport at infinite dilution. These values are used to interpret thermodiffusion (Soret) and thermoelectric (Seebeck) effects. However, accessing heats of transport of individual ions at finite concentration remains an outstanding question both theoretically and experimentally. Here we discuss a computational approach to calculate heats of transport of aqueous solutions at finite concentrations, and apply our method to study lithium chloride solutions at concentrations >0.5 M. The heats of transport are significantly different for Li+ and Cl‑ ions, unlike what is expected at infinite dilution. We find theoretical evidence for the existence of minima in the Soret coefficient of LiCl, where the magnitude of the heat of transport is maximized. The Seebeck coefficient obtained from the ionic heats of transport varies significantly with temperature and concentration. We identify thermodynamic conditions leading to a maximization of the thermoelectric response of aqueous solutions.

  19. A computational approach to calculate the heat of transport of aqueous solutions

    PubMed Central

    Di Lecce, Silvia; Albrecht, Tim; Bresme, Fernando

    2017-01-01

    Thermal gradients induce concentration gradients in alkali halide solutions, and the salt migrates towards hot or cold regions depending on the average temperature of the solution. This effect has been interpreted using the heat of transport, which provides a route to rationalize thermophoretic phenomena. Early theories provide estimates of the heat of transport at infinite dilution. These values are used to interpret thermodiffusion (Soret) and thermoelectric (Seebeck) effects. However, accessing heats of transport of individual ions at finite concentration remains an outstanding question both theoretically and experimentally. Here we discuss a computational approach to calculate heats of transport of aqueous solutions at finite concentrations, and apply our method to study lithium chloride solutions at concentrations >0.5 M. The heats of transport are significantly different for Li+ and Cl− ions, unlike what is expected at infinite dilution. We find theoretical evidence for the existence of minima in the Soret coefficient of LiCl, where the magnitude of the heat of transport is maximized. The Seebeck coefficient obtained from the ionic heats of transport varies significantly with temperature and concentration. We identify thermodynamic conditions leading to a maximization of the thermoelectric response of aqueous solutions. PMID:28322266

  20. A multidisciplinary approach to assess the welfare of weaned pigs during transport at three space allowances.

    PubMed

    Sutherland, Mhairi A; Bryer, Pamela J; Davis, Brittany L; McGlone, John J

    2010-01-01

    Transport can be a stressful experience for pigs, especially in pigs simultaneously experiencing weaning stress. The objective of this study was to use a multidisciplinary approach to assess the welfare of weaned pigs during transport at 3 space allowances. A commercial semitrailer, fitted with compartments, provided 0.05, 0.06, and 0.07 m(2)/pig. The study recorded frequency of standing, lying, sitting, and standing-rearing on another pig during the entire duration of transport. Blood samples, body weights, and lesion scores were collected from a subset of pigs (n = 48 per space allowance) in each experimental compartment. Transport time for the pigs was 148.0 +/- 10.0 min to the wean-to-finishing site. Total white blood cell counts, cortisol, and several blood chemistry values increased (p < .05) after transport regardless of space allowance. Glucose and body weight decreased (p < .05) after transport regardless of space allowance. Space allowance influenced stand-rearing, sitting, standing, and lying behaviors in pigs. Combining behavioral and physiological measures of stress provides a robust picture of piglet welfare during transport at different space allowances.

  1. Theoretical analysis of integral neutron transport equation using collision probability method with quadratic flux approach

    SciTech Connect

    Shafii, Mohammad Ali Meidianti, Rahma Wildian, Fitriyani, Dian; Tongkukut, Seni H. J.; Arkundato, Artoto

    2014-09-30

    Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation.

  2. Quantum thermal transport through anharmonic systems: A self-consistent approach

    NASA Astrophysics Data System (ADS)

    He, Dahai; Thingna, Juzar; Wang, Jian-Sheng; Li, Baowen

    2016-10-01

    We propose a feasible and effective approach to study quantum thermal transport through anharmonic systems. The main idea is to obtain an effective harmonic Hamiltonian for the anharmonic system by applying the self-consistent phonon theory. By using the effective harmonic Hamiltonian, we study thermal transport within the framework of the nonequilibrium Green's function method using the celebrated Caroli formula. We corroborate our quantum self-consistent approach by using the quantum master equation that can deal with anharmonicity exactly, but is limited to the weak system-bath coupling regime. Finally, in order to demonstrate its strength, we apply the quantum self-consistent approach to study thermal rectification in a weakly coupled two-segment anharmonic system.

  3. Forced canonical thermalization in a hadronic transport approach at high density

    NASA Astrophysics Data System (ADS)

    Oliinychenko, Dmytro; Petersen, Hannah

    2017-03-01

    Hadronic transport approaches based on an effective solution of the relativistic Boltzmann equation are widely applied for the dynamical description of heavy ion reactions at low beam energies. At high densities, the assumption of binary interactions often used in hadronic transport approaches may not be applicable anymore. Therefore, we effectively simulate the high-density regime using the local forced canonical thermalization. This framework provides the opportunity to interpolate in a dynamical way between two different limits of kinetic theory: the dilute gas approximation and the ideal fluid case. This approach will be important for studies of the dynamical evolution of heavy ion collisions at low and intermediate energies as experimentally investigated at the beam energy scan program at RHIC, and in the future at FAIR and NICA. On the other hand, this new way of modeling hot and dense strongly interacting matter might be relevant for small systems at high energies (LHC and RHIC) as well.

  4. Advanced subsonic transport approach noise: The relative contribution of airframe noise

    NASA Technical Reports Server (NTRS)

    Willshire, William L., Jr.; Garber, Donald P.

    1992-01-01

    With current engine technology, airframe noise is a contributing source for large commercial aircraft on approach, but not the major contributor. With the promise of much quieter jet engines with the planned new generation of high-by-pass turbofan engines, airframe noise has become a topic of interest in the advanced subsonic transport research program. The objective of this paper is to assess the contribution of airframe noise relative to the other aircraft noise sources on approach. The assessment will be made for a current technology large commercial transport aircraft and for an envisioned advanced technology aircraft. NASA's Aircraft Noise Prediction Program (ANOPP) will be used to make total aircraft noise predictions for these two aircraft types. Predicted noise levels and areas of noise contours will be used to determine the relative importance of the contributing approach noise sources. The actual set-up decks used to make the ANOPP runs for the two aircraft types are included in appendixes.

  5. A new approach to calculate the transport matrix in RF cavities

    SciTech Connect

    Eidelman, Yu.; Mokhov, N.; Nagaitsev, S.; Solyak, N.; /Fermilab

    2011-03-01

    A realistic approach to calculate the transport matrix in RF cavities is developed. It is based on joint solution of equations of longitudinal and transverse motion of a charged particle in an electromagnetic field of the linac. This field is a given by distribution (measured or calculated) of the component of the longitudinal electric field on the axis of the linac. New approach is compared with other matrix methods to solve the same problem. The comparison with code ASTRA has been carried out. Complete agreement for tracking results for a TESLA-type cavity is achieved. A corresponding algorithm will be implemented into the MARS15 code. A realistic approach to calculate the transport matrix in RF cavities is developed. Complete agreement for tracking results with existed code ASTRA is achieved. New algorithm will be implemented into MARS15 code.

  6. The adjoint neutron transport equation and the statistical approach for its solution

    NASA Astrophysics Data System (ADS)

    Saracco, P.; Dulla, S.; Ravetto, P.

    2016-11-01

    The adjoint equation was introduced in the early days of neutron transport and its solution, the neutron importance, has been used for several applications in neutronics. The work presents at first a critical review of the adjoint neutron transport equation. Afterwards, the adjont model is constructed for a reference physical situation, for which an analytical approach is viable, i.e. an infinite homogeneous scattering medium. This problem leads to an equation that is the adjoint of the slowing-down equation, which is well known in nuclear reactor physics. A general closed-form analytical solution to such adjoint equation is obtained by a procedure that can be used also to derive the classical Placzek functions. This solution constitutes a benchmark for any statistical or numerical approach to the adjoint equation. A sampling technique to evaluate the adjoint flux for the transport equation is then proposed and physically interpreted as a transport model for pseudo-particles. This can be done by introducing appropriate kernels describing the transfer of the pseudo-particles in the phase space. This technique allows estimating the importance function by a standard Monte Carlo approach. The sampling scheme is validated by comparison with the analytical results previously obtained.

  7. TRANSPORT

    EPA Science Inventory

    Presentation outline: transport principles, effective solubility; gasoline composition; and field examples (plume diving).
    Presentation conclusions: MTBE transport follows from - phyiscal and chemical properties and hydrology. Field examples show: MTBE plumes > benzene plu...

  8. An exact approach for studying cargo transport by an ensemble of molecular motors

    PubMed Central

    2013-01-01

    Background Intracellular transport is crucial for many cellular processes where a large fraction of the cargo is transferred by motor-proteins over a network of microtubules. Malfunctions in the transport mechanism underlie a number of medical maladies. Existing methods for studying how motor-proteins coordinate the transfer of a shared cargo over a microtubule are either analytical or are based on Monte-Carlo simulations. Approaches that yield analytical results, while providing unique insights into transport mechanism, make simplifying assumptions, where a detailed characterization of important transport modalities is difficult to reach. On the other hand, Monte-Carlo based simulations can incorporate detailed characteristics of the transport mechanism; however, the quality of the results depend on the number and quality of simulation runs used in arriving at results. Here, for example, it is difficult to simulate and study rare-events that can trigger abnormalities in transport. Results In this article, a semi-analytical methodology that determines the probability distribution function of motor-protein behavior in an exact manner is developed. The method utilizes a finite-dimensional projection of the underlying infinite-dimensional Markov model, which retains the Markov property, and enables the detailed and exact determination of motor configurations, from which meaningful inferences on transport characteristics of the original model can be derived. Conclusions Under this novel probabilistic approach new insights about the mechanisms of action of these proteins are found, suggesting hypothesis about their behavior and driving the design and realization of new experiments. The advantages provided in accuracy and efficiency make it possible to detect rare events in the motor protein dynamics, that could otherwise pass undetected using standard simulation methods. In this respect, the model has allowed to provide a possible explanation for possible mechanisms

  9. A biomechanical triphasic approach to the transport of nondilute solutions in articular cartilage.

    PubMed

    Abazari, Alireza; Elliott, Janet A W; Law, Garson K; McGann, Locksley E; Jomha, Nadr M

    2009-12-16

    Biomechanical models for biological tissues such as articular cartilage generally contain an ideal, dilute solution assumption. In this article, a biomechanical triphasic model of cartilage is described that includes nondilute treatment of concentrated solutions such as those applied in vitrification of biological tissues. The chemical potential equations of the triphasic model are modified and the transport equations are adjusted for the volume fraction and frictional coefficients of the solutes that are not negligible in such solutions. Four transport parameters, i.e., water permeability, solute permeability, diffusion coefficient of solute in solvent within the cartilage, and the cartilage stiffness modulus, are defined as four degrees of freedom for the model. Water and solute transport in cartilage were simulated using the model and predictions of average concentration increase and cartilage weight were fit to experimental data to obtain the values of the four transport parameters. As far as we know, this is the first study to formulate the solvent and solute transport equations of nondilute solutions in the cartilage matrix. It is shown that the values obtained for the transport parameters are within the ranges reported in the available literature, which confirms the proposed model approach.

  10. Natural Organic Matter Transport Modeling with a Continuous Time Random Walk Approach

    PubMed Central

    McInnis, Daniel P.; Bolster, Diogo; Maurice, Patricia A.

    2014-01-01

    Abstract In transport experiments through columns packed with naturally Fe/Al oxide-coated quartz sand, breakthrough curves (BTCs) of natural organic matter (NOM) displayed strong and persistent power law tailing that could not be described by the classical advection–dispersion equation. Tailing was not observed in BTCs for a nonreactive tracer (sulforhodamine B); therefore, the anomalous transport is attributed to diverse adsorptive behavior of the polydisperse NOM sample rather than to physical heterogeneity of the porous medium. NOM BTC tailing became more pronounced with decreases in pH and increases in ionic strength, conditions previously shown to be associated with enhanced preferential adsorption of intermediate to high molecular weight NOM components. Drawing from previous work on anomalous solute transport, we develop an approach to model NOM transport within the framework of a continuous time random walk (CTRW) and show that under all conditions examined, the CTRW model is able to capture tailing of NOM BTCs by accounting for differences in transport rates of NOM fractions through a distribution of effective retardation factors. These results demonstrate the importance of considering effects of adsorptive fractionation on NOM mobility, and illustrate the ability of the CTRW model to describe transport of a multicomponent solute. PMID:24596449

  11. An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

    PubMed Central

    Willis, Matthew P.; Stevenson, Shawn M.; Pearl, Thomas P.; Mantooth, Brent A.

    2014-01-01

    The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX. PMID:25226346

  12. An inverse analysis approach to the characterization of chemical transport in paints.

    PubMed

    Willis, Matthew P; Stevenson, Shawn M; Pearl, Thomas P; Mantooth, Brent A

    2014-08-29

    The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in understanding contaminant mass transport and the ability to decontaminate materials. If a material is contaminated, over time, the transport of highly toxic chemicals (such as chemical warfare agent species) out of the material can result in vapor exposure or transfer to the skin, which can result in percutaneous exposure to personnel who interact with the material. Due to the high toxicity of chemical warfare agents, the release of trace chemical quantities is of significant concern. Mapping subsurface concentration distribution and transport characteristics of absorbed agents enables exposure hazards to be assessed in untested conditions. Furthermore, these tools can be used to characterize subsurface reaction dynamics to ultimately design improved decontaminants or decontamination procedures. To achieve this goal, an inverse analysis mass transport modeling approach was developed that utilizes time-resolved mass spectroscopy measurements of vapor emission from contaminated paint coatings as the input parameter for calculation of subsurface concentration profiles. Details are provided on sample preparation, including contaminant and material handling, the application of mass spectrometry for the measurement of emitted contaminant vapor, and the implementation of inverse analysis using a physics-based diffusion model to determine transport properties of live chemical warfare agents including distilled mustard (HD) and the nerve agent VX.

  13. A sequential partly iterative approach for multicomponent reactive transport with CORE2D

    SciTech Connect

    Samper, J.; Xu, T.; Yang, C.

    2008-11-01

    CORE{sup 2D} V4 is a finite element code for modeling partly or fully saturated water flow, heat transport and multicomponent reactive solute transport under both local chemical equilibrium and kinetic conditions. It can handle coupled microbial processes and geochemical reactions such as acid-base, aqueous complexation, redox, mineral dissolution/precipitation, gas dissolution/exsolution, ion exchange, sorption via linear and nonlinear isotherms, sorption via surface complexation. Hydraulic parameters may change due to mineral precipitation/dissolution reactions. Coupled transport and chemical equations are solved by using sequential iterative approaches. A sequential partly-iterative approach (SPIA) is presented which improves the accuracy of the traditional sequential noniterative approach (SNIA) and is more efficient than the general sequential iterative approach (SIA). While SNIA leads to a substantial saving of computing time, it introduces numerical errors which are especially large for cation exchange reactions. SPIA improves the efficiency of SIA because the iteration between transport and chemical equations is only performed in nodes with a large mass transfer between solid and liquid phases. The efficiency and accuracy of SPIA are compared to those of SIA and SNIA using synthetic examples and a case study of reactive transport through the Llobregat Delta aquitard in Spain. SPIA is found to be as accurate as SIA while requiring significantly less CPU time. In addition, SPIA is much more accurate than SNIA with only a minor increase in computing time. A further enhancement of the efficiency of SPIA is achieved by improving the efficiency of the Newton-Raphson method used for solving chemical equations. Such an improvement is obtained by working with increments of log-concentrations and ignoring the terms of the Jacobian matrix containing derivatives of activity coefficients. A proof is given for the symmetry and non-singularity of the Jacobian matrix

  14. Evaluation of microwave landing system approaches in a wide-body transport simulator

    NASA Technical Reports Server (NTRS)

    Summers, L. G.; Feather, J. B.

    1992-01-01

    The objective of this study was to determine the suitability of flying complex curved approaches using the microwave landing system (MLS) with a wide-body transport aircraft. Fifty pilots in crews of two participated in the evaluation using a fixed-base simulator that emulated an MD-11 aircraft. Five approaches, consisting of one straight-in approach and four curved approaches, were flown by the pilots using a flight director. The test variables include the following: (1) manual and autothrottles; (2) wind direction; and (3) type of navigation display. The navigation display was either a map or a horizontal situation indicator (HSI). A complex wind that changed direction and speed with altitude, and included moderate turbulence, was used. Visibility conditions were Cat 1 or better. Subjective test data included pilot responses to questionnaires and pilot comments. Objective performance data included tracking accuracy, position error at decision height, and control activity. Results of the evaluation indicate that flying curved MLS approaches with a wide-body transport aircraft is operationally acceptable, depending upon the length of the final straight segment and the complexity of the approach.

  15. Collaborative Approaches in Developing Environmental and Safety Management Systems for Commercial Space Transportation

    NASA Technical Reports Server (NTRS)

    Zee, Stacey; Murray, D.

    2009-01-01

    The Federal Aviation Administration (FAA), Office of Commercial Space Transportation (AST) licenses and permits U.S. commercial space launch and reentry activities, and licenses the operation of non-federal launch and reentry sites. ASTs mission is to ensure the protection of the public, property, and the national security and foreign policy interests of the United States during commercial space transportation activities and to encourage, facilitate, and promote U.S. commercial space transportation. AST faces unique challenges of ensuring the protection of public health and safety while facilitating and promoting U.S. commercial space transportation. AST has developed an Environmental Management System (EMS) and a Safety Management System (SMS) to help meet its mission. Although the EMS and SMS were developed independently, the systems share similar elements. Both systems follow a Plan-Do-Act-Check model in identifying potential environmental aspects or public safety hazards, assessing significance in terms of severity and likelihood of occurrence, developing approaches to reduce risk, and verifying that the risk is reduced. This paper will describe the similarities between ASTs EMS and SMS elements and how AST is building a collaborative approach in environmental and safety management to reduce impacts to the environment and risks to the public.

  16. Improved master equation approach to quantum transport: from Born to self-consistent Born approximation.

    PubMed

    Jin, Jinshuang; Li, Jun; Liu, Yu; Li, Xin-Qi; Yan, YiJing

    2014-06-28

    Beyond the second-order Born approximation, we propose an improved master equation approach to quantum transport under self-consistent Born approximation. The basic idea is to replace the free Green's function in the tunneling self-energy diagram by an effective reduced propagator under the Born approximation. This simple modification has remarkable consequences. It not only recovers the exact results for quantum transport through noninteracting systems under arbitrary voltages, but also predicts the challenging nonequilibrium Kondo effect. Compared to the nonequilibrium Green's function technique that formulates the calculation of specific correlation functions, the master equation approach contains richer dynamical information to allow more efficient studies for such as the shot noise and full counting statistics.

  17. A Two-Stage Approach for Medical Supplies Intermodal Transportation in Large-Scale Disaster Responses

    PubMed Central

    Ruan, Junhu; Wang, Xuping; Shi, Yan

    2014-01-01

    We present a two-stage approach for the “helicopters and vehicles” intermodal transportation of medical supplies in large-scale disaster responses. In the first stage, a fuzzy-based method and its heuristic algorithm are developed to select the locations of temporary distribution centers (TDCs) and assign medial aid points (MAPs) to each TDC. In the second stage, an integer-programming model is developed to determine the delivery routes. Numerical experiments verified the effectiveness of the approach, and observed several findings: (i) More TDCs often increase the efficiency and utility of medical supplies; (ii) It is not definitely true that vehicles should load more and more medical supplies in emergency responses; (iii) The more contrasting the traveling speeds of helicopters and vehicles are, the more advantageous the intermodal transportation is. PMID:25350005

  18. A two-stage approach for medical supplies intermodal transportation in large-scale disaster responses.

    PubMed

    Ruan, Junhu; Wang, Xuping; Shi, Yan

    2014-10-27

    We present a two-stage approach for the "helicopters and vehicles" intermodal transportation of medical supplies in large-scale disaster responses. In the first stage, a fuzzy-based method and its heuristic algorithm are developed to select the locations of temporary distribution centers (TDCs) and assign medial aid points (MAPs) to each TDC. In the second stage, an integer-programming model is developed to determine the delivery routes. Numerical experiments verified the effectiveness of the approach, and observed several findings: (i) More TDCs often increase the efficiency and utility of medical supplies; (ii) It is not definitely true that vehicles should load more and more medical supplies in emergency responses; (iii) The more contrasting the traveling speeds of helicopters and vehicles are, the more advantageous the intermodal transportation is.

  19. Impact of food, housing, and transportation insecurity on ART adherence: a hierarchical resources approach.

    PubMed

    Cornelius, Talea; Jones, Maranda; Merly, Cynthia; Welles, Brandi; Kalichman, Moira O; Kalichman, Seth C

    2017-04-01

    Antiretroviral therapy (ART) has transformed HIV into a manageable illness. However, high levels of adherence must be maintained. Lack of access to basic resources (food, transportation, and housing) has been consistently associated with suboptimal ART adherence. Moving beyond such direct effects, this study takes a hierarchical resources approach in which the effects of access to basic resources on ART adherence are mediated through interpersonal resources (social support and care services) and personal resources (self-efficacy). Participants were 915 HIV-positive men and women living in Atlanta, GA, recruited from community centers and infectious disease clinics. Participants answered baseline questionnaires, and provided prospective data on ART adherence. Across a series of nested models, a consistent pattern emerged whereby lack of access to basic resources had indirect, negative effects on adherence, mediated through both lack of access to social support and services, and through lower treatment self-efficacy. There was also a significant direct effect of lack of access to transportation on adherence. Lack of access to basic resources negatively impacts ART adherence. Effects for housing instability and food insecurity were fully mediated through social support, access to services, and self-efficacy, highlighting these as important targets for intervention. Targeting service supports could be especially beneficial due to the potential to both promote adherence and to link clients with other services to supplement food, housing, and transportation. Inability to access transportation had a direct negative effect on adherence, suggesting that free or reduced cost transportation could positively impact ART adherence among disadvantaged populations.

  20. Design approaches and parameters for magnetically levitated transport systems. [Null flux suspension (Maglev)

    SciTech Connect

    Danby, G.T.; Powell, J.R.

    1988-01-01

    Mechanically levitated transport system approaches are assessed with regard to thrust power needs, track cost, suspension stability, and safety. The null flux suspension appears as the favored approach, having the least thrust power requirements, highest stability, and lowest amount of track material. Various null flux configurations are described together with their operating parameters. The Linear Synchronous Motor (LSM) propulsion system is also described for propelling the suspended vehicles. Cryogenics and superconductivity aspects are discussed and the effect of high T/sub c/ superconductors evaluated. 13 refs., 16 figs., 2 tabs.

  1. An approach to market analysis for lighter than air transportation of freight

    NASA Technical Reports Server (NTRS)

    Roberts, P. O.; Marcus, H. S.; Pollock, J. H.

    1975-01-01

    An approach is presented to marketing analysis for lighter than air vehicles in a commercial freight market. After a discussion of key characteristics of supply and demand factors, a three-phase approach to marketing analysis is described. The existing transportation systems are quantitatively defined and possible roles for lighter than air vehicles within this framework are postulated. The marketing analysis views the situation from the perspective of both the shipper and the carrier. A demand for freight service is assumed and the resulting supply characteristics are determined. Then, these supply characteristics are used to establish the demand for competing modes. The process is then iterated to arrive at the market solution.

  2. Towards a realistic approach to validation of reactive transport models for performance assessment

    SciTech Connect

    Siegel, M.D.

    1993-12-31

    Performance assessment calculations are based on geochemical models that assume that interactions among radionuclides, rocks and groundwaters under natural conditions, can be estimated or bound by data obtained from laboratory-scale studies. The data include radionuclide distribution coefficients, measured in saturated batch systems of powdered rocks, and retardation factors measured in short-term column experiments. Traditional approaches to model validation cannot be applied in a straightforward manner to the simple reactive transport models that use these data. An approach to model validation in support of performance assessment is described in this paper. It is based on a recognition of different levels of model validity and is compatible with the requirements of current regulations for high-level waste disposal. Activities that are being carried out in support of this approach include (1) laboratory and numerical experiments to test the validity of important assumptions inherent in current performance assessment methodologies,(2) integrated transport experiments, and (3) development of a robust coupled reaction/transport code for sensitivity analyses using massively parallel computers.

  3. Absolutely and uniformly convergent iterative approach to inverse scattering with an infinite radius of convergence

    DOEpatents

    Kouri, Donald J.; Vijay, Amrendra; Zhang, Haiyan; Zhang, Jingfeng; Hoffman, David K.

    2007-05-01

    A method and system for solving the inverse acoustic scattering problem using an iterative approach with consideration of half-off-shell transition matrix elements (near-field) information, where the Volterra inverse series correctly predicts the first two moments of the interaction, while the Fredholm inverse series is correct only for the first moment and that the Volterra approach provides a method for exactly obtaining interactions which can be written as a sum of delta functions.

  4. Surrogate model approach for improving the performance of reactive transport simulations

    NASA Astrophysics Data System (ADS)

    Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris

    2016-04-01

    Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines

  5. Component mode synthesis approach for quantum mechanical electrostatic and transport analysis of nanoscale structures and devices

    NASA Astrophysics Data System (ADS)

    Gao, Zhe

    As the dimensions of commonly used semiconductor devices have shrunk into nanometer regime, it is recognized that the influence of quantum effects on their electrostatic and transport properties cannot be ignored. In the past few decades, various computational models and approaches have been developed to analyze these properties in nanostructures and devices. Among these computational models, the Schrodinger-Poisson model has been widely adopted for quantum mechanical electrostatic and transport analysis of nanostructures and devices such as quantum wires, metal--oxide--semiconductor field effect transistors (MOSFETs) and nanoelectromechanical systems (NEMS). The numerical results allow for evaluations of the electrical properties such as charge concentration and potential profile in these structures. The emergence of MOSFETs with multiple gates, such as Trigates, FinFETs and Pi-gates, offers a superior electrostatic control of devices by the gates, which can be therefore used to reduce the short channel effects within those devices. Full 2-D electrostatic and transport analysis enables a better understanding of the scalability of devices, geometric effects on the potential and charge distribution, and transport characteristics of the transistors. The Schrodinger-Poisson model is attractive due to its simplicity and straightforward implementation by using standard numerical methods. However, as it is required to solve a generalized eigenvalue problem generated from the discretization of the Schrodinger equation, the computational cost of the analysis increases quickly when the system's degrees of freedom (DOFs) increase. For this reason, techniques that enable an efficient solution of discretized Schrodinger equation in multidimensional domains are desirable. In this work, we seek to accelerate the numerical solution of the Schrodinger equation by using a component mode synthesis (CMS) approach. In the CMS approach, a nanostructure is divided into a set of

  6. A non-equilibrium equation-of-motion approach to quantum transport utilizing projection operators.

    PubMed

    Ochoa, Maicol A; Galperin, Michael; Ratner, Mark A

    2014-11-12

    We consider a projection operator approach to the non-equilibrium Green function equation-of-motion (PO-NEGF EOM) method. The technique resolves problems of arbitrariness in truncation of an infinite chain of EOMs and prevents violation of symmetry relations resulting from the truncation (equivalence of left- and right-sided EOMs is shown and symmetry with respect to interchange of Fermi or Bose operators before truncation is preserved). The approach, originally developed by Tserkovnikov (1999 Theor. Math. Phys. 118 85) for equilibrium systems, is reformulated to be applicable to time-dependent non-equilibrium situations. We derive a canonical form of EOMs, thus explicitly demonstrating a proper result for the non-equilibrium atomic limit in junction problems. A simple practical scheme applicable to quantum transport simulations is formulated. We perform numerical simulations within simple models and compare results of the approach to other techniques and (where available) also to exact results.

  7. Two-scale approach for the coupled heat and moisture transport

    NASA Astrophysics Data System (ADS)

    Kruis, Jaroslav; Krejčí, Tomáš

    2016-06-01

    This paper describes two-level approach for coupled heat and moisture transport in masonry structures. Motivation for two-level description comes from two major difficulties connected with masonry. First, the size of stone blocks is much larger than the size of mortar layers and very fine mesh has to be used. Second, the masonry composition is always random and therefore the concept of representative volume is reasonable. In two-level approach, the macro-scale level deals with a structure while the meso-scale level is concentrated on detailed composition of the masonry. Connection between the macro and meso level will be described. This two-level approach is suitable for parallel computers.

  8. Particle production and equilibrium properties within a new hadron transport approach for heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Weil, J.; Steinberg, V.; Staudenmaier, J.; Pang, L. G.; Oliinychenko, D.; Mohs, J.; Kretz, M.; Kehrenberg, T.; Goldschmidt, A.; Bäuchle, B.; Auvinen, J.; Attems, M.; Petersen, H.

    2016-11-01

    The microscopic description of heavy-ion reactions at low beam energies is achieved within hadronic transport approaches. In this article a new approach called "Simulating Many Accelerated Strongly interacting Hadrons" (SMASH) is introduced and applied to study the production of nonstrange particles in heavy-ion reactions at Ekin=0.4 A -2 A GeV. First, the model is described including details about the collision criterion, the initial conditions and the resonance formation and decays. To validate the approach, equilibrium properties such as detailed balance are presented and the results are compared to experimental data for elementary cross sections. Finally results for pion and proton production in C+C and Au+Au collisions is confronted with data from the high-acceptance dielectron spectrometer (HADES) and FOPI. Predictions for particle production in π +A collisions are made.

  9. Evaluation of Different Modeling Approaches to Simulate Contaminant Transport in a Fractured Limestone Aquifer

    NASA Astrophysics Data System (ADS)

    Mosthaf, K.; Rosenberg, L.; Balbarini, N.; Broholm, M. M.; Bjerg, P. L.; Binning, P. J.

    2014-12-01

    It is important to understand the fate and transport of contaminants in limestone aquifers because they are a major drinking water resource. This is challenging because they are highly heterogeneous; with micro-porous grains, flint inclusions, and being heavily fractured. Several modeling approaches have been developed to describe contaminant transport in fractured media, such as the discrete fracture (with various fracture geometries), equivalent porous media (with and without anisotropy), and dual porosity models. However, these modeling concepts are not well tested for limestone geologies. Given available field data and model purpose, this paper therefore aims to develop, examine and compare modeling approaches for transport of contaminants in fractured limestone aquifers. The model comparison was conducted for a contaminated site in Denmark, where a plume of a dissolved contaminant (PCE) has migrated through a fractured limestone aquifer. Multilevel monitoring wells have been installed at the site and available data includes information on spill history, extent of contamination, geology and hydrogeology. To describe the geology and fracture network, data from borehole logs was combined with an analysis of heterogeneities and fractures from a nearby excavation (analog site). Methods for translating the geological information and fracture mapping into each of the model concepts were examined. Each model was compared with available field data, considering both model fit and measures of model suitability. An analysis of model parameter identifiability and sensitivity is presented. Results show that there is considerable difference between modeling approaches, and that it is important to identify the right one for the actual scale and model purpose. A challenge in the use of field data is the determination of relevant hydraulic properties and interpretation of aqueous and solid phase contaminant concentration sampling data. Traditional water sampling has a bias

  10. A Fuzzy Approach of the Competition on the Air Transport Market

    NASA Technical Reports Server (NTRS)

    Charfeddine, Souhir; DeColigny, Marc; Camino, Felix Mora; Cosenza, Carlos Alberto Nunes

    2003-01-01

    The aim of this communication is to study with a new scope the conditions of the equilibrium in an air transport market where two competitive airlines are operating. Each airline is supposed to adopt a strategy maximizing its profit while its estimation of the demand has a fuzzy nature. This leads each company to optimize a program of its proposed services (frequency of the flights and ticket prices) characterized by some fuzzy parameters. The case of monopoly is being taken as a benchmark. Classical convex optimization can be used to solve this decision problem. This approach provides the airline with a new decision tool where uncertainty can be taken into account explicitly. The confrontation of the strategies of the companies, in the ease of duopoly, leads to the definition of a fuzzy equilibrium. This concept of fuzzy equilibrium is more general and can be applied to several other domains. The formulation of the optimization problem and the methodological consideration adopted for its resolution are presented in their general theoretical aspect. In the case of air transportation, where the conditions of management of operations are critical, this approach should offer to the manager elements needed to the consolidation of its decisions depending on the circumstances (ordinary, exceptional events,..) and to be prepared to face all possibilities. Keywords: air transportation, competition equilibrium, convex optimization , fuzzy modeling,

  11. Unified approach to ion transport and structural relaxation in amorphous polymers and glasses.

    PubMed

    Ingram, Malcolm D; Imrie, Corrie T; Ledru, Jacques; Hutchinson, John M

    2008-01-24

    Kinetic data for structural relaxation in silver iodomolybdates at the glass transition temperature (Tg) are obtained by high-pressure differential scanning calorimetry (HP-DSC) and are compared with activation energies (EA) and volumes (VA) obtained earlier from conductivities below Tg. The results are fitted to an empirical equation, EA = MVA, and displayed in the form of a master plot of EA versus VA, an approach previously applied to strongly coupled systems, including polymer electrolytes and molten salts above their glass transition temperatures. The parameter M emerges as a localized modulus, expressive of interatomic forces within the medium, linking together EA,sigma, VA,sigma and EA,s, VA,s, the "apparent" activation parameters for ionic conductivity and structural relaxation, respectively. The VA and EA values for ion transport are much smaller than the corresponding values for structural relaxation. However, remarkably close agreement emerges between the "process parameters", Ms and Msigma, both close to 8 GPa, thus establishing a quantitative link between ion transport and structural relaxation in this highly decoupled system. A new EA versus VA master plot is constructed, which points the way to a unified approach to ion transport in polymers and glasses.

  12. A simple approach to fabricate the rose petal-like hierarchical surfaces for droplet transportation

    NASA Astrophysics Data System (ADS)

    Yuan, Chao; Huang, Mengyu; Yu, Xingjian; Ma, Yupu; Luo, Xiaobing

    2016-11-01

    Precise transportation of liquid microdroplets is a great challenge in the microfluidic field. A sticky superhydrophobic surface with a high static contact angle (CA) and a large contact angle hysteresis (CAH) is recognized as the favorable tool to deal with the challenging job. Some approaches have been proposed to fabricate such surface, such as mimicing the dual-scale hierarchical structure of a natural material, like rose petal. However, the available approaches normally require multiple processing steps or are carried out with great expense. In this study, we report a straightforward and inexpensive method for fabricating the sticky superhydrophobic surfaces. The fabrication relies on electroless galvanic deposition to coat the copper substrates with a textured layer of silver. The whole fabrication process is carried out under ambient conditions by using conventional laboratory materials and equipments, and generally take less than 15 min. Despite the simplicity of this fabrication method, the rose petal-like hierarchical structures and the corresponding sticky superhydrophobic wetting properties were well achieved on the artificial surfaces. For instance, the surface with a deposition time of 10 s exhibits the superhydrophobity with a CA of 151.5°, and the effective stickiness with a CAH of 56.5°. The prepared sticky superhydrophobic surfaces are finally shown in the application of droplet transportation, in which the surface acts as a mechanical hand to grasp and transport the water droplet.

  13. An expected consequence approach to route choice in the maritime transportation of crude oil.

    PubMed

    Siddiqui, Atiq; Verma, Manish

    2013-11-01

    Maritime transportation is the major conduit of international trade, and the primary link for global crude oil movement. Given the volume of oil transported on international maritime links, it is not surprising that oil spills of both minor and major types result, although most of the risk-related work has been confined to the local settings. We propose an expected consequence approach for assessing oil-spill risk from intercontinental transportation of crude oil that not only adheres to the safety guidelines specified by the International Maritime Organization but also outlines a novel technique that makes use of coarse global data to estimate accident probabilities. The proposed estimation technique, together with four of the most popular cost-of-spill models from the literature, were applied to study and analyze a realistic size problem instance. Numerical analyses showed that: a shorter route may not necessarily be less risky; an understanding of the inherent oil-spill risk of different routes could potentially facilitate tanker routing decisions; and the associated negotiations over insurance premium between the transport company and the not-for-profit prevention and indemnity clubs. Finally, we note that only the linear model should be used with one of the three nonlinear cost-of-spill models for evaluating tanker routes.

  14. Motion/visual cueing requirements for vortex encounters during simulated transport visual approach and landing

    NASA Technical Reports Server (NTRS)

    Parrish, R. V.; Bowles, R. L.

    1983-01-01

    This paper addresses the issues of motion/visual cueing fidelity requirements for vortex encounters during simulated transport visual approaches and landings. Four simulator configurations were utilized to provide objective performance measures during simulated vortex penetrations, and subjective comments from pilots were collected. The configurations used were as follows: fixed base with visual degradation (delay), fixed base with no visual degradation, moving base with visual degradation (delay), and moving base with no visual degradation. The statistical comparisons of the objective measures and the subjective pilot opinions indicated that although both minimum visual delay and motion cueing are recommended for the vortex penetration task, the visual-scene delay characteristics were not as significant a fidelity factor as was the presence of motion cues. However, this indication was applicable to a restricted task, and to transport aircraft. Although they were statistically significant, the effects of visual delay and motion cueing on the touchdown-related measures were considered to be of no practical consequence.

  15. A single-molecule approach to explore binding, uptake and transport of cancer cell targeting nanotubes

    NASA Astrophysics Data System (ADS)

    Lamprecht, C.; Plochberger, B.; Ruprecht, V.; Wieser, S.; Rankl, C.; Heister, E.; Unterauer, B.; Brameshuber, M.; Danzberger, J.; Lukanov, P.; Flahaut, E.; Schütz, G.; Hinterdorfer, P.; Ebner, A.

    2014-03-01

    In the past decade carbon nanotubes (CNTs) have been widely studied as a potential drug-delivery system, especially with functionality for cellular targeting. Yet, little is known about the actual process of docking to cell receptors and transport dynamics after internalization. Here we performed single-particle studies of folic acid (FA) mediated CNT binding to human carcinoma cells and their transport inside the cytosol. In particular, we employed molecular recognition force spectroscopy, an atomic force microscopy based method, to visualize and quantify docking of FA functionalized CNTs to FA binding receptors in terms of binding probability and binding force. We then traced individual fluorescently labeled, FA functionalized CNTs after specific uptake, and created a dynamic ‘roadmap’ that clearly showed trajectories of directed diffusion and areas of nanotube confinement in the cytosol. Our results demonstrate the potential of a single-molecule approach for investigation of drug-delivery vehicles and their targeting capacity.

  16. Comparison of Flamelet Models with the Transported Mass Fraction Approach for Supersonic Combustion

    NASA Astrophysics Data System (ADS)

    Li, Wenhai; Alabi, Ken; Ladeinde, Foluso

    2015-11-01

    In this study, two fully compressible RANS, LES, and combined RANS/LES flow solvers - AEROFLO and VULCAN, both of which were originally developed by the United States Department of Defense but have since been significantly enhanced and commercialized by our organization, are used to investigate the accuracy of flamelet-based approach when employed to model supersonic combustion. The flamelet results from both codes are assessed relative to solutions obtained by solving the transport equations for the mass fractions - which is also supported by one of the codes, and making familiar assumptions about the closure of the reaction rate. The studies are carried out in the flamelet regime, and the numerical procedures are based on high-order schemes, which are also used to solve the level-set and mixture fraction transport equations used to study, respectively, premixed and non-premixed combustion. The effects of supersonic Mach numbers on the results are discussed.

  17. Unified semiclassical approach to electronic transport from diffusive to ballistic regimes

    NASA Astrophysics Data System (ADS)

    Geng, Hao; Deng, Wei-Yin; Ren, Yue-Jiao; Sheng, Li; Xing, Ding-Yu

    2016-09-01

    We show that by integrating out the electric field and incorporating proper boundary conditions, a Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General analytical formulas of the conductance in D = 1,2,3 dimensions are obtained, which recover the Boltzmann-Drude formula and Landauer-Büttiker formula in the diffusive and ballistic limits, respectively. This intuitive and efficient approach can be applied to investigate the interplay of system size and impurity scattering in various charge and spin transport phenomena, when the quantum interference effect is not important. Project supported by the National Basic Research Program of China (Grant Nos. 2015CB921202 and 2014CB921103) and the National Natural Science Foundation of China (Grant No. 11225420).

  18. Physical Activity through Sustainable Transport Approaches (PASTA): a study protocol for a multicentre project

    PubMed Central

    de Nazelle, Audrey; Nieuwenhuijsen, Mark; Panis, Luc Int; Anaya, Esther; Avila-Palencia, Ione; Boschetti, Florinda; Brand, Christian; Cole-Hunter, Tom; Dons, Evi; Eriksson, Ulf; Gaupp-Berghausen, Mailin; Kahlmeier, Sonja; Laeremans, Michelle; Mueller, Natalie; Orjuela, Juan Pablo; Racioppi, Francesca; Raser, Elisabeth; Rojas-Rueda, David; Schweizer, Christian; Standaert, Arnout; Uhlmann, Tina; Wegener, Sandra; Götschi, Thomas

    2016-01-01

    Introduction Only one-third of the European population meets the minimum recommended levels of physical activity (PA). Physical inactivity is a major risk factor for non-communicable diseases. Walking and cycling for transport (active mobility, AM) are well suited to provide regular PA. The European research project Physical Activity through Sustainable Transport Approaches (PASTA) pursues the following aims: (1) to investigate correlates and interrelations of AM, PA, air pollution and crash risk; (2) to evaluate the effectiveness of selected interventions to promote AM; (3) to improve health impact assessment (HIA) of AM; (4) to foster the exchange between the disciplines of public health and transport planning, and between research and practice. Methods and analysis PASTA pursues a mixed-method and multilevel approach that is consistently applied in seven case study cities. Determinants of AM and the evaluation of measures to increase AM are investigated through a large scale longitudinal survey, with overall 14 000 respondents participating in Antwerp, Barcelona, London, Örebro, Rome, Vienna and Zurich. Contextual factors are systematically gathered in each city. PASTA generates empirical findings to improve HIA for AM, for example, with estimates of crash risks, factors on AM-PA substitution and carbon emissions savings from mode shifts. Findings from PASTA will inform WHO's online Health Economic Assessment Tool on the health benefits from cycling and/or walking. The study's wide scope, the combination of qualitative and quantitative methods and health and transport methods, the innovative survey design, the general and city-specific analyses, and the transdisciplinary composition of the consortium and the wider network of partners promise highly relevant insights for research and practice. Ethics and dissemination Ethics approval has been obtained by the local ethics committees in the countries where the work is being conducted, and sent to the European

  19. PARTICLE TRANSPORTATION AND DEPOSITION IN HOT GAS FILTER VESSELS - A COMPUTATIONAL AND EXPERIMENTAL MODELING APPROACH

    SciTech Connect

    Goodarz Ahmadi

    2002-07-01

    In this project, a computational modeling approach for analyzing flow and ash transport and deposition in filter vessels was developed. An Eulerian-Lagrangian formulation for studying hot-gas filtration process was established. The approach uses an Eulerian analysis of gas flows in the filter vessel, and makes use of the Lagrangian trajectory analysis for the particle transport and deposition. Particular attention was given to the Siemens-Westinghouse filter vessel at Power System Development Facility in Wilsonville in Alabama. Details of hot-gas flow in this tangential flow filter vessel are evaluated. The simulation results show that the rapidly rotation flow in the spacing between the shroud and the vessel refractory acts as cyclone that leads to the removal of a large fraction of the larger particles from the gas stream. Several alternate designs for the filter vessel are considered. These include a vessel with a short shroud, a filter vessel with no shroud and a vessel with a deflector plate. The hot-gas flow and particle transport and deposition in various vessels are evaluated. The deposition patterns in various vessels are compared. It is shown that certain filter vessel designs allow for the large particles to remain suspended in the gas stream and to deposit on the filters. The presence of the larger particles in the filter cake leads to lower mechanical strength thus allowing for the back-pulse process to more easily remove the filter cake. A laboratory-scale filter vessel for testing the cold flow condition was designed and fabricated. A laser-based flow visualization technique is used and the gas flow condition in the laboratory-scale vessel was experimental studied. A computer model for the experimental vessel was also developed and the gas flow and particle transport patterns are evaluated.

  20. Obtaining parsimonious hydraulic conductivity fields using head and transport observations: A bayesian geostatistical parameter estimation approach

    USGS Publications Warehouse

    Fienen, M.; Hunt, R.; Krabbenhoft, D.; Clemo, T.

    2009-01-01

    Flow path delineation is a valuable tool for interpreting the subsurface hydrogeochemical environment. Different types of data, such as groundwater flow and transport, inform different aspects of hydrogeologie parameter values (hydraulic conductivity in this case) which, in turn, determine flow paths. This work combines flow and transport information to estimate a unified set of hydrogeologic parameters using the Bayesian geostatistical inverse approach. Parameter flexibility is allowed by using a highly parameterized approach with the level of complexity informed by the data. Despite the effort to adhere to the ideal of minimal a priori structure imposed on the problem, extreme contrasts in parameters can result in the need to censor correlation across hydrostratigraphic bounding surfaces. These partitions segregate parameters into faci??s associations. With an iterative approach in which partitions are based on inspection of initial estimates, flow path interpretation is progressively refined through the inclusion of more types of data. Head observations, stable oxygen isotopes (18O/16O) ratios), and tritium are all used to progressively refine flow path delineation on an isthmus between two lakes in the Trout Lake watershed, northern Wisconsin, United States. Despite allowing significant parameter freedom by estimating many distributed parameter values, a smooth field is obtained. Copyright 2009 by the American Geophysical Union.

  1. Reactive solute transport in streams: A surface complexation approach for trace metal sorption

    USGS Publications Warehouse

    Runkel, R.L.; Kimball, B.A.; McKnight, Diane M.; Bencala, K.E.

    1999-01-01

    A model for trace metals that considers in-stream transport, metal oxide precipitation-dissolution, and pH-dependent sorption is presented. Linkage between a surface complexation submodel and the stream transport equations provides a framework for modeling sorption onto static and/or dynamic surfaces. A static surface (e.g., an iron-oxide-coated streambed) is defined as a surface with a temporally constant solid concentration. Limited contact between solutes in the water column and the static surface is considered using a pseudokinetic approach. A dynamic surface (e.g., freshly precipitated metal oxides) has a temporally variable solid concentration and is in equilibrium with the water column. Transport and deposition of solute mass sorbed to the dynamic surface is represented in the stream transport equations that include precipitate settling. The model is applied to a pH-modification experiment in an acid mine drainage stream. Dissolved copper concentrations were depressed for a 3 hour period in response to the experimentally elevated pH. After passage of the pH front, copper was desorbed, and dissolved concentrations returned to ambient levels. Copper sorption is modeled by considering sorption to aged hydrous ferric oxide (HFO) on the streambed (static surface) and freshly precipitated HFO in the water column (dynamic surface). Comparison of parameter estimates with reported values suggests that naturally formed iron oxides may be more effective in removing trace metals than synthetic oxides used in laboratory studies. The model's ability to simulate pH, metal oxide precipitation-dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between trace metal chemistry and hydrologic transport at the field scale.

  2. Modeling bed load transport and step-pool morphology with a reduced-complexity approach

    NASA Astrophysics Data System (ADS)

    Saletti, Matteo; Molnar, Peter; Hassan, Marwan A.; Burlando, Paolo

    2016-04-01

    Steep mountain channels are complex fluvial systems, where classical methods developed for lowland streams fail to capture the dynamics of sediment transport and bed morphology. Estimations of sediment transport based on average conditions have more than one order of magnitude of uncertainty because of the wide grain-size distribution of the bed material, the small relative submergence of coarse grains, the episodic character of sediment supply, and the complex boundary conditions. Most notably, bed load transport is modulated by the structure of the bed, where grains are imbricated in steps and similar bedforms and, therefore, they are much more stable then predicted. In this work we propose a new model based on a reduced-complexity (RC) approach focused on the reproduction of the step-pool morphology. In our 2-D cellular-automaton model entrainment, transport and deposition of particles are considered via intuitive rules based on physical principles. A parsimonious set of parameters allows the control of the behavior of the system, and the basic processes can be considered in a deterministic or stochastic way. The probability of entrainment of grains (and, as a consequence, particle travel distances and resting times) is a function of flow conditions and bed topography. Sediment input is fed at the upper boundary of the channel at a constant or variable rate. Our model yields realistic results in terms of longitudinal bed profiles and sediment transport trends. Phases of aggradation and degradation can be observed in the channel even under a constant input and the memory of the morphology can be quantified with long-range persistence indicators. Sediment yield at the channel outlet shows intermittency as observed in natural streams. Steps are self-formed in the channel and their stability is tested against the model parameters. Our results show the potential of RC models as complementary tools to more sophisticated models. They provide a realistic description of

  3. Creating Intelligent Computer Workstation of a Freight Officer in a Single Information Space of Railway Transport: Synergetic Approach

    ERIC Educational Resources Information Center

    Malybaev, Saken K.; Malaybaev, Nurlan S.; Isina, Botakoz M.; Kenzhekeeva, Akbope R.; Khuangan, Nurbol

    2016-01-01

    The article presents the results of researches aimed at the creation of automated workplaces for railway transport specialists with the help of intelligent information systems. The analysis of tendencies of information technologies development in the transport network was conducted. It was determined that the most effective approach is to create…

  4. Lattice hydrodynamic model based traffic control: A transportation cyber-physical system approach

    NASA Astrophysics Data System (ADS)

    Liu, Hui; Sun, Dihua; Liu, Weining

    2016-11-01

    Lattice hydrodynamic model is a typical continuum traffic flow model, which describes the jamming transition of traffic flow properly. Previous studies in lattice hydrodynamic model have shown that the use of control method has the potential to improve traffic conditions. In this paper, a new control method is applied in lattice hydrodynamic model from a transportation cyber-physical system approach, in which only one lattice site needs to be controlled in this control scheme. The simulation verifies the feasibility and validity of this method, which can ensure the efficient and smooth operation of the traffic flow.

  5. Automatic guidance and control of a transport aircraft during a helical landing approach

    NASA Technical Reports Server (NTRS)

    Crawford, D. J.

    1975-01-01

    A linear optimal regulator theory was applied to a nonlinear simulation of a transport aircraft performing a helical landing approach. A closed-form expression for the quasi-steady nominal flight path is presented along with the method for determining the corresponding constant nominal control inputs. The Jacobian matrices and the weighting matrices in the cost functional were time varying. A method of solving for the optimal feedback gains is reviewed. The control system was tested on several alternative landing approaches using both 3 deg and 6 deg flight path angles. On each landing approach, the aircraft was subjected to large random initial-state errors and to randomly directed crosswinds. The system was also tested for sensitivity to changes in the parameters of the aircraft and of the atmosphere. Results indicate that performance of the optimal controller on all the 3 deg approaches is very good. The control system proved to be reasonably insensitive to parametric uncertainties. Performance is not as good on the 6 deg approaches. A modification to the 6 deg flight path was proposed for the purpose of improving performance.

  6. Fixed base simulator study of an externally blown flap STOL transport airplane during approach and landing

    NASA Technical Reports Server (NTRS)

    Grantham, W. D.; Nguyen, L. T.; Patton, J. M., Jr.; Deal, P. L.; Champine, R. A.; Carter, C. R.

    1972-01-01

    A fixed-base simulator study was conducted to determine the flight characteristics of a representative STOL transport having a high wing and equipped with an external-flow jet flap in combination with four high-bypass-ratio fan-jet engines during the approach and landing. Real-time digital simulation techniques were used. The computer was programed with equations of motion for six degrees of freedom and the aerodynamic inputs were based on measured wind-tunnel data. A visual display of a STOL airport was provided for simulation of the flare and touchdown characteristics. The primary piloting task was an instrument approach to a breakout at a 200-ft ceiling with a visual landing.

  7. Quantum transport: A unified approach via a multivariate hypergeometric generating function

    NASA Astrophysics Data System (ADS)

    Macedo-Junior, A. F.; Macêdo, A. M. S.

    2014-07-01

    We introduce a characteristic function method to describe charge-counting statistics (CCS) in phase coherent systems that directly connects the three most successful approaches to quantum transport: random-matrix theory (RMT), the nonlinear σ-model and the trajectory-based semiclassical method. The central idea is the construction of a generating function based on a multivariate hypergeometric function, which can be naturally represented in terms of quantities that are well-defined in each approach. We illustrate the power of our scheme by obtaining exact analytical results for the first four cumulants of CCS in a chaotic quantum dot coupled ideally to electron reservoirs via perfectly conducting leads with arbitrary number of open scattering channels.

  8. Three-dimensional Neumann-series approach to model light transport in nonuniform media

    PubMed Central

    Jha, Abhinav K.; Kupinski, Matthew A.; Barrett, Harrison H.; Clarkson, Eric; Hartman, John H.

    2014-01-01

    We present the implementation, validation, and performance of a three-dimensional (3D) Neumann-series approach to model photon propagation in nonuniform media using the radiative transport equation (RTE). The RTE is implemented for nonuniform scattering media in a spherical harmonic basis for a diffuse-optical-imaging setup. The method is parallelizable and implemented on a computing system consisting of NVIDIA Tesla C2050 graphics processing units (GPUs). The GPU implementation provides a speedup of up to two orders of magnitude over non-GPU implementation, which leads to good computational efficiency for the Neumann-series method. The results using the method are compared with the results obtained using the Monte Carlo simulations for various small-geometry phantoms, and good agreement is observed. We observe that the Neumann-series approach gives accurate results in many cases where the diffusion approximation is not accurate. PMID:23201945

  9. A novel explicit approach to model bromide and pesticide transport in soils containing macropores

    NASA Astrophysics Data System (ADS)

    Klaus, J.; Zehe, E.

    2011-01-01

    The present study tests whether an explicit treatment of worm burrows is feasible for simulating water flow, bromide and pesticide transport in structured heterogeneous soils. The essence is to represent worm burrows as morphologically connected paths of low flow resistance in the spatially highly resolved model domain. A recent Monte Carlo study (Klaus and Zehe, 2010) revealed that this approach allowed successful reproduction of tile drain event discharge recorded during an irrigation experiment at a tile drained field site. However, several "hillslope architectures" that were all consistent with the available extensive data base allowed a good reproduction of tile drain flow response. Our second objective was thus to find out whether this "equifinality" in spatial model setups may be reduced when including bromide tracer data in the model falsification process. We thus simulated transport of bromide and Isoproturon (IPU) for the 13 spatial model setups, which performed best with respect to reproduce tile drain event discharge, without any further calibration. All model setups allowed a very good prediction of the temporal dynamics of cumulated bromide leaching into the tile drain, while only four of them matched the accumulated water balance and accumulated bromide loss into the tile drain. The number of behavioural model architectures could thus be reduced to four. One of those setups was used for simulating transport of IPU, using different parameter combinations to characterise adsorption according to the Footprint data base. Simulations could, however, only reproduce the observed leaching behaviour, when we allowed for retardation coefficients that were very close to one.

  10. Approaching disorder-free transport in high-mobility conjugated polymers.

    PubMed

    Venkateshvaran, Deepak; Nikolka, Mark; Sadhanala, Aditya; Lemaur, Vincent; Zelazny, Mateusz; Kepa, Michal; Hurhangee, Michael; Kronemeijer, Auke Jisk; Pecunia, Vincenzo; Nasrallah, Iyad; Romanov, Igor; Broch, Katharina; McCulloch, Iain; Emin, David; Olivier, Yoann; Cornil, Jerome; Beljonne, David; Sirringhaus, Henning

    2014-11-20

    Conjugated polymers enable the production of flexible semiconductor devices that can be processed from solution at low temperatures. Over the past 25 years, device performance has improved greatly as a wide variety of molecular structures have been studied. However, one major limitation has not been overcome; transport properties in polymer films are still limited by pervasive conformational and energetic disorder. This not only limits the rational design of materials with higher performance, but also prevents the study of physical phenomena associated with an extended π-electron delocalization along the polymer backbone. Here we report a comparative transport study of several high-mobility conjugated polymers by field-effect-modulated Seebeck, transistor and sub-bandgap optical absorption measurements. We show that in several of these polymers, most notably in a recently reported, indacenodithiophene-based donor-acceptor copolymer with a near-amorphous microstructure, the charge transport properties approach intrinsic disorder-free limits at which all molecular sites are thermally accessible. Molecular dynamics simulations identify the origin of this long sought-after regime as a planar, torsion-free backbone conformation that is surprisingly resilient to side-chain disorder. Our results provide molecular-design guidelines for 'disorder-free' conjugated polymers.

  11. Increasing oral absorption of polar neuraminidase inhibitors: a prodrug transporter approach applied to oseltamivir analogue.

    PubMed

    Gupta, Deepak; Varghese Gupta, Sheeba; Dahan, Arik; Tsume, Yasuhiro; Hilfinger, John; Lee, Kyung-Dall; Amidon, Gordon L

    2013-02-04

    Poor oral absorption is one of the limiting factors in utilizing the full potential of polar antiviral agents. The neuraminidase target site requires a polar chemical structure for high affinity binding, thus limiting oral efficacy of many high affinity ligands. The aim of this study was to overcome this poor oral absorption barrier, utilizing prodrug to target the apical brush border peptide transporter 1 (PEPT1). Guanidine oseltamivir carboxylate (GOCarb) is a highly active polar antiviral agent with insufficient oral bioavailability (4%) to be an effective therapeutic agent. In this report we utilize a carrier-mediated targeted prodrug approach to improve the oral absorption of GOCarb. Acyloxy(alkyl) ester based amino acid linked prodrugs were synthesized and evaluated as potential substrates of mucosal transporters, e.g., PEPT1. Prodrugs were also evaluated for their chemical and enzymatic stability. PEPT1 transport studies included [(3)H]Gly-Sar uptake inhibition in Caco-2 cells and cellular uptake experiments using HeLa cells overexpressing PEPT1. The intestinal membrane permeabilities of the selected prodrugs and the parent drug were then evaluated for epithelial cell transport across Caco-2 monolayers, and in the in situ rat intestinal jejunal perfusion model. Prodrugs exhibited a pH dependent stability with higher stability at acidic pHs. Significant inhibition of uptake (IC(50) <1 mM) was observed for l-valyl and l-isoleucyl amino acid prodrugs in competition experiments with [(3)H]Gly-Sar, indicating a 3-6 times higher affinity for PEPT1 compared to valacyclovir, a well-known PEPT1 substrate and >30-fold increase in affinity compared to GOCarb. The l-valyl prodrug exhibited significant enhancement of uptake in PEPT1/HeLa cells and compared favorably with the well-absorbed valacyclovir. Transepithelial permeability across Caco-2 monolayers showed that these amino acid prodrugs have a 2-5-fold increase in permeability as compared to the parent drug and

  12. A Rayleighian approach for modeling kinetics of ionic transport in polymeric media

    NASA Astrophysics Data System (ADS)

    Kumar, Rajeev; Mahalik, Jyoti P.; Bocharova, Vera; Stacy, Eric W.; Gainaru, Catalin; Saito, Tomonori; Gobet, Mallory P.; Greenbaum, Steve; Sumpter, Bobby G.; Sokolov, Alexei P.

    2017-02-01

    We report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs. This expression is used to extract mutual diffusion constants, the length scale of mutual diffusion, and thicknesses of a low-dielectric layer on the electrodes from the broadband dielectric spectroscopy measurements done for an IL and three PolyILs. Also, static dielectric permittivities of the IL and the PolyILs are determined. The extracted mutual diffusion constants are compared with the self-diffusion constants of ions measured using pulse field gradient (PFG) fluorine nuclear magnetic resonance (NMR). For the first time, excellent agreement between the diffusivities extracted from the Electrode Polarization spectra (EPS) of IL/PolyILs and those measured using the PFG-NMR are found, which allows the use of the EPS and the PFG-NMR techniques in a complimentary manner for a general understanding of the ionic transport.

  13. A numerical spectral approach to solve the dislocation density transport equation

    NASA Astrophysics Data System (ADS)

    Djaka, K. S.; Taupin, V.; Berbenni, S.; Fressengeas, C.

    2015-09-01

    A numerical spectral approach is developed to solve in a fast, stable and accurate fashion, the quasi-linear hyperbolic transport equation governing the spatio-temporal evolution of the dislocation density tensor in the mechanics of dislocation fields. The approach relies on using the Fast Fourier Transform algorithm. Low-pass spectral filters are employed to control both the high frequency Gibbs oscillations inherent to the Fourier method and the fast-growing numerical instabilities resulting from the hyperbolic nature of the transport equation. The numerical scheme is validated by comparison with an exact solution in the 1D case corresponding to dislocation dipole annihilation. The expansion and annihilation of dislocation loops in 2D and 3D settings are also produced and compared with finite element approximations. The spectral solutions are shown to be stable, more accurate for low Courant numbers and much less computation time-consuming than the finite element technique based on an explicit Galerkin-least squares scheme.

  14. Quantifying Vadose Zone Flow and Transport Uncertainties Using a Unified, Hierarchical Approach

    SciTech Connect

    Meyer, Philip D.; Murray, Christopher J.; Rockhold, Mark L.; Schaap, Marcel

    2002-06-01

    The objective of this research is to develop and demonstrate a general approach for modeling flow and transport in the heterogeneous vadose zone. The approach uses similar media scaling, geostatistics, and conditional simulation methods to estimate soil hydraulic parameters at unsampled locations from field-measured water content data and scale-mean hydraulic parameters determined from available site characterization data. Neural network methods are being developed to estimate soil hydraulic parameters from more easily measured physical property data such as bulk density, organic matter content, and percentages of sand, silt, and clay (or particle-size distributions). Field water content distributions are being estimated using various geophysical methods including neutron moderation, ground-penetrating radar, and electrical resistance tomography. One of the primary goals of this research is to determine relationships between the type of data used in model parameterization, the quantity of data available, the scale of the measurement, and the uncertainty in predictions of flow and transport using these methods. Evaluation of the relationships between available data, scale, and uncertainty are using data from a large-scale, controlled field experiment.

  15. Quantifying Vadose Zone Flow and Transport Uncertainties Using a Unified, Hierarchical Approach

    SciTech Connect

    Meyer, Philip D.; Murray, Chris J.; Rockhold, Mark L.

    2001-06-01

    The objective of this research is to develop and demonstrate a general approach for modeling flow and transport in the heterogeneous vadose zone. The approach uses similar media scaling, geostatistics, and conditional simulation methods to estimate soil hydraulic parameters at unsampled locations from field-measured water content data and scale-mean hydraulic parameters determined from available site characterization data. Neural network methods are being developed to estimate soil hydraulic parameters from more easily measured physical property data such as bulk density, organic matter content, and percentages of sand, silt, and clay (or particle-size distributions). Field water content distributions are being estimated using various geophysical methods including neutron moderation, ground-penetrating radar, and electrical resistance tomography. One of the primary goals of this research is to determine relationships between the type of data used in model parameterization, th e quantity of data available, the scale of the measurement, and the uncertainty in predictions of flow and transport using these methods. Evaluation of the relationships between available data, scale, and uncertainty will use primarily existing data from large-scale, controlled experiments.

  16. A Rayleighian approach for modeling kinetics of ionic transport in polymeric media

    DOE PAGES

    Kumar, Rajeev; Mahalik, Jyoti P.; Bocharova, Vera; ...

    2017-02-14

    Here, we report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs. This expression is used to extract mutual diffusion constants, the length scale of mutual diffusion, and thicknesses of a low-dielectric layer on the electrodes frommore » the broadband dielectric spectroscopy (BDS) measurements done for an IL and three PolyILs. Also, static dielectric permittivities of the IL and the PolyILs are determined. The extracted mutual diffusion constants are compared with the self diffusion constants of ions measured using pulse field gradient (PFG) fluorine nuclear magnetic resonance (NMR). For the first time, excellent agreements between the diffusivities extracted from the Electrode Polarization spectra (EPS) of IL/PolyILs and those measured using the PFG-NMR are found, which allows the use of the EPS and the PFG-NMR techniques in a complimentary manner for a general understanding of the ionic transport.« less

  17. A Systematic Solution Approach for Neutron Transport Problems in Diffuse Regimes

    NASA Technical Reports Server (NTRS)

    Manteuffel, T. A.; Ressel, K. J.

    1996-01-01

    A systematic solution approach for the neutron transport equation, based on a least-squares finite-element discretization, is presented. This approach includes the theory for the existence and uniqueness of the analytical as well as of the discrete solution, bounds for the discretization error, and guidance for the development of an efficient multigrid solver for the resulting discrete problem. To guarantee the accuracy of the discrete solution for diffusive regimes, a scaling transformation is applied to the transport operator prior to the discretization. The key result is the proof of the V-ellipticity and continuity of the scaled least-squares bilinear form with constants that are independent of the total cross section and the absorption cross section. For a variety of least-squares finite-element discretizations this leads to error bounds that remain valid in diffusive regimes. Moreover, for problems in slab geometry a full multigrid solver is presented with V(1, 1)-cycle convergence rates approximately equal to 0.1, independent of the size of the total cross section and the absorption cross section.

  18. A systems approach to energy management and policy in commuter rail transportation

    NASA Astrophysics Data System (ADS)

    Owan, Ransome Egimine

    1998-12-01

    This research is motivated by a recognition of energy as a significant part of the transportation problem. Energy is a long-term variable cost that is controllable. The problem is comprised of: the limited supply of energy, chronic energy deficits and oil imports, energy cost, poor fuel substitution, and the undesirable environmental effects of transportation fuels (Green House Gases and global warming). Mass transit systems are energy intensive networks and energy is a direct constraint to the supply of affordable transportation. Commuter railroads are also relatively unresponsive to energy price changes due to travel demand patterns, firm power needs and slow adoption of efficient train technologies. However, the long term energy demand is lacking in existing transportation planning philosophy. In spite of the apparent oversight, energy is as important as urban land use, funding and congestion, all of which merit explicit treatment. This research was conducted in the form of a case study of New Jersey Transit in an attempt to broaden the understanding of the long-term effects of energy in a transportation environment. The systems approach method that is driven by heuristic models was utilized to investigate energy usage, transit peer group efficiency, energy management regimes, and the tradeoffs between energy and transportation, a seldom discussed topic in the field. Implicit in systems thinking is the methodological hunt for solutions. The energy problem was divided into thinking is the methodological hunt for solutions. The energy problem was divided into smaller parts that in turn were simpler to solve. The research presented five heuristic models: Transit Energy Aggregation Model, Structural Energy Consumption Model, Traction Power Consumption Model, Conjunctive Demand Model, and a Managerial Action Module. A putative relationship was established between traction energy, car-miles, seasonal and ambient factors, without inference of direct causality. The co

  19. Nested modeling approach to quantify sediment transport pathways and temporal variability of barrier island evolution

    NASA Astrophysics Data System (ADS)

    Long, J. W.; Dalyander, S.; Sherwood, C. R.; Thompson, D. M.; Plant, N. G.

    2012-12-01

    The Chandeleur Islands, situated off the coast of Louisiana in the Gulf of Mexico, comprise a sand-starved barrier island system that has been disintegrating over the last decade. The persistent sediment transport in this area is predominantly directed alongshore but overwash and inundation during storm conditions has fragmented the island and reduced the subaerial extent by almost 75% since 2001. From 2010-2011 a sand berm was constructed along the Gulf side of the island adding 20 million cubic yards of sediment to this barrier island system. The redistribution of this sediment, particularly whether it remains in the active system and progrades the barrier island, has been evaluated using a series of numerical models and an extensive set of in situ and remote sensing observations. We have developed a coupled numerical modeling system capable of simulating morphologic evolution of the sand berm and barrier island using observations and predictions of regional and nearshore oceanographic processes. A nested approach provides large scale oceanographic information to force island evolution in a series of smaller grids, including two nearshore domains that are designed to simulate (1) the persistent alongshore sediment transport O(months-years) and (2) the overwash and breaching of the island/berm due to cross-shore forcing driven by winter cold fronts and tropical storms (O(hours-days)). The coupled model is evaluated using the observations of waves, water levels, currents, and topographic/morphologic change. Modeled processes are then used to identify the dominant sediment transport pathways and quantify the role of alongshore and cross-shore sediment transport in evolving the barrier island over a range of temporal scales.

  20. Modeling and numerical simulation of the transport processes inside DSSC using a monodomain approach

    NASA Astrophysics Data System (ADS)

    Neculae, Adrian; Paulescu, Marius; Curticapean, Dan

    2008-04-01

    Computer modeling has become a necessity in the solar cells design. A computer model allows the study of the physical behavior of the device offering valuable information on the effects of each parameter on device performance. Dye-sensitized solar cells (DSSC) have attracted a lot of interest in recent years, in research as well as in industry. In present, the development has reached a stage where detailed physical models may contribute considerably to the optimization of these devices. Up to now, there is not a comprehensive model which links material parameters of a DSSC based on TiO2 nanocrystals DSSC to the electrical performance of the whole cell, such as I-V characteristic and spectral response. Typically, a DSSC consists of two layers, a TiO2 porous structure coated with a suitable light-absorbing charge-transfer dye wetted with an iodide/triiodide redox electrolyte and a bulk electrolyte layer, sandwiched between two glass substrates which are coated with transparent conductive oxide (TCO) layers. In this paper we present a model for the transport processes inside the DSSC based on the classical transport equations in one dimension. The equations are solved using the monodomain approach, which consists of using a single set of equations, with different values for the transport coefficients inside the two regions of the computational domain. The transport coefficients for the porous medium are calculated using homogenization techniques. The model permits the computation of the dye-sensitized solar cell I-V curves and efficiency. As model application, the influence of the most important material parameters on the cell performances investigated by numerical simulation is reported.

  1. A Dual Model-Reduction Approach to Groundwater Flow and Solute Transport Simulations.

    NASA Astrophysics Data System (ADS)

    Stanko, Z.; Boyce, S. E.; Yeh, W. W. G.

    2014-12-01

    Mathematical-model reduction using singular value decomposition (SVD) has been shown to be an effective method for reducing the computer runtime of linear and nonlinear groundwater-flow models without sacrificing accuracy. The discrete empirical interpolation method (DEIM) is an alternate method of model reduction better suited for nonlinear systems. In this research, both methods are applied simultaneously to reduce the dimensionality of a 3-D unconfined groundwater-flow model: SVD to reduce the column space and DEIM to reduce the row space. The results of the dimensional reduction can approach several orders of magnitude, resulting in significantly faster simulation runtimes. The implementation and benefit of SVD/DEIM model reduction is demonstrated through its application to a synthetic, groundwater-flow and solute-transport model with groundwater extraction wells that influence of seawater intrusion. The developed methodology identifies the dominant locations (i.e. the discrete points) of the model that have the most influence on the water levels and saltwater concentrations. The result is a reduced model constructed from fewer equations (row dimension) and is projected into a reduced subspace (column dimension). The methodology first independently constructs the reduced flow and transport models such that their errors are minimized for a flow-only model and transport-only model, respectively. Once the two reduced models have been established, a density-dependent flow simulation is preformed by iterating between the flow and transport models for each time step. Further analysis of the SVD/DEIM method illustrates the tradeoff between magnitude of the reduced dimension and corresponding errors in model output, with respect to the unreduced and independently reduced models. The application of this method shows that runtime can be significantly decreased for models of this type while still maintaining control of desired model accuracy.

  2. A second order kinetic approach for modeling solute retention and transport in soils

    NASA Astrophysics Data System (ADS)

    Selim, H. M.; Amacher, M. C.

    1988-12-01

    We present a second-order kinetic approach for the description of solute retention during transport in soils. The basis for this approach is that it accounts for the sites on the soil matrix which are accessible for retention of the reactive solutes in solution. This approach was incorporated with the fully kinetic two-site model where the difference between the characteristics of the two types of sites is based on the rate of kinetic retention reactions. We also assume that the retention mechanisms are site-specific, e.g., the sorbed phase on type 1 sites may be characteristically different in their energy of reaction and/or the solute species from that on type 2 sites. The second-order two-site (SOTS) model was capable of describing the kinetic retention behavior of Cr(VI) batch data for Olivier, Windsor, and Cecil soils. Using independently measured parameters, the SOTS model was successful in predicting experimental Cr breakthrough curves (BTC's). The proposed second-order approach was also extended to the diffusion controlled mobile-immobile or two-region (SOMIM) model. The use of estimated parameters (e.g., the mobile water fraction and mass transfer coefficients) for the SOMIM model did not provide improved predictions of Cr BTC's in comparison to the SOTS model. The failure of the mobile-immobile model was attributed to the lack of nonequilibrium conditions for the two regions in these soils.

  3. A dual-permeability approach to preferential water flow and solute transport in shrinking soils

    NASA Astrophysics Data System (ADS)

    Coppola, Antonio; dragonetti, giovanna; Comegna, Alessandro; Gerke, Horst H.; Basile, Angelo

    2016-04-01

    The pore systems in most natural soils is dynamically changing due to alternating swelling and shrinkage processes, which induces changes in pore volume and pore size distribution including deformations in pore geometry. This is a serious difficulty for modeling flow and transport in dual permeability approaches, as it will also require that the geometrical deformation of both the soil matrix and the fracture porous systems be taken into account, as well as the dynamics of soil hydraulic properties in response to the domain deformations. This study follows up a previous work by the same authors extending the classical rigid (RGD) approach formerly proposed by Gerke and van Genuchten, to account for shrinking effects (SHR) in modeling water flow and solute transport in dual-permeability porous media. In this study we considered three SHR scenarios, assuming that aggregate shrinkage may change either: (i) the hydraulic properties of the two pore domains, (ii) their relative fractions, and (iii) both, hydraulic properties and fractions of the two domains. The objective was to compare simulation results obtained under the RGD and the SHR assumptions to illustrate the impact of matrix volume changes on water storage, water fluxes and solute concentrations during: 1) An infiltration process bringing an initially dry soil to saturation, 2) A drainage process starting from an initially saturated soil. For an infiltration process, the simulated wetting front and the solute concentration propagation velocity, as well as the water fluxes, water and solute exchange rates, for the three SHR scenarios significantly deviated from the RGD. By contrast, relatively similar water content profiles evolved under all scenarios during drying. Overall, compared to the RGD approach, the effect of changing the hydraulic properties and the weight of the two domains according to the shrinkage behavior of the soil aggregates induced a much more rapid response in terms of water fluxes and

  4. Impedance Analysis of Ion Transport Through Supported Lipid Membranes Doped with Ionophores: A New Kinetic Approach

    PubMed Central

    Alvarez, P. E.; Vallejo, A. E.

    2008-01-01

    Kinetics of facilitated ion transport through planar bilayer membranes are normally analyzed by electrical conductance methods. The additional use of electrical relaxation techniques, such as voltage jump, is necessary to evaluate individual rate constants. Although electrochemical impedance spectroscopy is recognized as the most powerful of the available electric relaxation techniques, it has rarely been used in connection with these kinetic studies. According to the new approach presented in this work, three steps were followed. First, a kinetic model was proposed that has the distinct quality of being general, i.e., it properly describes both carrier and channel mechanisms of ion transport. Second, the state equations for steady-state and for impedance experiments were derived, exhibiting the input–output representation pertaining to the model’s structure. With the application of a method based on the similarity transformation approach, it was possible to check that the proposed mechanism is distinguishable, i.e., no other model with a different structure exhibits the same input–output behavior for any input as the original. Additionally, the method allowed us to check whether the proposed model is globally identifiable (i.e., whether there is a single set of fit parameters for the model) when analyzed in terms of its impedance response. Thus, our model does not represent a theoretical interpretation of the experimental impedance but rather constitutes the prerequisite to select this type of experiment in order to obtain optimal kinetic identification of the system. Finally, impedance measurements were performed and the results were fitted to the proposed theoretical model in order to obtain the kinetic parameters of the system. The successful application of this approach is exemplified with results obtained for valinomycin–K+ in lipid bilayers supported onto gold substrates, i.e., an arrangement capable of emulating biological membranes. PMID:19669528

  5. Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer

    DOE PAGES

    Pelzer, Kenley M.; Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; ...

    2017-01-01

    Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. Here we propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower thanmore » most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. In conclusion, much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Lastly, our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs.« less

  6. Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer

    SciTech Connect

    Pelzer, Kenley M.; Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; Tretiak, Sergei; Bair, Raymond A.; Gray, Stephen K.; Van Voorhis, Troy; Larsen, Ross E.; Darling, Seth B.

    2017-01-01

    Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. Here we propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower than most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. In conclusion, much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Lastly, our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs.

  7. Numerical and experimental approaches to study soil transport and clogging in granular filters

    NASA Astrophysics Data System (ADS)

    Kanarska, Y.; Smith, J. J.; Ezzedine, S. M.; Lomov, I.; Glascoe, L. G.

    2012-12-01

    Failure of a dam by erosion ranks among the most serious accidents in civil engineering. The best way to prevent internal erosion is using adequate granular filters in the transition areas where important hydraulic gradients can appear. In case of cracking and erosion, if the filter is capable of retaining the eroded particles, the crack will seal and the dam safety will be ensured. Numerical modeling has proved to be a cost-effective tool for improving our understanding of physical processes. Traditionally, the consideration of flow and particle transport in porous media has focused on treating the media as continuum. Practical models typically address flow and transport based on the Darcy's law as a function of a pressure gradient and a medium-dependent permeability parameter. Additional macroscopic constitutes describe porosity, and permeability changes during the migration of a suspension through porous media. However, most of them rely on empirical correlations, which often need to be recalibrated for each application. Grain-scale modeling can be used to gain insight into scale dependence of continuum macroscale parameters. A finite element numerical solution of the Navier-Stokes equations for fluid flow together with Lagrange multiplier technique for solid particles was applied to the simulation of soil filtration in the filter layers of gravity dam. The numerical approach was validated through comparison of numerical simulations with the experimental results of base soil particle clogging in the filter layers performed at ERDC. The numerical simulation correctly predicted flow and pressure decay due to particle clogging. The base soil particle distribution was almost identical to those measured in the laboratory experiment. It is believed that the agreement between simulations and experimental data demonstrates the applicability of the proposed approach for prediction of the soil transport and clogging in embankment dams. To get more precise understanding of

  8. The Data Transport Network: A Usenet-Based Approach For Data Retrieval From Remote Field Sites

    NASA Astrophysics Data System (ADS)

    Valentic, T. A.

    2005-12-01

    The Data Transport Network coordinates the collection of scientific data, instrument telemetry and post-processing for the delivery of real-time results over the Internet from instruments located at remote field sites with limited or unreliable network connections. The system was originally developed in 1999 for the distribution of large data sets collected by the radar, lidars and imagers at the NSF upper atmosphere research facility in Sondrestrom, Greenland. The system helped to mitigate disruptions in network connectivity and optimized transfers over the site's low-bandwidth satellite link. The core idea behind the system is to transfer data files as attachments in Usenet messages. The messages collected by a local news server are periodically transmitted to other servers on the Internet when link conditions permit. If the network goes down, data files continue to be stored locally and the server will periodically attempt to deliver the files for upwards of two weeks. Using this simple approach, the Data Transport Network is able to handle a large number of independent data streams from multiple instruments. Each data stream is posted into a separate news group. There are no limitations to the types of data files that can be sent and the system uses standard Internet protocols for encoding, accessing and transmitting files. A common framework allows for new data collection or processing programs to be easily integrated. The two-way nature of the communications also allows for data to be delivered to the site as well, a feature used for the remote control of instruments. In recent years, the Data Transport Network has been applied to small, low-power embedded systems. Coupled with satellite-based communications systems such as Iridium, these miniature Data Transport servers have found application in a number of remote instrument deployments in the Arctic. SRI's involvement as a team member in Veco Polar Resources, the NSF Office of Polar Programs Arctic

  9. Prompt-photon plus jet associated photoproduction at HERA in the parton Reggeization approach

    NASA Astrophysics Data System (ADS)

    Kniehl, B. A.; Nefedov, M. A.; Saleev, V. A.

    2014-06-01

    We study the photoproduction of isolated prompt photons associated with hadron jets in the framework of the parton Reggeization approach. The cross section distributions in the transverse energies and pseudorapidities of the prompt photon and the jet as well as the azimuthal-decorrelation variables measured by the H1 and ZEUS collaborations at DESY HERA are nicely described by our predictions. The main improvements with respect to previous studies in the kT-factorization framework include the application of the Reggeized-quark formalism, the generation of exactly gauge-invariant amplitudes with off-shell initial-state quarks, and the exact treatment of the γR→γg box contribution with off-shell initial-state gluons.

  10. Impact of air pollutants from surface transport sources on human health: A modeling and epidemiological approach.

    PubMed

    Aggarwal, Preeti; Jain, Suresh

    2015-10-01

    This study adopted an integrated 'source-to-receptor' assessment paradigm in order to determine the effects of emissions from passenger transport on urban air quality and human health in the megacity, Delhi. The emission modeling was carried out for the base year 2007 and three alternate (ALT) policy scenarios along with a business as usual (BAU) scenario for the year 2021. An Activity-Structure-Emission Factor (ASF) framework was adapted for emission modeling, followed by a grid-wise air quality assessment using AERMOD and a health impact assessment using an epidemiological approach. It was observed that a 2021-ALT-III scenario resulted in a maximum concentration reduction of ~24%, ~42% and ~58% for carbon monoxide (CO), nitrogen dioxide (NO2) and particulate matter (PM), respectively, compared to a 2021-BAU scenario. Further, it results in significant reductions in respiratory and cardiovascular mortality, morbidity and Disability Adjusted Life Years (DALY) by 41% and 58% on exposure to PM2.5 and NO2 concentrations when compared to the 2021-BAU scenario, respectively. In other words, a mix of proposed policy interventions namely the full-phased introduction of the Integrated Mass Transit System, fixed bus speed, stringent vehicle emission norms and a hike in parking fees for private vehicles would help in strengthening the capability of passenger transport to cater to a growing transport demand with a minimum health burden in the Delhi region. Further, the study estimated that the transport of goods would be responsible for ~5.5% additional VKT in the 2021-BAU scenario; however, it will contribute ~49% and ~55% additional NO2 and PM2.5 concentrations, respectively, in the Delhi region. Implementation of diesel particulate filters for goods vehicles in the 2021-ALT-IV-O scenario would help in the reduction of ~87% of PM2.5 concentration, compared to the 2021-BAU scenario; translating into a gain of 1267 and 505 DALY per million people from exposure to PM2.5 and NO

  11. State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions.

    PubMed

    Zelovich, Tamar; Kronik, Leeor; Hod, Oded

    2014-08-12

    We propose a new method for simulating electron dynamics in open quantum systems out of equilibrium, using a finite atomistic model. The proposed method is motivated by the intuitive and practical nature of the driven Liouville-von-Neumann equation approach of Sánchez et al. [J. Chem. Phys. 2006, 124, 214708] and Subotnik et al. [J. Chem. Phys. 2009, 130, 144105]. A key ingredient of our approach is a transformation of the Hamiltonian matrix from an atomistic to a state representation of the molecular junction. This allows us to uniquely define the bias voltage across the system while maintaining a proper thermal electronic distribution within the finite lead models. Furthermore, it allows us to investigate complex molecular junctions, including multilead configurations. A heuristic derivation of our working equation leads to explicit expressions for the damping and driving terms, which serve as appropriate electron sources and sinks that effectively "open" the finite model system. Although the method does not forbid it, in practice we find neither violation of Pauli's exclusion principles nor deviation from density matrix positivity throughout our numerical simulations of various tight-binding model systems. We believe that the new approach offers a practical and physically sound route for performing atomistic time-dependent transport calculations in realistic molecular junction models.

  12. Quantitative Prediction of Human Renal Clearance and Drug-Drug Interactions of Organic Anion Transporter Substrates Using In Vitro Transport Data: A Relative Activity Factor Approach.

    PubMed

    Mathialagan, Sumathy; Piotrowski, Mary A; Tess, David A; Feng, Bo; Litchfield, John; Varma, Manthena V

    2017-04-01

    Organic anion transporters (OATs) are important in the renal secretion, and thus, the clearance, of many drugs; and their functional change can result in pharmacokinetic variability. In this study, we applied transport rates measured in vitro using OAT-transfected human embryonic kidney cells to predict human renal secretory and total renal clearance of 31 diverse drugs. Selective substrates to OAT1 (tenofovir), OAT2 (acyclovir and ganciclovir), and OAT3 (benzylpenicillin, oseltamivir acid) were used to obtain relative activity factors (RAFs) for these individual transporters by relating in vitro transport clearance (after physiologic scaling) to in vivo secretory clearance. Using the estimated RAFs (0.64, 7.3, and 4.1, respectively, for OAT1, OAT2, and OAT3, respectively) and the in vitro active clearances, renal secretory clearance and total renal clearance were predicted with average fold errors (AFEs) of 1.89 and 1.40, respectively. The results show that OAT3-mediated transport play a predominant role in renal secretion for 22 of the 31 drugs evaluated. This mechanistic static approach was further applied to quantitatively predict renal drug-drug interactions (AFE ∼1.6) of the substrate drugs with probenecid, a clinical probe OAT inhibitor. In conclusion, the proposed in vitro-in vivo extrapolation approach is the first comprehensive attempt toward mechanistic modeling of renal secretory clearance based on routinely employed in vitro cell models.

  13. A novel explicit approach to model bromide and pesticide transport in connected soil structures

    NASA Astrophysics Data System (ADS)

    Klaus, J.; Zehe, E.

    2011-07-01

    The present study tests whether an explicit treatment of worm burrows and tile drains as connected structures is feasible for simulating water flow, bromide and pesticide transport in structured heterogeneous soils at hillslope scale. The essence is to represent worm burrows as morphologically connected paths of low flow resistance in a hillslope model. A recent Monte Carlo study (Klaus and Zehe, 2010, Hydrological Processes, 24, p. 1595-1609) revealed that this approach allowed successful reproduction of tile drain event discharge recorded during an irrigation experiment at a tile drained field site. However, several "hillslope architectures" that were all consistent with the available extensive data base allowed a good reproduction of tile drain flow response. Our second objective was thus to find out whether this "equifinality" in spatial model setups may be reduced when including bromide tracer data in the model falsification process. We thus simulated transport of bromide for the 13 spatial model setups that performed best with respect to reproduce tile drain event discharge, without any further calibration. All model setups allowed a very good prediction of the temporal dynamics of cumulated bromide leaching into the tile drain, while only four of them matched the accumulated water balance and accumulated bromide loss into the tile drain. The number of behavioural model architectures could thus be reduced to four. One of those setups was used for simulating transport of Isoproturon, using different parameter combinations to characterise adsorption according to the Footprint data base. Simulations could, however, only reproduce the observed leaching behaviour, when we allowed for retardation coefficients that were very close to one.

  14. Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach.

    PubMed

    Vela, Sergi; Verot, Martin; Fromager, Emmanuel; Robert, Vincent

    2017-02-14

    The present paper reports the application of a computational framework, based on the quantum master equation, the Fermi's golden Rule, and conventional wavefunction-based methods, to describe electron transport through a spin crossover molecular junction (Fe(bapbpy) (NCS)2, 1, bapbpy = N-(6-(6-(Pyridin-2-ylamino)pyridin-2-yl)pyridin-2-yl)-pyridin-2-amine). This scheme is an alternative to the standard approaches based on the relative position and nature of the frontier orbitals, as it evaluates the junction's Green's function by means of accurate state energies and wavefunctions. In the present work, those elements are calculated for the relevant states of the high- and low-spin species of 1, and they are used to evaluate the output conductance within a given range of bias- and gate-voltages. The contribution of the ground and low-lying excited states to the current is analyzed, and inspected in terms of their 2S + 1 Ms-states. In doing so, it is shown the relevance of treating not only the ground state in its maximum-Ms projection, as usually done in most computational-chemistry packages, but the whole spectrum of low-energy states of the molecule. Such improved representation of the junction has a notable impact on the total conductivity and, more importantly, it restores the equivalence between alpha and beta transport, which means that no spin polarization is observed in the absence of Zeeman splitting. Finally, this work inspects the strong- and weak-points of the suggested theoretical framework to understand electron transport through molecular switchable materials, identifies a pathway for future improvement, and offers a new insight into concepts that play a key role in spintronics.

  15. Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach

    NASA Astrophysics Data System (ADS)

    Vela, Sergi; Verot, Martin; Fromager, Emmanuel; Robert, Vincent

    2017-02-01

    The present paper reports the application of a computational framework, based on the quantum master equation, the Fermi's golden Rule, and conventional wavefunction-based methods, to describe electron transport through a spin crossover molecular junction (Fe(bapbpy) (NCS)2, 1, bapbpy = N-(6-(6-(Pyridin-2-ylamino)pyridin-2-yl)pyridin-2-yl)-pyridin-2-amine). This scheme is an alternative to the standard approaches based on the relative position and nature of the frontier orbitals, as it evaluates the junction's Green's function by means of accurate state energies and wavefunctions. In the present work, those elements are calculated for the relevant states of the high- and low-spin species of 1, and they are used to evaluate the output conductance within a given range of bias- and gate-voltages. The contribution of the ground and low-lying excited states to the current is analyzed, and inspected in terms of their 2S + 1 Ms-states. In doing so, it is shown the relevance of treating not only the ground state in its maximum-Ms projection, as usually done in most computational-chemistry packages, but the whole spectrum of low-energy states of the molecule. Such improved representation of the junction has a notable impact on the total conductivity and, more importantly, it restores the equivalence between alpha and beta transport, which means that no spin polarization is observed in the absence of Zeeman splitting. Finally, this work inspects the strong- and weak-points of the suggested theoretical framework to understand electron transport through molecular switchable materials, identifies a pathway for future improvement, and offers a new insight into concepts that play a key role in spintronics.

  16. Detecting the local transport properties and the dimensionality of transport of epitaxial graphene by a multi-point probe approach

    NASA Astrophysics Data System (ADS)

    Barreto, Lucas; Perkins, Edward; Johannsen, Jens; Ulstrup, Søren; Fromm, Felix; Raidel, Christian; Seyller, Thomas; Hofmann, Philip

    2013-01-01

    The electronic transport properties of epitaxial monolayer graphene (MLG) and hydrogen-intercalated quasi free-standing bilayer graphene (QFBLG) on SiC(0001) are investigated by micro multi-point probes. Using a probe with 12 contacts, we perform four-point probe measurements with the possibility to effectively vary the contact spacing over more than one order of magnitude, allowing us to establish that the transport is purely two-dimensional. Combined with the carrier density obtained by angle-resolved photoemission spectroscopy, we find the room temperature mobility of MLG to be (870±120) cm2/V s. The transport in QFBLG is also found to be two-dimensional with a mobility of (1600±160) cm2/V s.

  17. A second order residual based predictor-corrector approach for time dependent pollutant transport

    NASA Astrophysics Data System (ADS)

    Pavan, S.; Hervouet, J.-M.; Ricchiuto, M.; Ata, R.

    2016-08-01

    We present a second order residual distribution scheme for scalar transport problems in shallow water flows. The scheme, suitable for the unsteady cases, is obtained adapting to the shallow water context the explicit Runge-Kutta schemes for scalar equations [1]. The resulting scheme is decoupled from the hydrodynamics yet the continuity equation has to be considered in order to respect some important numerical properties at discrete level. Beyond the classical characteristics of the residual formulation presented in [1,2], we introduce the possibility to iterate the corrector step in order to improve the accuracy of the scheme. Another novelty is that the scheme is based on a precise monotonicity condition which guarantees the respect of the maximum principle. We thus end up with a scheme which is mass conservative, second order accurate and monotone. These properties are checked in the numerical tests, where the proposed approach is also compared to some finite volume schemes on unstructured grids. The results obtained show the interest in adopting the predictor-corrector scheme for pollutant transport applications, where conservation of the mass, monotonicity and accuracy are the most relevant concerns.

  18. New Approaches to Overcome Transport Related Drug Resistance in Trypanosomatid Parasites

    PubMed Central

    Garcia-Salcedo, Jose A.; Unciti-Broceta, Juan D.; Valverde-Pozo, Javier; Soriano, Miguel

    2016-01-01

    Leishmania and Trypanosoma are members of the Trypanosomatidae family that cause severe human infections such as leishmaniasis, Chagas disease, and sleeping sickness affecting millions of people worldwide. Despite efforts to eradicate them, migrations are expanding these infections to developing countries. There are no vaccines available and current treatments depend only on chemotherapy. Drug resistance is a major obstacle for the treatment of these diseases given that existing drugs are old and limited, with some having severe side effects. Most resistance mechanisms developed by these parasites are related with a decreased uptake or increased efflux of the drug due to mutations or altered expression of membrane transporters. Different new approaches have been elaborated that can overcome these mechanisms of resistance including the use of inhibitors of efflux pumps and drug carriers for both active and passive targeting. Here we review new formulations that have been successfully applied to circumvent resistance related to drug transporters, opening alternative ways to solve drug resistance in protozoan parasitic diseases. PMID:27733833

  19. Thermal transport in porous Si nanowires from approach-to-equilibrium molecular dynamics calculations

    NASA Astrophysics Data System (ADS)

    Cartoixà, Xavier; Dettori, Riccardo; Melis, Claudio; Colombo, Luciano; Rurali, Riccardo

    2016-07-01

    We study thermal transport in porous Si nanowires (SiNWs) by means of approach-to-equilibrium molecular dynamics simulations. We show that the presence of pores greatly reduces the thermal conductivity, κ, of the SiNWs as long mean free path phonons are suppressed. We address explicitly the dependence of κ on different features of the pore topology—such as the porosity and the pore diameter—and on the nanowire (NW) geometry—diameter and length. We use the results of the molecular dynamics calculations to tune an effective model, which is capable of capturing the dependence of κ on porosity and NW diameter. The model illustrates the failure of Matthiessen's rule to describe the coupling between boundary and pore scattering, which we account for by the inclusion of an additional empirical term.

  20. Extension of the source-sink potential (SSP) approach to multichannel quantum transport.

    PubMed

    Rocheleau, Philippe; Ernzerhof, Matthias

    2012-11-07

    We present an extension of the single channel source-sink potential approach [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007)] for molecular electronic devices (MEDs) to multiple channels. The proposed multichannel source-sink potential method relies on an eigenchannel description of conducting states of the MED which are obtained by a self-consistent algorithm. We use the newly developed model to examine the transport of the 1-phenyl-1,3-butadiene molecule connected to two coupled rows of atoms that act as contacts on the left and right sides. With an eigenchannel description of the wave function in the contacts, we determined that one of the eigenchannels is effectively closed by the interference effects of the side chain. Furthermore, we provide an example where we observe a complete inversion (from bonding to antibonding and vice versa) of the transverse character of the wave function upon passage through the molecule.

  1. High-Payoff Space Transportation Design Approach with a Technology Integration Strategy

    NASA Technical Reports Server (NTRS)

    McCleskey, C. M.; Rhodes, R. E.; Chen, T.; Robinson, J.

    2011-01-01

    A general architectural design sequence is described to create a highly efficient, operable, and supportable design that achieves an affordable, repeatable, and sustainable transportation function. The paper covers the following aspects of this approach in more detail: (1) vehicle architectural concept considerations (including important strategies for greater reusability); (2) vehicle element propulsion system packaging considerations; (3) vehicle element functional definition; (4) external ground servicing and access considerations; and, (5) simplified guidance, navigation, flight control and avionics communications considerations. Additionally, a technology integration strategy is forwarded that includes: (a) ground and flight test prior to production commitments; (b) parallel stage propellant storage, such as concentric-nested tanks; (c) high thrust, LOX-rich, LOX-cooled first stage earth-to-orbit main engine; (d) non-toxic, day-of-launch-loaded propellants for upper stages and in-space propulsion; (e) electric propulsion and aero stage control.

  2. A generalized quantum chemical approach for elastic and inelastic electron transports in molecular electronics devices

    NASA Astrophysics Data System (ADS)

    Jiang, Jun; Kula, Mathias; Luo, Yi

    2006-01-01

    A generalized quantum chemical approach for electron transport in molecular devices is developed. It allows one to treat devices where the metal electrodes and the molecule are either chemically or physically bonded on equal footing. An extension to include the vibration motions of the molecule has also been implemented which has produced the inelastic electron-tunneling spectroscopy of molecular electronics devices with unprecedented accuracy. Important information about the structure of the molecule and of metal-molecule contacts that are not accessible in the experiment are revealed. The calculated current-voltage (I-V) characteristics of different molecular devices, including benzene-1,4-dithiolate, octanemonothiolate [H(CH2)8S], and octanedithiolate [S(CH2)8S] bonded to gold electrodes, are in very good agreement with experimental measurements.

  3. Nuclear fragmentation induced by low-energy antiprotons within a microscopic transport approach

    NASA Astrophysics Data System (ADS)

    Feng, Zhao-Qing

    2016-12-01

    Within the framework of the Lanzhou quantum molecular-dynamics transport model, the nuclear fragmentation induced by low-energy antiprotons has been investigated thoroughly. A coalescence approach is developed for constructing the primary fragments in phase space. The secondary decay process of the fragments is described by a well-known statistical code. It is found that the localized energy released in antibaryon-baryon annihilation is deposited in a nucleus mainly via pion-nucleon collisions, which leads to the emissions of pre-equilibrium particles, fission, evaporation of nucleons, light fragments, etc. The strangeness exchange reactions dominate the hyperon production. The averaged mass loss increases with the mass number of target nucleus. A bump structure in the domain of intermediate mass for heavy targets appears owing to the contribution of fission fragments.

  4. Extension of the source-sink potential (SSP) approach to multichannel quantum transport

    NASA Astrophysics Data System (ADS)

    Rocheleau, Philippe; Ernzerhof, Matthias

    2012-11-01

    We present an extension of the single channel source-sink potential approach [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007), 10.1063/1.2715932] for molecular electronic devices (MEDs) to multiple channels. The proposed multichannel source-sink potential method relies on an eigenchannel description of conducting states of the MED which are obtained by a self-consistent algorithm. We use the newly developed model to examine the transport of the 1-phenyl-1,3-butadiene molecule connected to two coupled rows of atoms that act as contacts on the left and right sides. With an eigenchannel description of the wave function in the contacts, we determined that one of the eigenchannels is effectively closed by the interference effects of the side chain. Furthermore, we provide an example where we observe a complete inversion (from bonding to antibonding and vice versa) of the transverse character of the wave function upon passage through the molecule.

  5. Identifying the Critical Links in Road Transportation Networks: Centrality-based approach utilizing structural properties

    SciTech Connect

    Chinthavali, Supriya

    2016-04-01

    Surface transportation road networks share structural properties similar to other complex networks (e.g., social networks, information networks, biological networks, and so on). This research investigates the structural properties of road networks for any possible correlation with the traffic characteristics such as link flows those determined independently. Additionally, we define a criticality index for the links of the road network that identifies the relative importance in the network. We tested our hypotheses with two sample road networks. Results show that, correlation exists between the link flows and centrality measures of a link of the road (dual graph approach is followed) and the criticality index is found to be effective for one test network to identify the vulnerable nodes.

  6. An on-chip electrical transport spectroscopy approach for in situ monitoring electrochemical interfaces

    NASA Astrophysics Data System (ADS)

    Ding, Mengning; He, Qiyuan; Wang, Gongming; Cheng, Hung-Chieh; Huang, Yu; Duan, Xiangfeng

    2015-08-01

    In situ monitoring electrochemical interfaces is crucial for fundamental understanding and continued optimization of electrocatalysts. Conventional spectroscopic techniques are generally difficult to implement for in situ electrochemical studies. Here we report an on-chip electrical transport spectroscopy approach for directly probing the electrochemical surfaces of metallic nanocatalysts in action. With a four-electrode device configuration, we demonstrate that the electrical properties of ultrafine platinum nanowires are highly sensitive and selective to the electrochemical surface states, enabling a nanoelectronic signalling pathway that reveals electrochemical interface information during in-device cyclic voltammetry. Our results not only show a high degree of consistency with generally accepted conclusions in platinum electrochemistry but also offer important insights on various practically important electrochemical reactions. This study defines a nanoelectronic strategy for in situ electrochemical surface studies with high surface sensitivity and surface specificity.

  7. Applicability of the control configured design approach to advanced earth orbital transportation systems

    NASA Technical Reports Server (NTRS)

    Hepler, A. K.; Zeck, H.; Walker, W. H.; Shafer, D. E.

    1978-01-01

    The applicability of the control configured design approach (CCV) to advanced earth orbital transportation systems was studied. The baseline system investigated was fully reusable vertical take-off/horizontal landing single-stage-to-orbit vehicle and had mission requirements similar to the space shuttle orbiter. Technical analyses were made to determine aerodynamic, flight control and subsystem design characteristics. Figures of merit were assessed on vehicle dry weight and orbital payload. The results indicated that the major parameters for CCV designs are hypersonic trim, aft center of gravity, and control surface heating. Optimized CCV designs can be controllable and provide substantial payload gains over conventional non-CCV design vertical take-off vehicles.

  8. An on-chip electrical transport spectroscopy approach for in situ monitoring electrochemical interfaces

    PubMed Central

    Ding, Mengning; He, Qiyuan; Wang, Gongming; Cheng, Hung-Chieh; Huang, Yu; Duan, Xiangfeng

    2015-01-01

    In situ monitoring electrochemical interfaces is crucial for fundamental understanding and continued optimization of electrocatalysts. Conventional spectroscopic techniques are generally difficult to implement for in situ electrochemical studies. Here we report an on-chip electrical transport spectroscopy approach for directly probing the electrochemical surfaces of metallic nanocatalysts in action. With a four-electrode device configuration, we demonstrate that the electrical properties of ultrafine platinum nanowires are highly sensitive and selective to the electrochemical surface states, enabling a nanoelectronic signalling pathway that reveals electrochemical interface information during in-device cyclic voltammetry. Our results not only show a high degree of consistency with generally accepted conclusions in platinum electrochemistry but also offer important insights on various practically important electrochemical reactions. This study defines a nanoelectronic strategy for in situ electrochemical surface studies with high surface sensitivity and surface specificity. PMID:26245937

  9. Non-Hermitian approach of edge states and quantum transport in a magnetic field

    NASA Astrophysics Data System (ADS)

    Ostahie, B.; Niţa, M.; Aldea, A.

    2016-11-01

    We develop a manifest non-Hermitian approach of spectral and transport properties of two-dimensional mesoscopic systems in a strong magnetic field. The finite system to which several terminals are attached constitutes an open system that can be described by an effective Hamiltonian. The lifetime of the quantum states expressed by the energy imaginary part depends specifically on the lead-system coupling and makes the difference among three regimes: resonant, integer quantum Hall effect, and superradiant. The discussion is carried on in terms of edge state lifetime in different gaps, channel formation, role of hybridization, and transmission coefficients quantization. A toy model helps in understanding non-Hermitian aspects in open systems.

  10. An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

    NASA Astrophysics Data System (ADS)

    Hendrickson, Heidi Phillips

    A fundamental understanding of charge separation in organic materials is necessary for the rational design of optoelectronic devices suited for renewable energy applications and requires a combination of theoretical, computational, and experimental methods. Density functional theory (DFT) and time-dependent (TD)DFT are cost effective ab-initio approaches for calculating fundamental properties of large molecular systems, however conventional DFT methods have been known to fail in accurately characterizing frontier orbital gaps and charge transfer states in molecular systems. In this dissertation, these shortcomings are addressed by implementing an optimally-tuned range-separated hybrid (OT-RSH) functional approach within DFT and TDDFT. The first part of this thesis presents the way in which RSH-DFT addresses the shortcomings in conventional DFT. Environmentally-corrected RSH-DFT frontier orbital energies are shown to correspond to thin film measurements for a set of organic semiconducting molecules. Likewise, the improved RSH-TDDFT description of charge transfer excitations is benchmarked using a model ethene dimer and silsesquioxane molecules. In the second part of this thesis, RSH-DFT is applied to chromophore-functionalized silsesquioxanes, which are currently investigated as candidates for building blocks in optoelectronic applications. RSH-DFT provides insight into the nature of absorptive and emissive states in silsesquioxanes. While absorption primarily involves transitions localized on one chromophore, charge transfer between chromophores and between chromophore and silsesquioxane cage have been identified. The RSH-DFT approach, including a protocol accounting for complex environmental effects on charge transfer energies, was tested and validated against experimental measurements. The third part of this thesis addresses quantum transport through nano-scale junctions. The ability to quantify a molecular junction via spectroscopic methods is crucial to their

  11. A musculo-mechanical model of esophageal transport based on an immersed boundary-finite element approach

    NASA Astrophysics Data System (ADS)

    Kou, Wenjun; Griffith, Boyce E.; Pandolfino, John E.; Kahrilas, Peter J.; Patankar, Neelesh A.

    2015-11-01

    This work extends a fiber-based immersed boundary (IB) model of esophageal transport by incorporating a continuum model of the deformable esophageal wall. The continuum-based esophagus model adopts finite element approach that is capable of describing more complex and realistic material properties and geometries. The leakage from mismatch between Lagrangian and Eulerian meshes resulting from large deformations of the esophageal wall is avoided by careful choice of interaction points. The esophagus model, which is described as a multi-layered, fiber-reinforced nonlinear elastic material, is coupled to bolus and muscle-activation models using the IB approach to form the esophageal transport model. Cases of esophageal transport with different esophagus models are studied. Results on the transport characteristics, including pressure field and esophageal wall kinematics and stress, are analyzed and compared. Support from NIH grant R01 DK56033 and R01 DK079902 is gratefully acknowledged. BEG is supported by NSF award ACI 1460334.

  12. A space–angle DGFEM approach for the Boltzmann radiation transport equation with local angular refinement

    SciTech Connect

    Kópházi, József Lathouwers, Danny

    2015-09-15

    In this paper a new method for the discretization of the radiation transport equation is presented, based on a discontinuous Galerkin method in space and angle that allows for local refinement in angle where any spatial element can support its own angular discretization. To cope with the discontinuous spatial nature of the solution, a generalized Riemann procedure is required to distinguish between incoming and outgoing contributions of the numerical fluxes. A new consistent framework is introduced that is based on the solution of a generalized eigenvalue problem. The resulting numerical fluxes for the various possible cases where neighboring elements have an equal, higher or lower level of refinement in angle are derived based on tensor algebra and the resulting expressions have a very clear physical interpretation. The choice of discontinuous trial functions not only has the advantage of easing local refinement, it also facilitates the use of efficient sweep-based solvers due to decoupling of unknowns on a large scale thereby approaching the efficiency of discrete ordinates methods with local angular resolution. The approach is illustrated by a series of numerical experiments. Results show high orders of convergence for the scalar flux on angular refinement. The generalized Riemann upwinding procedure leads to stable and consistent solutions. Further the sweep-based solver performs well when used as a preconditioner for a Krylov method.

  13. Analysis of ballistic transport in nanoscale devices by using an accelerated finite element contact block reduction approach

    SciTech Connect

    Li, H.; Li, G.

    2014-08-28

    An accelerated Finite Element Contact Block Reduction (FECBR) approach is presented for computational analysis of ballistic transport in nanoscale electronic devices with arbitrary geometry and unstructured mesh. Finite element formulation is developed for the theoretical CBR/Poisson model. The FECBR approach is accelerated through eigen-pair reduction, lead mode space projection, and component mode synthesis techniques. The accelerated FECBR is applied to perform quantum mechanical ballistic transport analysis of a DG-MOSFET with taper-shaped extensions and a DG-MOSFET with Si/SiO{sub 2} interface roughness. The computed electrical transport properties of the devices obtained from the accelerated FECBR approach and associated computational cost as a function of system degrees of freedom are compared with those obtained from the original CBR and direct inversion methods. The performance of the accelerated FECBR in both its accuracy and efficiency is demonstrated.

  14. Fine particulate matter source apportionment using a hybrid chemical transport and receptor model approach

    NASA Astrophysics Data System (ADS)

    Hu, Y.; Balachandran, S.; Pachon, J. E.; Baek, J.; Ivey, C.; Holmes, H.; Odman, M. T.; Mulholland, J. A.; Russell, A. G.

    2013-10-01

    A hybrid fine particulate matter (PM2.5) source apportionment approach based on a receptor-model (RM) species balance and species specific source impacts from a chemical transport model (CTM) equipped with a sensitivity analysis tool is developed to provide physically- and chemically-consistent relationships between source emissions and receptor impacts. This hybrid approach enhances RM results by providing initial estimates of source impacts from a much larger number of sources than are typically used in RMs, and provides source-receptor relationships for secondary species. Further, the method addresses issues of source collinearities, and accounts for emissions uncertainties. Hybrid method results also provide information on the resulting source impact uncertainties. We apply this hybrid approach to conduct PM2.5 source apportionment at Chemical Speciation Network (CSN) sites across the US. Ambient PM2.5 concentrations at these receptor sites were apportioned to 33 separate sources. Hybrid method results led to large changes of impacts from CTM estimates for sources such as dust, woodstove, and other biomass burning sources, but limited changes to others. The refinements reduced the differences between CTM-simulated and observed concentrations of individual PM2.5 species by over 98% when using a weighted least squared error minimization. The rankings of source impacts changed from the initial estimates, revealing that CTM-only results should be evaluated with observations. Assessment with RM results at six US locations showed that the hybrid results differ somewhat from commonly resolved sources. The hybrid method also resolved sources that typical RM methods do not capture without extra measurement information on unique tracers. The method can be readily applied to large domains and long (such as multi-annual) time periods to provide source impact estimates for management- and health-related studies.

  15. Fine particulate matter source apportionment using a hybrid chemical transport and receptor model approach

    NASA Astrophysics Data System (ADS)

    Hu, Y.; Balachandran, S.; Pachon, J. E.; Baek, J.; Ivey, C.; Holmes, H.; Odman, M. T.; Mulholland, J. A.; Russell, A. G.

    2014-06-01

    A hybrid fine particulate matter (PM2.5) source apportionment approach based on a receptor model (RM) species balance and species specific source impacts from a chemical transport model (CTM) equipped with a sensitivity analysis tool is developed to provide physically and chemically consistent relationships between source emissions and receptor impacts. This hybrid approach enhances RM results by providing initial estimates of source impacts from a much larger number of sources than are typically used in RMs, and provides source-receptor relationships for secondary species. Further, the method addresses issues of source collinearities and accounts for emissions uncertainties. We apply this hybrid approach to conduct PM2.5 source apportionment at Chemical Speciation Network (CSN) sites across the US. Ambient PM2.5 concentrations at these receptor sites were apportioned to 33 separate sources. Hybrid method results led to large changes of impacts from CTM estimates for sources such as dust, woodstoves, and other biomass-burning sources, but limited changes to others. The refinements reduced the differences between CTM-simulated and observed concentrations of individual PM2.5 species by over 98% when using a weighted least-squares error minimization. The rankings of source impacts changed from the initial estimates, further demonstrating that CTM-only results should be evaluated with observations. Assessment with RM results at six US locations showed that the hybrid results differ somewhat from commonly resolved sources. The hybrid method also resolved sources that typical RM methods do not capture without extra measurement information for unique tracers. The method can be readily applied to large domains and long (such as multi-annual) time periods to provide source impact estimates for management- and health-related studies.

  16. An approach to selecting routes over which to transport excess salt from the Deaf Smith County Site

    SciTech Connect

    Not Available

    1987-09-01

    This report presents an approach to be utilized in the identification of rail and/or highway routes for the disposal of waste salt and other salt contaminated material from repository construction. Relevant issues regarding salt transport also are identified. The report identifies a sequence of activities that precede actual route selection, i.e., final selection of a salt disposal method and its location, refined estimates of salt shipment volume and schedule, followed by selection of rail or truck or a combination thereof, as the preferred transport mode. After these factors are known, the route selection process can proceed. Chapter 2.0 of this report identifies directives and requirements that potentially could affect salt transport from the Deaf Smith site. A summary of salt disposal alternatives and reference cases is contained in Chapter 3.0. Chapter 4.0 identifies and discusses current methods of salt handling and transport in the United States, and also provides some perspective as to the volume of excess salt to be transported from the Deaf Smith site relative to current industry practices. Chapter 5.0 identifies an approach to the salt transportation issue, and suggests one system for evaluating alternative highway routes for truck shipments.

  17. A Many-Task Parallel Approach for Multiscale Simulations of Subsurface Flow and Reactive Transport

    SciTech Connect

    Scheibe, Timothy D.; Yang, Xiaofan; Schuchardt, Karen L.; Agarwal, Khushbu; Chase, Jared M.; Palmer, Bruce J.; Tartakovsky, Alexandre M.

    2014-12-16

    Continuum-scale models have long been used to study subsurface flow, transport, and reactions but lack the ability to resolve processes that are governed by pore-scale mixing. Recently, pore-scale models, which explicitly resolve individual pores and soil grains, have been developed to more accurately model pore-scale phenomena, particularly reaction processes that are controlled by local mixing. However, pore-scale models are prohibitively expensive for modeling application-scale domains. This motivates the use of a hybrid multiscale approach in which continuum- and pore-scale codes are coupled either hierarchically or concurrently within an overall simulation domain (time and space). This approach is naturally suited to an adaptive, loosely-coupled many-task methodology with three potential levels of concurrency. Each individual code (pore- and continuum-scale) can be implemented in parallel; multiple semi-independent instances of the pore-scale code are required at each time step providing a second level of concurrency; and Monte Carlo simulations of the overall system to represent uncertainty in material property distributions provide a third level of concurrency. We have developed a hybrid multiscale model of a mixing-controlled reaction in a porous medium wherein the reaction occurs only over a limited portion of the domain. Loose, minimally-invasive coupling of pre-existing parallel continuum- and pore-scale codes has been accomplished by an adaptive script-based workflow implemented in the Swift workflow system. We describe here the methods used to create the model system, adaptively control multiple coupled instances of pore- and continuum-scale simulations, and maximize the scalability of the overall system. We present results of numerical experiments conducted on NERSC supercomputing systems; our results demonstrate that loose many-task coupling provides a scalable solution for multiscale subsurface simulations with minimal overhead.

  18. A Novel Approach of Understanding and Incorporating Error of Chemical Transport Models into a Geostatistical Framework

    NASA Astrophysics Data System (ADS)

    Reyes, J.; Vizuete, W.; Serre, M. L.; Xu, Y.

    2015-12-01

    The EPA employs a vast monitoring network to measure ambient PM2.5 concentrations across the United States with one of its goals being to quantify exposure within the population. However, there are several areas of the country with sparse monitoring spatially and temporally. One means to fill in these monitoring gaps is to use PM2.5 modeled estimates from Chemical Transport Models (CTMs) specifically the Community Multi-scale Air Quality (CMAQ) model. CMAQ is able to provide complete spatial coverage but is subject to systematic and random error due to model uncertainty. Due to the deterministic nature of CMAQ, often these uncertainties are not quantified. Much effort is employed to quantify the efficacy of these models through different metrics of model performance. Currently evaluation is specific to only locations with observed data. Multiyear studies across the United States are challenging because the error and model performance of CMAQ are not uniform over such large space/time domains. Error changes regionally and temporally. Because of the complex mix of species that constitute PM2.5, CMAQ error is also a function of increasing PM2.5 concentration. To address this issue we introduce a model performance evaluation for PM2.5 CMAQ that is regionalized and non-linear. This model performance evaluation leads to error quantification for each CMAQ grid. Areas and time periods of error being better qualified. The regionalized error correction approach is non-linear and is therefore more flexible at characterizing model performance than approaches that rely on linearity assumptions and assume homoscedasticity of CMAQ predictions errors. Corrected CMAQ data are then incorporated into the modern geostatistical framework of Bayesian Maximum Entropy (BME). Through cross validation it is shown that incorporating error-corrected CMAQ data leads to more accurate estimates than just using observed data by themselves.

  19. Scaling approach to tight-binding transport in realistic graphene devices: The case of transverse magnetic focusing

    NASA Astrophysics Data System (ADS)

    Beconcini, M.; Valentini, S.; Kumar, R. Krishna; Auton, G. H.; Geim, A. K.; Ponomarenko, L. A.; Polini, M.; Taddei, F.

    2016-09-01

    Ultraclean graphene sheets encapsulated between hexagonal boron nitride crystals host two-dimensional electron systems in which low-temperature transport is solely limited by the sample size. We revisit the theoretical problem of carrying out microscopic calculations of nonlocal ballistic transport in such micron-scale devices. By employing the Landauer-Büttiker scattering theory, we propose a scaling approach to tight-binding nonlocal transport in realistic graphene devices. We test our numerical method against experimental data on transverse magnetic focusing (TMF), a textbook example of nonlocal ballistic transport in the presence of a transverse magnetic field. This comparison enables a clear physical interpretation of all the observed features of the TMF signal, including its oscillating sign.

  20. Emergency Situation Prediction Mechanism: A Novel Approach for Intelligent Transportation System Using Vehicular Ad Hoc Networks.

    PubMed

    Ganeshkumar, P; Gokulakrishnan, P

    2015-01-01

    In Indian four-lane express highway, millions of vehicles are travelling every day. Accidents are unfortunate and frequently occurring in these highways causing deaths, increase in death toll, and damage to infrastructure. A mechanism is required to avoid such road accidents at the maximum to reduce the death toll. An Emergency Situation Prediction Mechanism, a novel and proactive approach, is proposed in this paper for achieving the best of Intelligent Transportation System using Vehicular Ad Hoc Network. ESPM intends to predict the possibility of occurrence of an accident in an Indian four-lane express highway. In ESPM, the emergency situation prediction is done by the Road Side Unit based on (i) the Status Report sent by the vehicles in the range of RSU and (ii) the road traffic flow analysis done by the RSU. Once the emergency situation or accident is predicted in advance, an Emergency Warning Message is constructed and disseminated to all vehicles in the area of RSU to alert and prevent the vehicles from accidents. ESPM performs well in emergency situation prediction in advance to the occurrence of an accident. ESPM predicts the emergency situation within 0.20 seconds which is comparatively less than the statistical value. The prediction accuracy of ESPM against vehicle density is found better in different traffic scenarios.

  1. Network topology, Transport dynamics, and Vulnerability Analysis in River Deltas: A Graph-Theoretic Approach

    NASA Astrophysics Data System (ADS)

    Tejedor, A.; Foufoula-Georgiou, E.; Longjas, A.; Zaliapin, I. V.

    2014-12-01

    River deltas are intricate landscapes with complex channel networks that self-organize to deliver water, sediment, and nutrients from the apex to the delta top and eventually to the coastal zone. The natural balance of material and energy fluxes which maintains a stable hydrologic, geomorphologic, and ecological state of a river delta, is often disrupted by external factors causing topological and dynamical changes in the delta structure and function. A formal quantitative framework for studying river delta topology and transport dynamics and their response to change is lacking. Here we present such a framework based on spectral graph theory and demonstrate its value in quantifying the complexity of the delta network topology, computing its steady state fluxes, and identifying upstream (contributing) and downstream (nourishment) areas from any point in the network. We use this framework to construct vulnerability maps that quantify the relative change of sediment and water delivery to the shoreline outlets in response to possible perturbations in hundreds of upstream links. This enables us to evaluate which links (hotspots) and what management scenarios would most influence flux delivery to the outlets, paving the way of systematically examining how local or spatially distributed delta interventions can be studied within a systems approach for delta sustainability.

  2. Emergency Situation Prediction Mechanism: A Novel Approach for Intelligent Transportation System Using Vehicular Ad Hoc Networks

    PubMed Central

    Gokulakrishnan, P.

    2015-01-01

    In Indian four-lane express highway, millions of vehicles are travelling every day. Accidents are unfortunate and frequently occurring in these highways causing deaths, increase in death toll, and damage to infrastructure. A mechanism is required to avoid such road accidents at the maximum to reduce the death toll. An Emergency Situation Prediction Mechanism, a novel and proactive approach, is proposed in this paper for achieving the best of Intelligent Transportation System using Vehicular Ad Hoc Network. ESPM intends to predict the possibility of occurrence of an accident in an Indian four-lane express highway. In ESPM, the emergency situation prediction is done by the Road Side Unit based on (i) the Status Report sent by the vehicles in the range of RSU and (ii) the road traffic flow analysis done by the RSU. Once the emergency situation or accident is predicted in advance, an Emergency Warning Message is constructed and disseminated to all vehicles in the area of RSU to alert and prevent the vehicles from accidents. ESPM performs well in emergency situation prediction in advance to the occurrence of an accident. ESPM predicts the emergency situation within 0.20 seconds which is comparatively less than the statistical value. The prediction accuracy of ESPM against vehicle density is found better in different traffic scenarios. PMID:26065014

  3. Promising approaches to crystallization of macromolecules suppressing the convective mass transport to the growing crystal

    NASA Astrophysics Data System (ADS)

    Boyko, K. M.; Popov, V. O.; Kovalchuk, M. V.

    2015-08-01

    Conditions of mass transport to growing crystals are important factors that have an impact on the size and quality of macromolecular crystals. The mass transport occurs via two mechanisms — by diffusion and convection. The crystal quality can be influenced by changing (either suppressing or enhancing) the convective mass transport. The review gives an overview and analysis of the published data on different methods of macromolecular crystallization providing the suppression of convective mass transport to growing crystals in order to improve the crystal quality. The bibliography includes 91 references.

  4. A two-tiered approach to reactive transport: Application to Sr mobility under variable pH

    SciTech Connect

    Toran, L.; Bryant, S.; Wheeler, M.F.; Saunders, J.

    1998-05-01

    One benefit of a coupled geochemistry/transport approach is that interactions between chemical constituents that can change the mobility of species (such as pH) can be treated explicitly, rather than lumping all of the geochemistry into a single term (i.e., the retardation factor). A two-tiered approach to modeling coupled geochemistry/transport is presented here, which allows a comparison of the results of different methods as well as better efficiency in modeling time. The codes ParSSim, a coupled transport code for supercomputers, and PHREEQC, an advective geochemistry code, were used to model Sr mobility under varying pH. The problem was based on liquid low level radioactive waste that was disposed at Oak Ridge National Laboratory (Oak Ridge, Tennessee) in a highly alkaline solution to try to enhance precipitation and sorption. Interactions with carbonate rock and ground water lowered the pH and led to mobilization of radionuclides such as {sup 90}Sr. Simulation of contaminant migration in this mixing environment requires a coupled geochemistry and transport model. The interplay between propagation of a pH front (which was retarded) and propagation of the Sr front leads to a fast-moving pulse of Sr as well as a strongly retarded front of Sr. This behavior could not have been predicted by a geochemistry or a transport code alone.

  5. Woody debris transport modelling by a coupled DE-SW approach

    NASA Astrophysics Data System (ADS)

    Persi, Elisabetta; Petaccia, Gabriella; Sibilla, Stefano

    2016-04-01

    The presence of wood in rivers is gaining more and more attention: on one side, the inclusion of woody debris in streams is emphasized for its ecological benefits; on the other hand, particular attention must be paid to its management, not to affect hydraulic safety. Recent events have shown that wood can be mobilized during floodings (Comiti et al. 2008, Lange and Bezzola 2006), aggravating inundations, in particular near urban areas. For this reason, the inclusion of woody debris influence on the prediction of flooded areas is an important step toward the reduction of hydraulic risk. Numerical modelling plays an important role to this purpose. Ruiz-Villanueva et al. (2014) use a two-dimensional numerical model to calculate the kinetics of cylindrical woody debris transport, taking into account also the hydrodynamic effects of wood. The model here presented couples a Discrete Element approach (DE) for the calculation of motion of a cylindrical log with the solution of the Shallow Water Equations (SW), in order to simulate woody debris transport in a two-dimensional stream. In a first step, drag force, added mass force and side force are calculated from flow and log velocities, assuming a reference area and hydrodynamic coefficients taken from literature. Then, the equations of dynamics are solved to model the planar roto-translation of the wooden cylinder. Model results and its physical reliability are clearly affected by the values of the drag and side coefficients, which in turn depend upon log submergence and angle towards the flow direction. Experimental studies to evaluate drag and side coefficients can be found for a submerged cylinder, with various orientations (Gippel et al. 1996; Hoang et al. 2015). To extend such results to the case of a floating (non-totally submerged) cylinder, the authors performed a series of laboratory tests whose outcomes are implemented in the proposed DE-SW model, to assess the effects of these values on the dynamic of woody

  6. The Italian Spacegate: Study and innovative approaches to future generation transportation based on High Altitude Flight

    NASA Astrophysics Data System (ADS)

    Santoro, Francesco; Bellomo, Alessandro; Bolle, Andrea; Vittori, Roberto

    2014-08-01

    This paper summarizes the results of the pre-feasibility studies carried out in 2012 on the concept of sub orbital and hypersonic, high altitude flight in support of future generation transportation. Currently, while the High Altitude Flight is mostly instrumental to touristic purposes and emphasizes the so called Spaceports as futuristic, customers-luring airports featured with all the support services, the “Spacegate” concept deals with scheduled traveling in the upper part of the atmosphere between two points over the Earth surface, with significant reduction of the transfer time. The first part of the paper provides a theoretical approach to the matter, by proposing an “operational” mapping of the atmosphere as well as of the different kinds of flight occurring at High Altitude. The second part of the paper addresses the problem of the limited human capability of maintaining an active control of the vehicle during the re-entry phase and introduces the “Spacegate” concept as the conical portion of the atmosphere above the landing site, whose surface delimits the spiral-descending trajectories that the pilot can travel for a safe re-entry. This paper further outlines the results of the preliminary definition of top level operational requirements and derived architecture functional modules in support to the “Spacegate” implementation. Special attention was given to the favorable geographic and climatic conditions of Italy that make this Country suitable enough for future experimental sub orbital flights and related operations. An initial analysis was performed on the regulatory backbone that has to be built to properly operate High Altitude Flight vehicles in Italy according to the concept of an Italian “Spacegate”. A Preliminary Master Plan/Road Map for the “Spacegate” has been laid out, with special emphasis to selected near term activities and support infrastructures necessary to be carried out to better refine the study in preparation

  7. Turbidity Current Transport using DEM and FEM: a Hybrid Lagrangian-Eulerian Approach

    NASA Astrophysics Data System (ADS)

    Alves, J. L.; Guevara, N. O., Jr.; Silva, C. E.; Alves, F. T.; Gazoni, L. C.; Coutinho, A.; Camata, J.; Elias, R. N.; Paraizo, P.

    2013-05-01

    In this work we describe a contribution to the study of turbidity transport in scales smaller than TFM (two-fluid models), The intent of the work, part of a large scale simulation project, is to assess local, small scale parameters and their upscaling. The hybrid model is based on a Lagrangian-Eulerian approach under a class of the so called Unresolved Discrete Particle Method (UDPM). In this approach, a Lagrangian description is used for the particle system employing the Discrete Element Method (DEM) while a fixed Eulerian mesh is used for the fluid phase modeled by finite element method (FEM), Fluid motion is governed by Navier-Stokes equations which are solved by an appropriate FEM implementation. Closure equation are used to compute drag and lift forces over the particles in the DEM framework. Volume averaged momentum sink terms are included in the fluid equations. The resulting coupled DEM-FEM model is integrated in time with a subcycling scheme. The aforementioned scheme was applied in the simulation of a sedimentation basin as depicted in figures 1 and 2 to investigate flow and deposition features of the suspension in a finer scale. For this purpose a submodel of the basin was generated. Mapping variables back and forth the Eulerian (finite element) model and the Lagrangian (discrete element) model were performed during the subcycled integration of the hybrid model. References: [1] Hoomans, B.P.B., Kuipers, J.A.M., Swaaij, van W.P.M," Granular dynamics Simulation of segregation phenomena in bubbling gas-fluidised beds", Powder Technology, V 109, Issues 1-3, 3 April 2000, pp 41-48; [2] Cho, S.H., Choi,H.G, Yoo, J.Y.,"Direct numerical simulation of fluid flow laden with many particles", International Journal of Multiphase Flow, V 31, Issue 4, April 2005, pp 435-451;; Sedimentation basin: sectioning the turbidity plume in the Eulerian FE model for setting up the discrete particle model. ; Sedimentation Basin: section of the turbidity plume displaying the

  8. A new geometrical approach to Eulerian transport: an application to the ocean circulation; final report

    NASA Technical Reports Server (NTRS)

    McWilliams, J. C.; Chao, Y.

    2003-01-01

    The main objective of this work is to investigate the transport processes in the large-scale ocean circulations using the new transport theory. We focus on the mid-latitude ocean circulation, especially the Gulf Stream, because it is recognized as a most energetic ocean current and plays a crucial role in maintaining the earth's climate system.

  9. Three-dimensional numerical approach to investigate the substrate transport and conversion in an immobilized enzyme reactor.

    PubMed

    Esterl, Stefan; Ozmutlu, Ozlem; Hartmann, Christoph; Delgado, Antonio

    2003-09-30

    This numerical study evaluates the momentum and mass transfer in an immobilized enzyme reactor. The simulation is based on the solution of the three-dimensional Navier-Stokes equation and a scalar transport equation with a sink term for the transport and the conversion of substrate to product. The reactor consists of a container filled with 20 spherical enzyme carriers. Each of these carriers is covered with an active enzyme layer where the conversion takes place. To account for the biochemical activity, the sink term in the scalar transport equation is represented by a standard Michaelis-Menten approach. The simulation gives detailed information of the local substrate and product concentrations with respect to external and internal transport limitations. A major focus is set on the influence of the substrate transport velocity on the catalytic process. For reactor performance analysis the overall and the local transport processes are described by a complete set of dimensionless variables. The interaction between substrate concentration, velocity, and efficiency of the process can be studied with the help of these variables. The effect of different substrate inflow concentrations on the process can be seen in relation to velocity variations. The flow field characterization of the system makes it possible to understand fluid mechanical properties and its importance to transport processes. The distribution of fluid motion through the void volume has different properties in different parts of the reactor. This phenomenon has strong effects on the arrangement of significantly different mass transport areas as well as on process effectiveness. With the given data it is also possible to detect zones of high, low, and latent enzymatic activity and to determine whether the conversion is limited due to mass transfer or reaction resistances.

  10. A versatile pore-scale multicomponent reactive transport approach based on lattice Boltzmann method: Application to portlandite dissolution

    NASA Astrophysics Data System (ADS)

    Patel, Ravi A.; Perko, Janez; Jacques, Diederik; De Schutter, Geert; Van Breugel, Klaas; Ye, Guang

    A versatile lattice Boltzmann (LB) based pore-scale multicomponent reactive transport approach is presented in this paper. This approach is intended to capture mineral phase and pore structure evolution resulting from geochemical interactions applicable, for example to model microstructural evolution of hardened cement paste during chemical degradation. In the proposed approach heterogeneous reactions are conceptualized as pseudo-homogenous (volumetric) reactions by introducing an additional source term in the fluid node located at the interface adjacent to a solid node, and not as flux boundaries as used in previously proposed approaches. This allows a complete decoupling of transport and reaction computations, thus different reaction systems can be introduced within the LB framework through coupling with external geochemical codes. A systematic framework for coupling an external geochemical code with the LB including pore geometry evolution is presented, with the generic geochemical code PHREEQC as an example. The developed approach is validated with a set of benchmarks. A first example demonstrates the ability of the developed approach to capture the influence of pH on average portlandite dissolution rate and surface evolution. This example is further extended to illustrate the influence of reactive surface area and spatial arrangement of mineral grains on average dissolution rate. It was demonstrated that both location of mineral grains and surface area play a crucial role in determining average dissolution rate and pore structure evolution.

  11. Flight-test measurement of the noise reduction of a jet transport delayed flap approach procedure

    NASA Technical Reports Server (NTRS)

    Foster, J. D.; Lasagna, P. L.

    1976-01-01

    A delayed flap approach procedure was flight tested using the NASA CV-990 airplane to measure and analyze the noise produced beneath the flight path. Three other types of landing approaches were also flight tested to provide a comparison of the noise reduction benefits to the delayed flap approach. The conventional type of approach was used as a baseline to compare the effectiveness of the other approaches. The decelerating approach is a variation of the delayed flap approach. A detailed comparison of the ground perceived noise generated during the approaches is presented. For this comparison, the measured noise data were normalized to compensate for variations in aircraft weight and winds that occurred during the flight tests. The data show that the reduced flap approach offers some noise reduction, while the delayed flap and decelerating approaches offer significant noise reductions over the conventional approach.

  12. Microbial and Organic Fine Particle Transport Dynamics in Streams - a Combined Experimental and Stochastic Modeling Approach

    NASA Astrophysics Data System (ADS)

    Drummond, Jen; Davies-Colley, Rob; Stott, Rebecca; Sukias, James; Nagels, John; Sharp, Alice; Packman, Aaron

    2014-05-01

    Transport dynamics of microbial cells and organic fine particles are important to stream ecology and biogeochemistry. Cells and particles continuously deposit and resuspend during downstream transport owing to a variety of processes including gravitational settling, interactions with in-stream structures or biofilms at the sediment-water interface, and hyporheic exchange and filtration within underlying sediments. Deposited cells and particles are also resuspended following increases in streamflow. Fine particle retention influences biogeochemical processing of substrates and nutrients (C, N, P), while remobilization of pathogenic microbes during flood events presents a hazard to downstream uses such as water supplies and recreation. We are conducting studies to gain insights into the dynamics of fine particles and microbes in streams, with a campaign of experiments and modeling. The results improve understanding of fine sediment transport, carbon cycling, nutrient spiraling, and microbial hazards in streams. We developed a stochastic model to describe the transport and retention of fine particles and microbes in rivers that accounts for hyporheic exchange and transport through porewaters, reversible filtration within the streambed, and microbial inactivation in the water column and subsurface. This model framework is an advance over previous work in that it incorporates detailed transport and retention processes that are amenable to measurement. Solute, particle, and microbial transport were observed both locally within sediment and at the whole-stream scale. A multi-tracer whole-stream injection experiment compared the transport and retention of a conservative solute, fluorescent fine particles, and the fecal indicator bacterium Escherichia coli. Retention occurred within both the underlying sediment bed and stands of submerged macrophytes. The results demonstrate that the combination of local measurements, whole-stream tracer experiments, and advanced modeling

  13. A streamline splitting pore-network approach for computationally inexpensive and accurate simulation of transport in porous media

    SciTech Connect

    Mehmani, Yashar; Oostrom, Martinus; Balhoff, Matthew

    2014-03-20

    Several approaches have been developed in the literature for solving flow and transport at the pore-scale. Some authors use a direct modeling approach where the fundamental flow and transport equations are solved on the actual pore-space geometry. Such direct modeling, while very accurate, comes at a great computational cost. Network models are computationally more efficient because the pore-space morphology is approximated. Typically, a mixed cell method (MCM) is employed for solving the flow and transport system which assumes pore-level perfect mixing. This assumption is invalid at moderate to high Peclet regimes. In this work, a novel Eulerian perspective on modeling flow and transport at the pore-scale is developed. The new streamline splitting method (SSM) allows for circumventing the pore-level perfect mixing assumption, while maintaining the computational efficiency of pore-network models. SSM was verified with direct simulations and excellent matches were obtained against micromodel experiments across a wide range of pore-structure and fluid-flow parameters. The increase in the computational cost from MCM to SSM is shown to be minimal, while the accuracy of SSM is much higher than that of MCM and comparable to direct modeling approaches. Therefore, SSM can be regarded as an appropriate balance between incorporating detailed physics and controlling computational cost. The truly predictive capability of the model allows for the study of pore-level interactions of fluid flow and transport in different porous materials. In this paper, we apply SSM and MCM to study the effects of pore-level mixing on transverse dispersion in 3D disordered granular media.

  14. A variational approach for dissipative quantum transport in a wide parameter space.

    PubMed

    Zhang, Yu; Yam, ChiYung; Chen, GuanHua

    2015-09-14

    Recent development of theoretical method for dissipative quantum transport has achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport in a wide parameter space had not been established. In this work, a variational polaron theory for dissipative quantum transport in a wide range of electron-phonon coupling is developed. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting in an accurate and efficient method for the treatment of dissipative quantum transport with different electron-phonon coupling strength. Numerical benchmark calculation on a single site model coupled to one phonon mode is presented.

  15. SELECTION AND CALIBRATION OF SUBSURFACE REACTIVE TRANSPORT MODELS USING A SURROGATE-MODEL APPROACH

    EPA Science Inventory

    While standard techniques for uncertainty analysis have been successfully applied to groundwater flow models, extension to reactive transport is frustrated by numerous difficulties, including excessive computational burden and parameter non-uniqueness. This research introduces a...

  16. A variational approach for dissipative quantum transport in a wide parameter space

    SciTech Connect

    Zhang, Yu Kwok, YanHo; Chen, GuanHua; Yam, ChiYung

    2015-09-14

    Recent development of theoretical method for dissipative quantum transport has achieved notable progresses in the weak or strong electron-phonon coupling regime. However, a generalized theory for dissipative quantum transport in a wide parameter space had not been established. In this work, a variational polaron theory for dissipative quantum transport in a wide range of electron-phonon coupling is developed. The optimal polaron transformation is determined by the optimization of the Feynman-Bogoliubov upper bound of free energy. The free energy minimization ends up with an optimal mean-field Hamiltonian and a minimal interaction Hamiltonian. Hence, second-order perturbation can be applied to the transformed system, resulting in an accurate and efficient method for the treatment of dissipative quantum transport with different electron-phonon coupling strength. Numerical benchmark calculation on a single site model coupled to one phonon mode is presented.

  17. Chemometrics approach for the prediction of structure-activity relationship for membrane transporter bilitranslocase.

    PubMed

    Martinčič, R; Venko, K; Župerl, Š; Novič, M

    2014-01-01

    Membrane transport proteins are essential for cellular uptake of numerous salts, nutrients and drugs. Bilitranslocase is a transporter, specific for water-soluble organic anions, and is the only known carrier of nucleotides and nucleotide-like compounds. Experimental data of bilitranslocase ligand specificity for 120 compounds were used to construct classification models using counter-propagation artificial neural networks (CP-ANNs) and support vector machines (SVMs). A subset of active compounds with experimentally determined transport rates was used to build predictive QSAR models for estimation of transport rates of unknown compounds. Several modelling methods and techniques were applied, i.e. CP-ANN, genetic algorithm, self-organizing mapping and multiple linear regression method. The best predictions were achieved using CP-ANN coupled with a genetic algorithm, with the external validation parameter QV(2) of 0.96. The applicability domains of the models were defined to determine the chemical space in which reliable predictions can be obtained. The models were applied for the estimation of bilitranslocase transport activity for two sets of pharmaceutically interesting compounds, antioxidants and antiprions. We found that the relative planarity and a high potential for hydrogen bond formation are the common structural features of anticipated substrates of bilitranslocase. These features may serve as guidelines in the design of new pharmaceuticals transported by bilitranslocase.

  18. Transport equation approach to calculations of Hadamard Green functions and non-coincident DeWitt coefficients

    NASA Astrophysics Data System (ADS)

    Ottewill, Adrian C.; Wardell, Barry

    2011-11-01

    Building on an insight due to Avramidi, we provide a system of transport equations for determining key fundamental bitensors, including derivatives of the world function, σ(x,x'), the square root of the Van Vleck determinant, Δ1/2(x,x'), and the tail term, V(x,x'), appearing in the Hadamard form of the Green function. These bitensors are central to a broad range of problems from radiation reaction to quantum field theory in curved spacetime and quantum gravity. Their transport equations may be used either in a semi-recursive approach to determining their covariant Taylor series expansions, or as the basis of numerical calculations. To illustrate the power of the semi-recursive approach, we present an implementation in Mathematica, which computes very high order covariant series expansions of these objects. Using this code, a moderate laptop can, for example, calculate the coincidence limit [a7(x,x)] and V(x,x') to order (σa)20 in a matter of minutes. Results may be output in either a compact notation or in xTensor form. In a second application of the approach, we present a scheme for numerically integrating the transport equations as a system of coupled ordinary differential equations. As an example application of the scheme, we integrate along null geodesics to solve for V(x,x') in Nariai and Schwarzschild spacetimes.

  19. Reactive Transport Modeling of Induced Calcite Precipitation Reaction Fronts in Porous Media Using A Parallel, Fully Coupled, Fully Implicit Approach

    NASA Astrophysics Data System (ADS)

    Guo, L.; Huang, H.; Gaston, D.; Redden, G. D.; Fox, D. T.; Fujita, Y.

    2010-12-01

    Inducing mineral precipitation in the subsurface is one potential strategy for immobilizing trace metal and radionuclide contaminants. Generating mineral precipitates in situ can be achieved by manipulating chemical conditions, typically through injection or in situ generation of reactants. How these reactants transport, mix and react within the medium controls the spatial distribution and composition of the resulting mineral phases. Multiple processes, including fluid flow, dispersive/diffusive transport of reactants, biogeochemical reactions and changes in porosity-permeability, are tightly coupled over a number of scales. Numerical modeling can be used to investigate the nonlinear coupling effects of these processes which are quite challenging to explore experimentally. Many subsurface reactive transport simulators employ a de-coupled or operator-splitting approach where transport equations and batch chemistry reactions are solved sequentially. However, such an approach has limited applicability for biogeochemical systems with fast kinetics and strong coupling between chemical reactions and medium properties. A massively parallel, fully coupled, fully implicit Reactive Transport simulator (referred to as “RAT”) based on a parallel multi-physics object-oriented simulation framework (MOOSE) has been developed at the Idaho National Laboratory. Within this simulator, systems of transport and reaction equations can be solved simultaneously in a fully coupled, fully implicit manner using the Jacobian Free Newton-Krylov (JFNK) method with additional advanced computing capabilities such as (1) physics-based preconditioning for solution convergence acceleration, (2) massively parallel computing and scalability, and (3) adaptive mesh refinements for 2D and 3D structured and unstructured mesh. The simulator was first tested against analytical solutions, then applied to simulating induced calcium carbonate mineral precipitation in 1D columns and 2D flow cells as analogs

  20. A Combined Observational and Modeling Approach to Study Modern Dust Transport from the Patagonia Desert to East Antarctica

    NASA Technical Reports Server (NTRS)

    Gasso, S.; Stein, A.; Marino, F.; Castellano, E.; Udisti, R.; Ceratto, J.

    2010-01-01

    The understanding of present atmospheric transport processes from Southern Hemisphere (SH) landmasses to Antarctica can improve the interpretation of stratigraphic data in Antarctic ice cores. In addition, long range transport can deliver key nutrients normally not available to marine ecosystems in the Southern Ocean and may trigger or enhance primary productivity. However, there is a dearth of observational based studies of dust transport in the SH. This work aims to improve current understanding of dust transport in the SH by showing a characterization of two dust events originating in the Patagonia desert (south end of South America). The approach is based on a combined and complementary use of satellite retrievals (detectors MISR, MODIS, GLAS ,POLDER, OMI,), transport model simulation (HYSPLIT) and surface observations near the sources and aerosol measurements in Antarctica (Neumayer and Concordia sites). Satellite imagery and visibility observations confirm dust emission in a stretch of dry lakes along the coast of the Tierra del Fuego (TdF) island (approx.54deg S) and from the shores of the Colihue Huapi lake in Central Patagonia (approx.46deg S) in February 2005. Model simulations initialized by these observations reproduce the timing of an observed increase in dust concentration at the Concordia Station and some of the observed increases in atmospheric aerosol absorption (here used as a dust proxy) in the Neumayer station. The TdF sources were the largest contributors of dust at both sites. The transit times from TdF to the Neumayer and Concordia sites are 6-7 and 9-10 days respectively. Lidar observations and model outputs coincide in placing most of the dust cloud in the boundary layer and suggest significant de- position over the ocean immediately downwind. Boundary layer dust was detected as far as 1800 km from the source and approx.800 km north of the South Georgia Island over the central sub-Antarctic Atlantic Ocean. Although the analysis suggests the

  1. Reactive Transport Modeling: An Essential Tool and a New ResearchApproach for the Earth Sciences

    SciTech Connect

    Steefel, Carl I.; DePaolo, Donald J.; Lichtner, Peter C.

    2005-08-25

    Reactive transport modeling is an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth systems, and has additional potential to better integrate the results from focused fundamental research on Earth materials. Appropriately designed models can describe the interactions of competing processes at a range of spatial and time scales, and hence are critical for connecting the advancing capabilities for materials characterization at the atomic scale with the macroscopic behavior of complex Earth systems. Reactive transport modeling has had a significant impact on the treatment of contaminant retardation in the subsurface, the description of elemental and nutrient fluxes between major Earth reservoirs, and in the treatment of deep Earth processes such as metamorphism and magma transport. Active topics of research include the development of pore scale and hybrid, or multiple continua, models to capture the scale dependence of coupled reactive transport processes. Frontier research questions, that are only now being addressed, include the effects of chemical microenvironments, coupled thermal mechanical chemical processes, controls on mineral fluid reaction rates in natural media, and scaling of reactive transport processes from the microscopic to pore to field scale.

  2. Proposing An Effective Route For Transporting Solid Waste Using Gis Approach

    NASA Astrophysics Data System (ADS)

    Zainun, Noor Yasmin; Samsu, Ku Nor Syazana Ku; Rohani, Munzilah Md

    2016-11-01

    Transportation is one of the important elements in solid waste management. Effective transportation by selecting the shortest route can save time and cost in handling the waste. Thus, this paper presents a case study on deciding shortest waste transportation route from residential area to sanitary landfill in Kluang district handled by Solid Waste and Public Cleansing Management Corporation (SWCorp). The shortest transportation distance was determined using ArcGIS software on the basis of coordinate tracking, data collection for network analysis and fuel consumption estimation. The case study focuses on municipal solid waste collection routes from residential area in Kluang district to Ladang CEP 1 sanitary landfill and Seelong sanitary landfill. The study found that SWCorp could save up to 18% and 7.3% of fuel consumption per day by following the effective routes for transporting solid waste to Ladang CEP 1 sanitary landfill and to Seelong Sanitary landfill respectively. The findings could assist SWCorp saving management cost and also keep environment cleaner.

  3. Computational approaches for the study of serotonin and its membrane transporter SERT: implications for drug design in neurological sciences.

    PubMed

    Pratuangdejkul, J; Schneider, B; Launay, J-M; Kellermann, O; Manivet, P

    2008-01-01

    Serotonin (5-hydroxytryptamine, 5-HT), a monoamine neurotransmitter of the central nervous and peripheral systems (CNS), plays a critical role in a wide variety of physiological and behavioral processes. In the serotonergic system, deregulation of the tightly controlled extracellular concentration of 5-HT appears to be at the origin of a host of metabolic and psychiatric disorders. A key step that regulates 5-HT external level is the re-uptake of 5-HT into cells by the 5-HT transporter (SERT), which is besides the target of numerous drugs interacting with the serotonergic system. Therapeutic strategies have mainly focused on the development of compounds that block the activity of SERT, for instance reuptake inhibitors (e.g. tricyclics, "selective" serotonin reuptake inhibitors) and in the past, specific substrate-type releasers (e.g. amphetamine and cocaine derivatives). Today, generation of new drugs targetting SERT with enhanced selectivity and reduced toxicity is one of the most challenging tasks in drug design. In this context, studies aiming at characterizing the physicochemical properties of 5-HT as well as the biological active conformation of SERT are a prerequisite to the design of new leads. However, the absence of a high-resolution 3D-structure for SERT has hampered the design of new transporter inhibitors. Using computational approaches, numerous efforts were made to shed light on the structure of 5-HT and its transporter. In this review, we compared several in silico methods dedicated to the modeling of 5-HT and SERT with an emphasis on i) quantum chemistry for study of 5-HT conformation and ii) ligand-based (QSAR and pharmacophore models) and transporter-based (homology models) approaches for studying SERT molecule. In addition, we discuss some methodological aspects of the computational work in connection with the construction of putative but reliable 3D structural models of SERT that may help to predict the mechanisms of neurotransmitter transport.

  4. Particle tracking approach for transport in three-dimensional discrete fracture networks: Particle tracking in 3-D DFNs

    SciTech Connect

    Makedonska, Nataliia; Painter, Scott L.; Bui, Quan M.; Gable, Carl W.; Karra, Satish

    2015-09-16

    The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates mass balance-related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces, and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. As a result, we demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.

  5. Particle tracking approach for transport in three-dimensional discrete fracture networks: Particle tracking in 3-D DFNs

    DOE PAGES

    Makedonska, Nataliia; Painter, Scott L.; Bui, Quan M.; ...

    2015-09-16

    The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates massmore » balance-related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces, and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. As a result, we demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.« less

  6. Geochemical & Physical Aquifer Property Heterogeneity: A Multiscale Sedimentologic Approach to Reactive Solute Transport

    SciTech Connect

    Murray, Chris; Allen-King, Richelle; Weissmann, Gary

    2006-06-01

    This project is testing the hypothesis that sedimentary lithofacies determine the geochemical and physical hydrologic properties that control reactive solute transport (Figure 1). We are testing that hypothesis for one site, a portion of the saturated zone at the Hanford Site (Ringold Formation), and for a model solute, carbon tetrachloride (CT). The representative geochemical and physical aquifer properties selected for quantification in the proposed project are the properties that control CT transport: hydraulic conductivity (K) and reactivity (sorption distribution coefficient, Kd, and anaerobic transformation rate constant, kn). We are combining observations at outcrop analog sites (to measure lithofacies dimensions and statistical relations) with measurements from archived and fresh core samples (for geochemical experiments and to provide additional constraint to the stratigraphic model) from the Ringold Formation to place local-scale lithofacies successions, and their distinct hydrologic property distributions, into the basinal context, thus allowing us to estimate the spatial distributions of properties that control reactive solute transport in the subsurface.

  7. Influence of reservoirs on solute transport: A regional-scale approach

    USGS Publications Warehouse

    Kelly, V.J.

    2001-01-01

    Regional transport of water and dissolved constituents through heavily regulated river systems is influenced by the presence of reservoirs. Analysis of seasonal patterns in solute fluxes for salinity and nutrients indicates that in-reservoir processes within large storage reservoirs in the Rio Grande and Colorado basins (southwestern USA) are superimposed over the underlying watershed processes that predominate in relatively unregulated stream reaches. Connectivity of the aquatic system with the landscape is apparently disrupted by processes within the reservoir systems; these processes result in large changes in characteristics for solute transport that persist downstream in the absence of significant inputs. Additionally, reservoir processes may be linked for upstream/downstream reservoirs that are located relatively close in a series. In contrast, the regional effect of in-reservoir processes is negligible for solute transport through run-of-river reservoirs in the lower Columbia River (northwestern USA).

  8. An optimal transport approach for seismic tomography: application to 3D full waveform inversion

    NASA Astrophysics Data System (ADS)

    Métivier, L.; Brossier, R.; Mérigot, Q.; Oudet, E.; Virieux, J.

    2016-11-01

    The use of optimal transport distance has recently yielded significant progress in image processing for pattern recognition, shape identification, and histograms matching. In this study, the use of this distance is investigated for a seismic tomography problem exploiting the complete waveform; the full waveform inversion. In its conventional formulation, this high resolution seismic imaging method is based on the minimization of the L 2 distance between predicted and observed data. Application of this method is generally hampered by the local minima of the associated L 2 misfit function, which correspond to velocity models matching the data up to one or several phase shifts. Conversely, the optimal transport distance appears as a more suitable tool to compare the misfit between oscillatory signals, for its ability to detect shifted patterns. However, its application to the full waveform inversion is not straightforward, as the mass conservation between the compared data cannot be guaranteed, a crucial assumption for optimal transport. In this study, the use of a distance based on the Kantorovich-Rubinstein norm is introduced to overcome this difficulty. Its mathematical link with the optimal transport distance is made clear. An efficient numerical strategy for its computation, based on a proximal splitting technique, is introduced. We demonstrate that each iteration of the corresponding algorithm requires solving the Poisson equation, for which fast solvers can be used, relying either on the fast Fourier transform or on multigrid techniques. The development of this numerical method make possible applications to industrial scale data, involving tenths of millions of discrete unknowns. The results we obtain on such large scale synthetic data illustrate the potentialities of the optimal transport for seismic imaging. Starting from crude initial velocity models, optimal transport based inversion yields significantly better velocity reconstructions than those based on

  9. Interrogating Emergent Transport Properties for Molecular Motor Ensembles: A Semi-analytical Approach

    PubMed Central

    Materassi, Donatello; Li, Mingang; Hays, Thomas; Salapaka, Murti

    2016-01-01

    Intracellular transport is an essential function in eucaryotic cells, facilitated by motor proteins—proteins converting chemical energy into kinetic energy. It is understood that motor proteins work in teams enabling unidirectional and bidirectional transport of intracellular cargo over long distances. Disruptions of the underlying transport mechanisms, often caused by mutations that alter single motor characteristics, are known to cause neurodegenerative diseases. For example, phosphorylation of kinesin motor domain at the serine residue is implicated in Huntington’s disease, with a recent study of phosphorylated and phosphomimetic serine residues indicating lowered single motor stalling forces. In this article we report the effects of mutations of this nature on transport properties of cargo carried by multiple wild-type and mutant motors. Results indicate that mutants with altered stall forces might determine the average velocity and run-length even when they are outnumbered by wild type motors in the ensemble. It is shown that mutants gain a competitive advantage and lead to an increase in the expected run-length when the load on the cargo is in the vicinity of the mutant’s stalling force or a multiple of its stalling force. A separate contribution of this article is the development of a semi-analytic method to analyze transport of cargo by multiple motors of multiple types. The technique determines transition rates between various relative configurations of motors carrying the cargo using the transition rates between various absolute configurations. This enables a computation of biologically relevant quantities like average velocity and run-length without resorting to Monte Carlo simulations. It can also be used to introduce alterations of various single motor parameters to model a mutation and to deduce effects of such alterations on the transport of a common cargo by multiple motors. Our method is easily implementable and we provide a software package

  10. Boundary-projection acceleration: A new approach to synthetic acceleration of transport calculations

    SciTech Connect

    Adams, M.L.; Martin, W.R.

    1987-01-01

    We present a new class of synthetic acceleration methods which can be applied to transport calculations regardless of geometry, discretization scheme, or mesh shape. Unlike other synthetic acceleration methods which base their acceleration on P1 equations, these methods use acceleration equations obtained by projecting the transport solution onto a coarse angular mesh only on cell boundaries. We demonstrate, via Fourier analysis of a simple model problem as well as numerical calculations of various problems, that the simplest of these methods are unconditionally stable with spectral radius less than or equal toc/3 (c being the scattering ratio), for several different discretization schemes in slab geometry. 28 refs., 4 figs., 3 tabs.

  11. A data-driven approach to establishing microstructure-property relationships in porous transport layers of polymer electrolyte fuel cells

    NASA Astrophysics Data System (ADS)

    Çeçen, A.; Fast, T.; Kumbur, E. C.; Kalidindi, S. R.

    2014-01-01

    The diffusion media (DM) has been shown to be a vital component for performance of polymer electrolyte fuel cells (PEFCs). The DM has a dual-layer structure composed of a macro-substrate referred to as the gas diffusion layer (GDL) coated with a micro-porous layer (MPL). Efficient prediction of the effective transport properties of the DM from its internal structure is essential to optimizing the multifunctional characteristics of this critical component. In this work, a unique data-driven approach to establishing structure-property correlations is introduced and applied to the case of gas diffusion in the GDL and MPL. This new approach provides an automated process to produce unbiased estimators to microstructural variance, in contrast to many process-related (hence biased) parameters employed by prominent correlations in the field. The present approach starts with a rigorous quantification of microstructure in the form of n-point statistics. It is followed by the identification of the key aspects of the internal structure through the use of principle component analysis. A data-driven correlation is established when the principal components are related to effective diffusivity by multivariate linear regression. This data-driven approach is compared to the conventional correlations and shown to achieve a very high accuracy for capturing the diffusive transport in the tested PEFC components.

  12. Salinity tolerance in plants. Quantitative approach to ion transport starting from halophytes and stepping to genetic and protein engineering for manipulating ion fluxes

    PubMed Central

    Volkov, Vadim

    2015-01-01

    Ion transport is the fundamental factor determining salinity tolerance in plants. The Review starts from differences in ion transport between salt tolerant halophytes and salt-sensitive plants with an emphasis on transport of potassium and sodium via plasma membranes. The comparison provides introductory information for increasing salinity tolerance. Effects of salt stress on ion transport properties of membranes show huge opportunities for manipulating ion fluxes. Further steps require knowledge about mechanisms of ion transport and individual genes of ion transport proteins. Initially, the Review describes methods to measure ion fluxes, the independent set of techniques ensures robust and reliable basement for quantitative approach. The Review briefly summarizes current data concerning Na+ and K+ concentrations in cells, refers to primary thermodynamics of ion transport and gives special attention to individual ion channels and transporters. Simplified scheme of a plant cell with known transport systems at the plasma membrane and tonoplast helps to imagine the complexity of ion transport and allows choosing specific transporters for modulating ion transport. The complexity is enhanced by the influence of cell size and cell wall on ion transport. Special attention is given to ion transporters and to potassium and sodium transport by HKT, HAK, NHX, and SOS1 proteins. Comparison between non-selective cation channels and ion transporters reveals potential importance of ion transporters and the balance between the two pathways of ion transport. Further on the Review describes in detail several successful attempts to overexpress or knockout ion transporters for changing salinity tolerance. Future perspectives are questioned with more attention given to promising candidate ion channels and transporters for altered expression. Potential direction of increasing salinity tolerance by modifying ion channels and transporters using single point mutations is discussed and

  13. Salinity tolerance in plants. Quantitative approach to ion transport starting from halophytes and stepping to genetic and protein engineering for manipulating ion fluxes.

    PubMed

    Volkov, Vadim

    2015-01-01

    Ion transport is the fundamental factor determining salinity tolerance in plants. The Review starts from differences in ion transport between salt tolerant halophytes and salt-sensitive plants with an emphasis on transport of potassium and sodium via plasma membranes. The comparison provides introductory information for increasing salinity tolerance. Effects of salt stress on ion transport properties of membranes show huge opportunities for manipulating ion fluxes. Further steps require knowledge about mechanisms of ion transport and individual genes of ion transport proteins. Initially, the Review describes methods to measure ion fluxes, the independent set of techniques ensures robust and reliable basement for quantitative approach. The Review briefly summarizes current data concerning Na(+) and K(+) concentrations in cells, refers to primary thermodynamics of ion transport and gives special attention to individual ion channels and transporters. Simplified scheme of a plant cell with known transport systems at the plasma membrane and tonoplast helps to imagine the complexity of ion transport and allows choosing specific transporters for modulating ion transport. The complexity is enhanced by the influence of cell size and cell wall on ion transport. Special attention is given to ion transporters and to potassium and sodium transport by HKT, HAK, NHX, and SOS1 proteins. Comparison between non-selective cation channels and ion transporters reveals potential importance of ion transporters and the balance between the two pathways of ion transport. Further on the Review describes in detail several successful attempts to overexpress or knockout ion transporters for changing salinity tolerance. Future perspectives are questioned with more attention given to promising candidate ion channels and transporters for altered expression. Potential direction of increasing salinity tolerance by modifying ion channels and transporters using single point mutations is discussed and

  14. A novel approach for the characterisation of transport and optical properties of aerosol particles near sources - Part II: Microphysics-chemistry-transport model development and application

    NASA Astrophysics Data System (ADS)

    Valdebenito B, Álvaro M.; Pal, Sandip; Behrendt, Andreas; Wulfmeyer, Volker; Lammel, Gerhard

    2011-06-01

    A new high-resolution microphysics-chemistry-transport model (LES-AOP) was developed and applied for the investigation of aerosol transformation and transport in the vicinity of a livestock facility in northern Germany (PLUS1 field campaign). The model is an extension of a Large-Eddy Simulation (LES) model. The PLUS1 field campaign included the first deployment of the new eye-safe scanning aerosol lidar system of the University of Hohenheim. In a combined approach, model and lidar results were used to characterise a faint aerosol source. The farm plume structure was investigated and the absolute value of its particle backscatter coefficient was determined. Aerosol optical properties were predicted on spatial and temporal resolutions below 100 m and 1 min, upon initialisation by measured meteorological and size-resolved particulate matter mass concentration and composition data. Faint aerosol plumes corresponding to a particle backscatter coefficient down to 10 -6 sr -1 m -1 were measured and realistically simulated. Budget-related quantities such as the emission flux and change of the particulate matter mass, were estimated from model results and ground measurements.

  15. Integrating air pollution modelling with scenario testing in road transport planning: the TRAEMS approach.

    PubMed

    Affum, J K; Brown, A L; Chan, Y C

    2003-08-01

    Transport add-on environmental modelling system (TRAEMS) is a GIS-based environmental modelling system designed to evaluate the environmental consequences of road traffic in urban areas. Its development has been underpinned by the premises that the evaluation of road traffic impacts is best undertaken during the early planning stages of road networks, and that this can utilise much of the data generated by the transport planners themselves as they apply their travel demand models as to planning of road networks. The system integrates information about traffic-usually from travel-forecasting models-with information about land use, to provide the input data to a range of commonly used models that estimate pollution from a road traffic system, and the energy consumption of that system. TRAEMS facilitates this integration and allows land use, transport and environmental planners to have rapid feedback on the environmental effects of road transport network scenarios that are being developed and tested. Its purpose is to aid in the selection of environmentally-preferred road networks and to highlight where management of pollution levels on future road networks will be required. TRAEMS has a modular structure. This paper describes the main features of the air pollution and fuel consumption modules of the system and illustrates the system's utility through case studies at both metropolitan-wide- and local-area scales.

  16. New approach to the solution of the Boltzmann radiation transport equation

    NASA Astrophysics Data System (ADS)

    Boffi, Vinicio C.; Dunn, William L.

    1987-03-01

    Transport monodimensional stationary solutions for the angular space-energy neutron flux, of interest in radiation penetration problems, are studied by Green's function method. Explicit analytical results for the spatial moments of the sought solution are obtained for the case of an isotropically scattering slab of infinite thickness and of a continuous slowing down model in energy.

  17. New Approaches to Quantifying Transport Model Error in Atmospheric CO2 Simulations

    NASA Technical Reports Server (NTRS)

    Ott, L.; Pawson, S.; Zhu, Z.; Nielsen, J. E.; Collatz, G. J.; Gregg, W. W.

    2012-01-01

    In recent years, much progress has been made in observing CO2 distributions from space. However, the use of these observations to infer source/sink distributions in inversion studies continues to be complicated by difficulty in quantifying atmospheric transport model errors. We will present results from several different experiments designed to quantify different aspects of transport error using the Goddard Earth Observing System, Version 5 (GEOS-5) Atmospheric General Circulation Model (AGCM). In the first set of experiments, an ensemble of simulations is constructed using perturbations to parameters in the model s moist physics and turbulence parameterizations that control sub-grid scale transport of trace gases. Analysis of the ensemble spread and scales of temporal and spatial variability among the simulations allows insight into how parameterized, small-scale transport processes influence simulated CO2 distributions. In the second set of experiments, atmospheric tracers representing model error are constructed using observation minus analysis statistics from NASA's Modern-Era Retrospective Analysis for Research and Applications (MERRA). The goal of these simulations is to understand how errors in large scale dynamics are distributed, and how they propagate in space and time, affecting trace gas distributions. These simulations will also be compared to results from NASA's Carbon Monitoring System Flux Pilot Project that quantified the impact of uncertainty in satellite constrained CO2 flux estimates on atmospheric mixing ratios to assess the major factors governing uncertainty in global and regional trace gas distributions.

  18. Axonal transport of calmodulin: a physiologic approach to identification of long-term associations between proteins

    PubMed Central

    1981-01-01

    Calmodulin is a soluble, heat-stable protein which has been shown to modulate both membrane-bound and soluble enzymes, but relatively little has been known about the in vivo associations of calmodulin. A 17,000- dalton heat-stable protein was found to move in axonal transport in the guinea pig visual system with the proteins of slow component b (SCb; 2 mm/d) along with actin and the bulk of the soluble proteins of the axon. Co-electrophoresis of purified calmodulin and radioactively labeled SCb proteins in two dimensional polyacrylamide gel electrophoresis (PAGE) demonstrated the identity of the heat-stable SCb protein and calmodulin on the basis of pI, molecular weight, and anomalous migration in the presence of Ca2+-chelating agents. No proteins co-migrating with calmodulin in two-dimensional PAGE could be detected among the proteins of slow component a (SCa; 0.3 mm/d, microtubules and neurofilaments) or fast component (FC; 250 mm/d, membrane-associated proteins). We conclude that calmodulin is transported solely as part of the SCb complex of proteins, the axoplasmic matrix. Calmodulin moves in axonal transport independent of the movements of microtubules (SCa) and membranes (FC), which suggests that the interactions of calmodulin with these structures may represent a transient interaction between groups of proteins moving in axonal transport at different rates. Axonal transport has been shown to be an effective tool for the demonstration of long-term in vivo protein associations. PMID:6166619

  19. In vitro models of tumor vessels and matrix: Engineering approaches to investigate transport limitations and drug delivery in cancer

    PubMed Central

    Fischbach, Claudia

    2014-01-01

    Tumor-stroma interactions have emerged as critical determinants of drug efficacy. However, the underlying biological and physicochemical mechanisms by which the microenvironment regulates therapeutic response remain unclear, due in part to a lack of physiologically relevant in vitro platforms to accurately interrogate tissue-level phenomena. Tissue-engineered tumor models are beginning to address this shortcoming. By allowing selective incorporation of microenvironmental complexity, these platforms afford unique access to tumor-associated signaling and transport dynamics. This review will focus on engineering approaches to study drug delivery as a function of tumor-associated changes of the vasculature and extracellular matrix (ECM). First, we review current biological understanding of these components and discuss their impact on transport processes. Then, we evaluate existing microfluidic, tissue engineering, and materials science strategies to recapitulate vascular and ECM characteristics of tumors, and finish by outlining challenges and future directions of the field that may ultimately improve anti-cancer therapies. PMID:24309015

  20. In vitro models of tumor vessels and matrix: engineering approaches to investigate transport limitations and drug delivery in cancer.

    PubMed

    Seo, Bo Ri; Delnero, Peter; Fischbach, Claudia

    2014-04-01

    Tumor-stroma interactions have emerged as critical determinants of drug efficacy. However, the underlying biological and physicochemical mechanisms by which the microenvironment regulates therapeutic response remain unclear, due in part to a lack of physiologically relevant in vitro platforms to accurately interrogate tissue-level phenomena. Tissue-engineered tumor models are beginning to address this shortcoming. By allowing selective incorporation of microenvironmental complexity, these platforms afford unique access to tumor-associated signaling and transport dynamics. This review will focus on engineering approaches to study drug delivery as a function of tumor-associated changes of the vasculature and extracellular matrix (ECM). First, we review current biological understanding of these components and discuss their impact on transport processes. Then, we evaluate existing microfluidic, tissue engineering, and materials science strategies to recapitulate vascular and ECM characteristics of tumors, and finish by outlining challenges and future directions of the field that may ultimately improve anti-cancer therapies.

  1. Final Report: Transport and its regulation in Marine Microorganisms: A Genomic Based Approach

    SciTech Connect

    Brian Palenik; Bianca Brahamsha; Ian Paulsen

    2009-09-03

    This grant funded the analysis and annotation of the genomes of Synechococcus and Ostreococcus, major marine primary producers. Particular attention was paid to the analysis of transporters using state of the art bioinformatics analyses. During the analysis of the Synechococcus genome, some of the components of the unique bacterial swimming apparatus of one species of Synechococcus (Clade III, strain WH8102) were determined and these included transporters, novel giant proteins and glycosyltransferases. This grant funded the analysis of gene expression in Synechococcus using whole genome microarrays. These analyses revealed the strategies by which marine cyanobacteria respond to environmental conditions such as the absence of phosphorus, a common limiting nutrient, and the interaction of Synechococcus with other microbes. These analyses will help develop models of gene regulation in cyanobacteria and thus help predict their responses to changes in environmental conditions.

  2. From Sequential Extraction to Transport Modeling, Monitored Natural Attenuation as a Remediation Approach for Inorganic Contaminants

    SciTech Connect

    POWELL, KIMBERLYR.

    2004-05-25

    Implementation of monitored natural attenuation (MNA) as a remediation method requires a mechanistic understanding of the natural attenuation processes occurring at a given site. For inorganic contaminants, natural attenuation typically involves a decrease in metal toxicity and/or mobility. These natural processes include dilution, dispersion, sorption (including adsorption, absorption, and precipitation), and redox processes. In order to better quantify these processes in terms of metal availability, sequential extraction experiments were carried out on subsurface soil samples impacted by a low pH, high sulfate, metals (Be, Ni, U, As) plume associated with the long-term operation of a coal plant at the Savannah River Site. These laboratory scale studies provide mechanistic information regarding the solid phases in the soils associated with natural attenuation of the contaminant metals. This data provides input to be evaluated in the definition of the contaminant source term as well as transport of contaminants for site transport models.

  3. Soft-Stowed Approach: Safe Transportation to ISS for Experiments, Spares & New Hardware

    NASA Astrophysics Data System (ADS)

    Itta, Antonietta; Quagliotti, Francesco

    2012-07-01

    The ISS operational and logistic scenario relies on the regular upload of new experiments and maintenance hardware. The extension of the ISS lifetime places even more emphasis on a resupply policy based on safe, cheap and flexible transportation solutions to ISS. A transportation method suitable for all available carriers is represented by foam packaged items put inside bags or containers. This flight condition can now be analyzed thanks to the results derived from an extensive test campaign performed by Boeing in 2009 under NASA sponsorship. Data and guidelines are provided for the calculation of the attenuated flight environments due to the soft packaging conditions. The paper also reports a real life application: the uploading to ISS of the Columbus PDU (some 90 kg) inside ATV II Johannes Kepler, wrapped in 1” of zotek and put inside a M01 bag. The mission was successful: PDU is today safely stored inside a Columbus Rack.

  4. A novel modelling approach to energy transport in a respiratory system.

    PubMed

    Nithiarasu, Perumal; Sazonov, Igor

    2016-11-24

    In this paper, energy transport in a respiratory tract is modelled using the finite element method for the first time. The upper and lower respiratory tracts are approximated as a 1-dimensional domain with varying cross-sectional and surface areas, and the radial heat conduction in the tissue is approximated using the 1-dimensional cylindrical coordinate system. The governing equations are solved using 1-dimensional linear finite elements with convective and evaporative boundary conditions on the wall. The results obtained for the exhalation temperature of the respiratory system have been compared with the available animal experiments. The study of a full breathing cycle indicates that evaporation is the main mode of heat transfer, and convection plays almost negligible role in the energy transport. This is in-line with the results obtained from animal experiments.

  5. A novel approach to hydrogen recovery, storage and transport: Final technical report

    SciTech Connect

    Fowler, M.C.; Sangiovanni, J.J.

    1988-12-01

    The obtaining of high purity hydrogen from the coal gasification process is a series of chemical reactions, several of which require preparation/purification. At any point in the process, it would be useful to have a chemical separation system which can purify the product hydrogen and store it in convenient form. The purpose of this research program is to evaluate one such candidate system, the catalytically reversible hydrogenation of an aromatic hydrocarbon, toluene, to its corresponding cyclical paraffin, methylcyclohexane. In this reaction scheme, the hydrogen present in the product flow from, in principle, any reaction in the coal gasification process is extracted from the flow by reaction with toluene, a readily transportable liquid at ambient temperatures, to form methylcyclohexane, MCH, which is also a liquid at ambient conditions. The hydrogen stored in the organic hydride could therefore be transported and released when desired in the reverse reaction to give recoverable toluene and the desired hydrogen. 13 refs., 30 figs., 22 tabs.

  6. Nonlocal Nature of the Viscous Transport in Supercooled Liquids: Complex Fluid Approach to Supercooled Liquids

    SciTech Connect

    Furukawa, Akira; Tanaka, Hajime

    2009-09-25

    Using molecular dynamics simulations, we show clear evidence for the nonlocal mesoscopic nature of the anomalous viscous transport in a supercooled liquid and its direct link to dynamic heterogeneity: (i) a distinct crossover from the microscopic to macroscopic viscosity at a mesoscopic length scale, which is comparable to the correlation length of dynamic heterogeneity and grows with an increase in the degree of supercooling; (ii) a strong anisotropic decay of the shear-stress autocorrelation at a finite wave number, which indicates intrinsic decoupling between the longitudinal and transverse dynamics. Our findings suggest the fundamental importance of the growing dynamic correlation in anomalous transport and shed new light on the nature of slow dynamics.

  7. A renormalization approach to describe charge transport in quasiperiodic dangling backbone ladder (DBL)-DNA molecules

    NASA Astrophysics Data System (ADS)

    Sarmento, R. G.; Fulco, U. L.; Albuquerque, E. L.; Caetano, E. W. S.; Freire, V. N.

    2011-10-01

    We study the charge transport properties of a dangling backbone ladder (DBL)-DNA molecule focusing on a quasiperiodic arrangement of its constituent nucleotides forming a Rudin-Shapiro (RS) and Fibonacci (FB) Poly (CG) sequences, as well as a natural DNA sequence (Ch22) for the sake of comparison. Making use of a one-step renormalization process, the DBL-DNA molecule is modeled in terms of a one-dimensional tight-binding Hamiltonian to investigate its transmissivity and current-voltage (I-V) profiles. Beyond the semiconductor I-V characteristics, a striking similarity between the electronic transport properties of the RS quasiperiodic structure and the natural DNA sequence was found.

  8. A Combined Approach Using Transporter-Flux Assays and Mass Spectrometry to Examine Psychostimulant Street Drugs of Unknown Content

    PubMed Central

    2012-01-01

    The illicit consumption of psychoactive compounds may cause short and long-term health problems and addiction. This is also true for amphetamines and cocaine, which target monoamine transporters. In the recent past, an increasing number of new compounds with amphetamine-like structure such as mephedrone or 3,4-methylenedioxypyrovalerone (MDPV) entered the market of illicit drugs. Subtle structural changes circumvent legal restrictions placed on the parent compound. These novel drugs are effectively marketed “designer drugs” (also called “research chemicals”) without any knowledge of the underlying pharmacology, the potential harm or a registration of the manufacturing process. Accordingly new entrants and their byproducts are identified postmarketing by chemical analysis and their pharmacological properties inferred by comparison to compounds of known structure. However, such a heuristic approach fails, if the structures diverge substantially from a known derivative. In addition, the understanding of structure–activity relations is too rudimentary to predict detailed pharmacological activity. Here, we tested a combined approach by examining the composition of street drugs using mass spectrometry and by assessing the functional activity of their constituents at the neuronal transporters for dopamine, serotonin, and norepinephrine. We show that this approach is superior to mere chemical analysis in recognizing novel and potentially harmful street drugs. PMID:23336057

  9. Multigrid Approach to Solving the Long Transportation Problem on a Regular Grid in Cost Space

    DTIC Science & Technology

    1993-06-01

    feasible solution has an optimal solution ( Bazaraa , 1990). Some traditional solution methods are presf-nted next. D. THE SIMPLEX METHOD Whenever feasible...root to every node in D. If the solution to a minimal cost flow problem is examined graphically it corresponds to a spanning tree in the network ( Bazaraa ...REFERENCES Balas, Egon, "Solution of Large-Scale Transportation Problems Through Aggregation," Operations Research, 13, 1965, pp. 82-84. Bazaraa , M.S

  10. Do anthropogenic transports facilitate stored-product pest moth dispersal? A molecular approach.

    PubMed

    Ryne, Camilla; Bensch, Staffan

    2008-02-01

    Stored-product moths cause large economic damage in food processing industries and storage facilities. Control of indoor pests is currently dealt with locally, and control strategies seldom include different mills or cooperative industries in joint efforts to reduce infestations. In colder climates where conditions hinder flight dispersal of stored-product moths, we hypothesize that human transport between mills will facilitate dispersal. Albeit considered intuitive, this hypothesis has so far never been tested. Male moths from three mills (populations) in southern Sweden and Denmark were collected and by using amplified fragment length polymorphism (AFLP) pair-wise F(st) values were calculated. Cluster (population) origins of the genotypes were computed by using a model-based method, structure. The results suggest that known transportation of flour between two mills generate genetically more similar populations of the economically important stored-product moth, Ephestia kuehniella (Zell.) (Lepidoptera; Pyralidae), compared to the third mill, with another distribution area, but situated geographically in between the other mills. The structure model placed the sampled genotypes to belong to either two or five original populations, with a higher probability of two original populations. The third mill was consistently different from the other two mills independent of the models' calculated number of populations. Although the study was restricted to three mills and one transportation route, it highlights the possibility that transportation of food products promotes genetic mixing (i.e. dispersal) of insect pest populations. Including cooperating mills in control (or monitor) strategy schemes against stored-product pest insects would therefore be a more effective action, rather than to treat each mill separately.

  11. Do anthropogenic transports facilitate stored-product pest moth dispersal? A molecular approach

    NASA Astrophysics Data System (ADS)

    Ryne, Camilla; Bensch, Staffan

    2008-02-01

    Stored-product moths cause large economic damage in food processing industries and storage facilities. Control of indoor pests is currently dealt with locally, and control strategies seldom include different mills or cooperative industries in joint efforts to reduce infestations. In colder climates where conditions hinder flight dispersal of stored-product moths, we hypothesize that human transport between mills will facilitate dispersal. Albeit considered intuitive, this hypothesis has so far never been tested. Male moths from three mills (populations) in southern Sweden and Denmark were collected and by using amplified fragment length polymorphism (AFLP) pair-wise F st values were calculated. Cluster (population) origins of the genotypes were computed by using a model-based method, structure. The results suggest that known transportation of flour between two mills generate genetically more similar populations of the economically important stored-product moth, Ephestia kuehniella (Zell.) (Lepidoptera; Pyralidae), compared to the third mill, with another distribution area, but situated geographically in between the other mills. The structure model placed the sampled genotypes to belong to either two or five original populations, with a higher probability of two original populations. The third mill was consistently different from the other two mills independent of the models’ calculated number of populations. Although the study was restricted to three mills and one transportation route, it highlights the possibility that transportation of food products promotes genetic mixing (i.e. dispersal) of insect pest populations. Including cooperating mills in control (or monitor) strategy schemes against stored-product pest insects would therefore be a more effective action, rather than to treat each mill separately.

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

    NASA Astrophysics Data System (ADS)

    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.

  13. An Integrated Hydrologic Modeling Approach to Cesium-137 Transport in Forested Fukushima Watersheds

    NASA Astrophysics Data System (ADS)

    Siirila-Woodburn, E. R.; Steefel, C. I.; Williams, K. H.; Birkholzer, J. T.

    2015-12-01

    The 2011 Fukushima Daiichi Nuclear Power Plant (FDNPP) accident in Japan resulted in a significant dissemination of cesium-137 (Cs-137) over a wide area west of the plant, including the contamination of many watersheds and the subsequent evacuation of many communities. Today approximately 90% of on-land Cs-137 fallout following the accident resides in the upper 5 cm of forest soils. While this can be partially attributed to the forested composition of the prefecture (70%), there is also difficulty in cleanup efforts in these regions due to a lack of understanding and predictive capability of radioisotopes transport at the catchment to watershed scale. Subsequently, there is an uncertain, but likely long-term impact on local communities with implications for the use of nuclear energy use worldwide. Due to the complex nature of forest eco-hydrology, sophisticated modeling tools to accurately predict Cs-137 fluxes across different spatial and temporal scales are required. High fidelity, high resolution numerical modeling techniques in conjunction with parallel high performance computing is required to accurately determine transport and feedbacks in these complex systems. To better understand the fundamental transport of Cs-137, a watershed near the FDNPP is modeled with an integrated hydrologic model that includes variably saturated groundwater and overland flow in addition to atmospheric and vegetative processes via a coupled land surface model. Of specific interest is the impact of land cover type on hydrologic flow in the area, which will likely play an important role in erosion patterns and the consequent transport of Cs-137 strongly sorbed to surface soils. Risk management practices (for example, passive remediation versus active remediation such as targeted logging) for two principal tree types (evergreen and deciduous) are informed given the simulated responses to flow patterns assuming different quantities and spatial distribution patterns of each tree type.

  14. Approach to novel functional foods for stress control 4. Regulation of serotonin transporter by food factors.

    PubMed

    Ito, Mikiko; Haito, Sakiko; Furumoto, Mari; Kawai, Yoshichika; Terao, Junji; Miyamoto, Ken-ichi

    2005-11-01

    Serotonin transporters (SERTs) are pre-synaptic proteins specialized for the clearance of serotonin following vesicular release at central nervous system (CNS) and enteric nervous system synapses. SERTs are high affinity targets in vivo for antidepressants such as serotonin selective reuptake inhibitors (SSRIs). These include 'medical' psychopharmacological agents such as analgesics and antihistamines, a plant extract called St John's Wort (Hypericum). Osteoclasts are the primary cells responsible for bone resorption. They arise by the differentiation of osteoclast precursors of the monocyte/macrophage lineage. The expression of SERTs was increased in RANKL-induced osteoclast-like cells. Using RANKL stimulation of RAW264.7 cells as a model system for osteoclast differentiation, we studied the direct effects of food factor on serotonin uptake. The SSRIs (fluoxetine and fluvoxamine) inhibited markedly (approximately 95%) in serotonin transport in differentiated osteoclast cells. The major components of St. John's Wort, hyperforin and hypericine were significantly decreased in serotonin transport activity. Thus, a new in vitro model using RANKL-induced osteoclast-like cells may be useful to analyze the regulation of SERT by food factors and SSRIs.

  15. Exact dynamics of dissipative electronic systems and quantum transport: Hierarchical equations of motion approach.

    PubMed

    Jin, Jinshuang; Zheng, Xiao; Yan, YiJing

    2008-06-21

    A generalized quantum master equation theory that governs the exact, nonperturbative quantum dissipation and quantum transport is formulated in terms of hierarchically coupled equations of motion for an arbitrary electronic system in contact with electrodes under either a stationary or a nonstationary electrochemical potential bias. The theoretical construction starts with the influence functional in path integral, in which the electron creation and annihilation operators are Grassmann variables. Time derivatives on the influence functionals are then performed in a hierarchical manner. Both the multiple-frequency dispersion and the non-Markovian reservoir parametrization schemes are considered for the desired hierarchy construction. The resulting hierarchical equations of motion formalism is in principle exact and applicable to arbitrary electronic systems, including Coulomb interactions, under the influence of arbitrary time-dependent applied bias voltage and external fields. Both the conventional quantum master equation and the real-time diagrammatic formalism of Schon and co-workers can be readily obtained at well defined limits of the present theory. We also show that for a noninteracting electron system, the present hierarchical equations of motion formalism terminates at the second tier exactly, and the Landuer-Buttiker transport current expression is recovered. The present theory renders an exact and numerically tractable tool to evaluate various transient and stationary quantum transport properties of many-electron systems, together with the involving nonperturbative dissipative dynamics.

  16. Sustainable transport planning using GIS and remote sensing: an integrated approach

    NASA Astrophysics Data System (ADS)

    Giorgoudis, Marios D.; Hadjimitsis, Diofantos G.; Shiftan, Yoram

    2014-08-01

    The main advantage of using GIS is its ability to access and analyze spatially distributed data. The applications of GIS to transportation can be viewed as involving either on data retrieval; data integrator; or data analysis. The use of remote sensing can assist the retrieval of land use changes. Indeed, the integration of GIS and remote sensing will be used to fill the gap in the smart transport planning. A four step research is going to be done in order to try to integrate the usage of GIS and remote sensing to sustainable transport planning. The proposed research will be held in the city of Limassol, Cyprus. The data that are going to be used are data that are going to be collected through questionnaires, and other available data from the Cyprus Public Works Department and from the Remote Sensing Laboratory and Geo-Environment Research Lab of the Cyprus University of Technology. Overall, statistical analysis and market segmentation of data will be done, the land usage will be examined, and a scenario building on mode choice will be held. This paper presents an overview of the methodology that will be adopted.

  17. Exact dynamics of dissipative electronic systems and quantum transport: Hierarchical equations of motion approach

    NASA Astrophysics Data System (ADS)

    Jin, Jinshuang; Zheng, Xiao; Yan, Yijing

    2008-06-01

    A generalized quantum master equation theory that governs the exact, nonperturbative quantum dissipation and quantum transport is formulated in terms of hierarchically coupled equations of motion for an arbitrary electronic system in contact with electrodes under either a stationary or a nonstationary electrochemical potential bias. The theoretical construction starts with the influence functional in path integral, in which the electron creation and annihilation operators are Grassmann variables. Time derivatives on the influence functionals are then performed in a hierarchical manner. Both the multiple-frequency dispersion and the non-Markovian reservoir parametrization schemes are considered for the desired hierarchy construction. The resulting hierarchical equations of motion formalism is in principle exact and applicable to arbitrary electronic systems, including Coulomb interactions, under the influence of arbitrary time-dependent applied bias voltage and external fields. Both the conventional quantum master equation and the real-time diagrammatic formalism of Schön and co-workers can be readily obtained at well defined limits of the present theory. We also show that for a noninteracting electron system, the present hierarchical equations of motion formalism terminates at the second tier exactly, and the Landuer-Büttiker transport current expression is recovered. The present theory renders an exact and numerically tractable tool to evaluate various transient and stationary quantum transport properties of many-electron systems, together with the involving nonperturbative dissipative dynamics.

  18. An Integrated Modeling Approach for Describing Fate and Transport of Perfluorinated Compounds (PFCs) in Estuarine Reservoir

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Nguyen Viet, T.; Wang, X.; Chen, H.; Gin, K. Y. H.

    2014-12-01

    The fate and transport processes of emerging contaminants in aquatic ecosystems are complex, which are not only determined by their own properties but also influenced by the environmental setting, physical, chemical and biological processes. A 3D-emerging contaminant model has been developed based on Delft3D water quality model and coupled with a hydrodynamic model and a catchment-scale 1D- hydrological and hydraulic model to study the possible fate and transport mechanisms of perfluorinated compounds (PFCs) in Marina Reservoir in Singapore. The main processes in the contaminant model include partitioning (among detritus, dissolved organic matter and phytoplankton), settling, resuspension and degradation. We used the integrated model to quantify the distribution of the total PFCs and two major components, namely perfluorooctanoate (PFOA) and perfluorooctane sulfonate (PFOS) in the water, sediments and organisms in the reservoir. The model yielded good agreement with the field measurements when evaluated based on the datasets in 2009 and 2010 as well as recent observations in 2013 and 2014. Our results elucidate that the model can be a useful tool to characterize the occurrence, sources, sinks and trends of PFCs both in the water column and in the sediments in the reservoir. Thisapproach provides a better understanding of mechanisms that influence the fate and transport of emerging contaminants and lays down a framework for future experiments to further explore how the dominant environmental factors change towards mitigation of emerging contaminants in the reservoirs.

  19. A Combined Approach to Model Reduction for Nonlinear Groundwater Flow and Solute Transport Simulations Using POD and DEIM.

    NASA Astrophysics Data System (ADS)

    Stanko, Z.; Boyce, S. E.; Yeh, W. W. G.

    2015-12-01

    Model reduction techniques using proper orthogonal decomposition (POD) have been very effective in applications to confined groundwater flow models. These techniques consist of performing a projection of the solution of the full model onto a reduced basis. POD combined with the snapshot approach has been successfully applied to highly discretized linear models. In many cases, the reduced model is orders of magnitude smaller than the full model and runs 1,000 times faster. For nonlinear models, such as the unconfined groundwater flow, direct application of POD requires additional calls to the full model to generate additional snapshots. This is time consuming and increases the dimension of the reduced model. The discrete empirical interpolation method (DEIM) is a technique that avoids the additional full model calls and captures the dynamics of the nonlinear term while reducing the dimensions. Here, POD and DEIM are combined to reduce both the nonlinear unconfined groundwater flow and solute transport equations. To prove the concept, simple one-dimensional models are created for MODFLOW and MT3DMS separately. The dual approach is then tested on a density-dependent flow and transport simulation using the LMT package developed for MODFLOW. For each iteration of the nonlinear flow solver and the transport solver, the respective reduced models are solved instead. Numerical experiments show that significant reduction is obtainable before errors become too large. This method is well suited for a coastal aquifer seawater intrusion scenario, where nonlinearities only exist in small subregions of the model domain. A fine discretization can be utilized and POD will effectively eliminate unnecessary parameterization by projecting the full model system matrix onto a subspace with fewer column dimensions. DEIM can then reduce the row dimension of the original system by using only those state variable nodes with the most influence. This combined approach allows for full

  20. A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations

    SciTech Connect

    Song, Linze; Shi, Qiang

    2015-05-07

    We present a new non-perturbative method to calculate the charge carrier mobility using the imaginary time path integral approach, which is based on the Kubo formula for the conductivity, and a saddle point approximation to perform the analytic continuation. The new method is first tested using a benchmark calculation from the numerical exact hierarchical equations of motion method. Imaginary time path integral Monte Carlo simulations are then performed to explore the temperature dependence of charge carrier delocalization and mobility in organic molecular crystals (OMCs) within the Holstein and Holstein-Peierls models. The effects of nonlocal electron-phonon interaction on mobility in different charge transport regimes are also investigated.

  1. An in-flight simulation of approach and landing of a STOL transport with adverse ground effect

    NASA Technical Reports Server (NTRS)

    Ellis, D. R.

    1976-01-01

    The results of an in-flight simulation program undertaken to study the problems of landing a representative STOL transport in the presence of adverse ground effects are presented. Landings were performed with variations in ground effect magnitude, ground effect lag, and thrust response. Other variations covered the effects of augmented lift response, SAS-failures, turbulence, segmented approach, and flare warning. The basic STOL airplane required coordinated use of both stick and throttle for consistently acceptable landings, and the presence of adverse ground effects made the task significantly more difficult. Ground effect lag and good engine response gave noticeable improvement, as did augmented lift response.

  2. Off-shell {N} = 2 linear multiplets in five dimensions

    NASA Astrophysics Data System (ADS)

    Ozkan, Mehmet

    2016-11-01

    We present a superconformal tensor calculus for an arbitrary number of five dimensional {N} = 2 linear multiplets. We also demonstrate how to construct higher derivative invariants, and produce higher order supersymmetric off-diagonal models. Finally, we show the procedure required for the derivation of the supersymmetric completion of the non-Abelian F 4 action.

  3. An approach to understanding hydrologic connectivity on the hillslope and the implications for nutrient transport

    NASA Astrophysics Data System (ADS)

    Stieglitz, Marc; Shaman, Jeff; McNamara, James; Engel, Victor; Shanley, Jamie; Kling, George W.

    2003-12-01

    Hydrologic processes control much of the export of organic matter and nutrients from the land surface. It is the variability of these hydrologic processes that produces variable patterns of nutrient transport in both space and time. In this paper, we explore how hydrologic "connectivity" potentially affects nutrient transport. Hydrologic connectivity is defined as the condition by which disparate regions on the hillslope are linked via subsurface water flow. We present simulations that suggest that for much of the year, water draining through a catchment is spatially isolated. Only rarely, during storm and snowmelt events when antecedent soil moisture is high, do our simulations suggest that mid-slope saturation (or near saturation) occurs and that a catchment connects from ridge to valley. Observations during snowmelt at a small headwater catchment in Idaho are consistent with these model simulations. During early season discharge episodes, in which the mid-slope soil column is not saturated, the electrical conductivity in the stream remains low, reflecting a restricted, local (lower slope) source of stream water and the continued isolation of upper and mid-slope soil water and nutrients from the stream system. Increased streamflow and higher stream water electrical conductivity, presumably reflecting the release of water from the upper reaches of the catchment, are simultaneously observed when the mid-slope becomes sufficiently wet. This study provides preliminary evidence that the seasonal timing of hydrologic connectivity may affect a range of ecological processes, including downslope nutrient transport, C/N cycling, and biological productivity along the toposequence. A better elucidation of hydrologic connectivity will be necessary for understanding local processes as well as material export from land to water at regional and global scales.

  4. Impact of Geological Characterization Uncertainties on Subsurface Flow & Transport Using a Stochastic Discrete Fracture Network Approach

    NASA Astrophysics Data System (ADS)

    Ezzedine, S. M.

    2009-12-01

    Fractures and fracture networks are the principal pathways for transport of water and contaminants in groundwater systems, enhanced geothermal system fluids, migration of oil and gas, carbon dioxide leakage from carbon sequestration sites, and of radioactive and toxic industrial wastes from underground storage repositories. A major issue to overcome when characterizing a fractured reservoir is that of data limitation due to accessibility and affordability. Moreover, the ability to map discontinuities in the rock with available geological and geophysical tools tends to decrease particularly as the scale of the discontinuity goes down. Geological characterization data include measurements of fracture density, orientation, extent, and aperture, and are based on analysis of outcrops, borehole optical and acoustic televiewer logs, aerial photographs, and core samples, among other techniques. All of these measurements are taken at the field scale through a very sparse limited number of deep boreholes. These types of data are often reduced to probability distribution functions for predictive modeling and simulation in a stochastic framework such as a stochastic discrete fracture network. Stochastic discrete fracture network models enable, through Monte Carlo realizations and simulations, probabilistic assessment of flow and transport phenomena that are not adequately captured using continuum models. Despite the fundamental uncertainties inherited within the probabilistic reduction of the sparse data collected, very little work has been conducted on quantifying uncertainty on the reduced probabilistic distribution functions. In the current study, using nested Monte Carlo simulations, we present the impact of parameter uncertainties of the distribution functions of fracture density, orientation, aperture and size on the flow and transport using topological measures such as fracture connectivity, physical characteristics such as effective hydraulic conductivity tensors, and

  5. An approach to understanding hydrologic connectivity on the hillslope and the implications for nutrient transport

    USGS Publications Warehouse

    Stieglitz, M.; Shaman, J.; McNamara, J.; Engel, V.; Shanley, J.; Kling, G.W.

    2003-01-01

    Hydrologic processes control much of the export of organic matter and nutrients from the land surface. It is the variability of these hydrologic processes that produces variable patterns of nutrient transport in both space and time. In this paper, we explore how hydrologic "connectivity" potentially affects nutrient transport. Hydrologic connectivity is defined as the condition by which disparate regions on the hillslope are linked via subsurface water flow. We present simulations that suggest that for much of the year, water draining through a catchment is spatially isolated. Only rarely, during storm and snowmelt events when antecedent soil moisture is high, do our simulations suggest that mid-slope saturation (or near saturation) occurs and that a catchment connects from ridge to valley. Observations during snowmelt at a small headwater catchment in Idaho are consistent with these model simulations. During early season discharge episodes, in which the mid-slope soil column is not saturated, the electrical conductivity in the stream remains low, reflecting a restricted, local (lower slope) source of stream water and the continued isolation of upper and mid-slope soil water and nutrients from the stream system. Increased streamflow and higher stream water electrical conductivity, presumably reflecting the release of water from the upper reaches of the catchment, are simultaneously observed when the mid-slope becomes sufficiently wet. This study provides preliminary evidence that the seasonal timing of hydrologic connectivity may affect a range of ecological processes, including downslope nutrient transport, C/N cycling, and biological productivity along the toposequence. A better elucidation of hydrologic connectivity will be necessary for understanding local processes as well as material export from land to water at regional and global scales. Copyright 2003 by the American Geophysical Union.

  6. Directional fabric measurements: an investigative approach to transport and depositional mechanisms in pyroclastic flows

    NASA Astrophysics Data System (ADS)

    Capaccioni, Bruno; Nappi, Giovanni; Valentini, Laura

    2001-07-01

    Computer-assisted image analysis data of rock fabrics from two quaternary ignimbrites in the Vulsini and Cimini Volcanic Districts of Central Italy are interpreted in terms of transport and depositional mechanisms. Samples were collected vertically at m spaces up two sections through each deposit. The Orvieto-Bagnoregio ignimbrite (OBI) is a non-welded ignimbrite that shows both fluctuations in the mean particle orientation values of up to approximately ±60°, and large variations in the strength of particle iso-orientation with height. The circular frequency distributions of particle orientations are almost always anisotropic and unimodal, in line with a theoretical Von Mises distribution (the circular equivalent of a unimodal, log-normal distribution). In contrast, the welded Cimina ignimbrite (CI) shows vertical homogeneities in mean orientation values with height, and generally lower degrees of anisotropy. Such differences are interpreted as being the results of different depositional mechanisms: incremental deposition at the base of a density-stratified, partially turbulent flow for the OBI; deposition of a laminar mass flow for the CI. In the former case, during transport particles under solidus temperature are subjected to a frictional regime, particles gliding and dispersive pressures, which finally produce size-inverse grading and variable fabric development, depending on the residence time of particles at the basal shear conditions. In the latter case, elongated particles, supported in a laminar flowing viscous matrix, undergo periodic motions which tend to develop parallel-to-flow iso-orientation. Fabric data in the deposit suggest vertical constancy in the rheological properties of the flow, absence of rheological decoupling and (shearing pervasively during transport) a minor importance of plug horizons.

  7. Novel therapeutic approaches targeting L-type amino acid transporters for cancer treatment

    PubMed Central

    Hayashi, Keitaro; Anzai, Naohiko

    2017-01-01

    L-type amino acid transporters (LATs) mainly assist the uptake of neutral amino acids into cells. Four LATs (LAT1, LAT2, LAT3 and LAT4) have so far been identified. LAT1 (SLC7A5) has been attracting much attention in the field of cancer research since it is commonly up-regulated in various cancers. Basic research has made it increasingly clear that LAT1 plays a predominant role in malignancy. The functional significance of LAT1 in cancer and the potential therapeutic application of the features of LAT1 to cancer management are described in this review. PMID:28144396

  8. Rethinking Drug Treatment Approaches in ALS by Targeting ABC Efflux Transporters

    DTIC Science & Technology

    2012-10-01

    disease  progression,  and  found  that   chronic  treatment  with  either   the...down   disease  progression  as  reported.     In  addition  to  evaluating  the  toxicity  of   chronic  Elacridar...far underestimated issue of disease -driven pharmacoresistance mediated by the multi-drug resistance (mdr) efflux transporter, P-glycoprotein

  9. Successful approaches to deploying a metropolitan intelligent transportation system. Final report, June 1997--July 1998

    SciTech Connect

    DeBlasio, A.J.; Jackson, D.W.; Tallon, A.C.; Powers, G.M.; O`Donnell, J.P.

    1999-03-01

    One study area of this evaluation is the Institutional Benefits Study, which is being conducted by analysts from the US DOT`s John A. Volpe National Transportation Systems Center (Volpe Center). The purpose of MDI Institutional Benefits Study is fivefold: Assessment actions taken to overcome institutional constraints; Identify the benefits of taking these actions and the investments needed to reap these benefits; Document lessons learned; Identify successful strategies that representatives of state and local governments can follow in planning and deploying ITS products; and Provide examples of legislation policies, procedures, and structures that facilitated the deployment of ITS.

  10. Representing intestinal drug transport in silico: an agent-oriented approach.

    PubMed

    Liu, Yu; Hunt, C Anthony

    2004-01-01

    A prototype Epithelio-Mimetic Device (EMD) was developed and tested. EMD components are designed to map logically to biological components at multiple levels of resolution. Those components are engineered to represent actual components within an in vitro cellular system used to study intestinal drug transport. Our goal is that the behaviors of the EMD closely match observed behaviors of the in vitro systems for a wide variety of drugs. Early stage system verification is achieved. The general patterns of experimental results from the EMD for a set of hypothetical drugs having a variety of physicochemical properties reasonably match observed patterns for a wide range of experimental conditions.

  11. Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

    NASA Astrophysics Data System (ADS)

    Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

    2016-10-01

    Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

  12. Communication: Electronic and transport properties of molecular junctions under a finite bias: A dual mean field approach

    SciTech Connect

    Liu, Shuanglong; Feng, Yuan Ping; Zhang, Chun

    2013-11-21

    We show that when a molecular junction is under an external bias, its properties cannot be uniquely determined by the total electron density in the same manner as the density functional theory for ground state properties. In order to correctly incorporate bias-induced nonequilibrium effects, we present a dual mean field (DMF) approach. The key idea is that the total electron density together with the density of current-carrying electrons are sufficient to determine the properties of the system. Two mean fields, one for current-carrying electrons and the other one for equilibrium electrons can then be derived. Calculations for a graphene nanoribbon junction show that compared with the commonly used ab initio transport theory, the DMF approach could significantly reduce the electric current at low biases due to the non-equilibrium corrections to the mean field potential in the scattering region.

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

    NASA Astrophysics Data System (ADS)

    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.

  14. Simulator study of flight characteristics of a large twin-fuselage cargo transport airplane during approach and landing

    NASA Technical Reports Server (NTRS)

    Grantham, W. D.; Deal, P. L.; Keyser, G. L., Jr.; Smith, P. M.

    1983-01-01

    A six degree-of-freedom, ground-based simulator study was conducted to evaluate the low speed flight characteristics of a twin fuselage cargo transport airplane and to compare these characteristics with those of a large, single fuselage (reference) transport configuration which was similar to the Lockheed C-5C airplane. The primary piloting task was the approach and landing. The results indicated that in order to achieve "acceptable' low speed handling qualities on the twin fuselage concept, considerable stability and control augmentation was required, and although the augmented airplane could be landed safely under adverse conditions, the roll performance of the aircraft had to be improved appreciably before the handling qualities were rated as being "satisfactory.' These ground-based simulation results indicated that a value of t sub phi = 30 (time required to bank 30 deg) less than 6 sec should result in "acceptable' roll response characteristics, and when t sub phi = 30 is less than 3.8 sec, "satisfactory' roll response should be attainable on such large and unusually configured aircraft as the subject twin fuselage cargo transport concept.

  15. A probabilistic approach for assessing the vulnerability of transportation infrastructure to flooding from sea level rise and storm surge.

    NASA Astrophysics Data System (ADS)

    Douglas, E. M.; Kirshen, P. H.; Bosma, K.; Watson, C.; Miller, S.; McArthur, K.

    2015-12-01

    There now exists a plethora of information attesting to the reality of our changing climate and its impacts on both human and natural systems. There also exists a growing literature linking climate change impacts and transportation infrastructure (highways, bridges, tunnels, railway, shipping ports, etc.) which largely agrees that the nation's transportation systems are vulnerable. To assess this vulnerability along the coast, flooding due to sea level rise and storm surge has most commonly been evaluated by simply increasing the water surface elevation and then estimating flood depth by comparing the new water surface elevation with the topographic elevations of the land surface. While this rudimentary "bathtub" approach may provide a first order identification of potential areas of vulnerability, accurate assessment requires a high resolution, physically-based hydrodynamic model that can simulate inundation due to the combined effects of sea level rise, storm surge, tides and wave action for site-specific locations. Furthermore, neither the "bathtub" approach nor other scenario-based approaches can quantify the probability of flooding due to these impacts. We developed a high resolution coupled ocean circulation-wave model (ADCIRC/SWAN) that utilizes a Monte Carlo approach for predicting the depths and associated exceedance probabilities of flooding due to both tropical (hurricanes) and extra-tropical storms under current and future climate conditions. This required the development of an entirely new database of meteorological forcing (e.g. pressure, wind speed, etc.) for historical Nor'easters in the North Atlantic basin. Flooding due to hurricanes and Nor'easters was simulated separately and then composite flood probability distributions were developed. Model results were used to assess the vulnerability of the Central Artery/Tunnel system in Boston, Massachusetts to coastal flooding now and in the future. Local and regional adaptation strategies were

  16. Landauer, Kubo, and microcanonical approaches to quantum transport and noise: A comparison and implications for cold-atom dynamics

    NASA Astrophysics Data System (ADS)

    Chien, Chih-Chun; Di Ventra, Massimiliano; Zwolak, Michael

    2014-08-01

    We compare the Landauer, Kubo, and microcanonical [J. Phys.: Condens. Matter 16, 8025 (2005), 10.1088/0953-8984/16/45/024] approaches to quantum transport for the average current, the entanglement entropy, and the semiclassical full-counting statistics (FCS). Our focus is on the applicability of these approaches to isolated quantum systems such as ultracold atoms in engineered optical potentials. For two lattices connected by a junction, we find that the current and particle number fluctuations from the microcanonical approach compare well with the values predicted by the Landauer formalism and FCS assuming a binomial distribution. However, we demonstrate that well-defined reservoirs (i.e., particles in Fermi-Dirac distributions) are not present for a substantial duration of the quasi-steady state. Thus, on the one hand, the Landauer assumption of reservoirs and/or inelastic effects is not necessary for establishing a quasi-steady state. Maintaining such a state indefinitely requires an infinite system, and in this limit well-defined Fermi-Dirac distributions can occur. On the other hand, as we show, the existence of a finite speed of particle propagation preserves the quasi-steady state irrespective of the existence of well-defined reservoirs. This indicates that global observables in finite systems may be substantially different from those predicted by an uncritical application of the Landauer formalism, with its underlying thermodynamic limit. Therefore, the microcanonical formalism which is designed for closed, finite-size quantum systems seems more suitable for studying particle dynamics in ultracold atoms. Our results highlight both the connection and differences with more traditional approaches to calculating transport properties in condensed matter systems, and will help guide the way to their simulations in cold-atom systems.

  17. Constrained Optimization of Average Arrival Time via a Probabilistic Approach to Transport Reliability

    PubMed Central

    Namazi-Rad, Mohammad-Reza; Dunbar, Michelle; Ghaderi, Hadi; Mokhtarian, Payam

    2015-01-01

    To achieve greater transit-time reduction and improvement in reliability of transport services, there is an increasing need to assist transport planners in understanding the value of punctuality; i.e. the potential improvements, not only to service quality and the consumer but also to the actual profitability of the service. In order for this to be achieved, it is important to understand the network-specific aspects that affect both the ability to decrease transit-time, and the associated cost-benefit of doing so. In this paper, we outline a framework for evaluating the effectiveness of proposed changes to average transit-time, so as to determine the optimal choice of average arrival time subject to desired punctuality levels whilst simultaneously minimizing operational costs. We model the service transit-time variability using a truncated probability density function, and simultaneously compare the trade-off between potential gains and increased service costs, for several commonly employed cost-benefit functions of general form. We formulate this problem as a constrained optimization problem to determine the optimal choice of average transit time, so as to increase the level of service punctuality, whilst simultaneously ensuring a minimum level of cost-benefit to the service operator. PMID:25992902

  18. Constrained Optimization of Average Arrival Time via a Probabilistic Approach to Transport Reliability.

    PubMed

    Namazi-Rad, Mohammad-Reza; Dunbar, Michelle; Ghaderi, Hadi; Mokhtarian, Payam

    2015-01-01

    To achieve greater transit-time reduction and improvement in reliability of transport services, there is an increasing need to assist transport planners in understanding the value of punctuality; i.e. the potential improvements, not only to service quality and the consumer but also to the actual profitability of the service. In order for this to be achieved, it is important to understand the network-specific aspects that affect both the ability to decrease transit-time, and the associated cost-benefit of doing so. In this paper, we outline a framework for evaluating the effectiveness of proposed changes to average transit-time, so as to determine the optimal choice of average arrival time subject to desired punctuality levels whilst simultaneously minimizing operational costs. We model the service transit-time variability using a truncated probability density function, and simultaneously compare the trade-off between potential gains and increased service costs, for several commonly employed cost-benefit functions of general form. We formulate this problem as a constrained optimization problem to determine the optimal choice of average transit time, so as to increase the level of service punctuality, whilst simultaneously ensuring a minimum level of cost-benefit to the service operator.

  19. Ergonomic analyses within the French transport and logistics sector: first steps towards a new "act elsewhere" prevention approach.

    PubMed

    Wioland, Liên

    2013-10-01

    Statistics from the French Employee National Health Insurance Fund indicate high accident levels in the transport sector. This study represents initial thinking on a new approach to transport sector prevention based on the assumption that a work situation could be improved by acting on another interconnected work situation. Ergonomic analysis of two connected work situations, involving the road haulage drivers and cross-docking platform employees, was performed to test this assumption. Our results show that drivers are exposed to a number of identified risks, but their multiple tasks raise the question of activity intensification. The conditions, under which the drivers will perform their work and take to the road, are partly determined by the quality and organisation of the platform with which they interact. We make a number of recommendations (e.g. changing handling equipment, re-appraising certain jobs) to improve platform organisation and employee working conditions with the aim of also improving driver conditions. These initial steps in this prevention approach appear promising, but more detailed investigation is required.

  20. Reactive Transport of Nitrate in Northern California Groundwater basins: An Integrated Characterization and Modeling Approach

    NASA Astrophysics Data System (ADS)

    Esser, B. K.; Moran, J. E.; Hudson, G. B.; Carle, S. F.; McNab, W.; Tompson, A. F.; Moore, K.; Beller, H.; Kane, S.; Eaton, G.

    2003-12-01

    More than 1/3 of active public drinking water supply wells in California produce water with nitrate-N levels indicative of anthropogenic inputs (> 4 mg/L). Understanding how the distribution of nitrate in California groundwater basins will evolve is vital to water supply and infrastructure planning. To address this need, we are studying the basin-scale reactive transport of nitrate in the Livermore and Llagas basins of Northern California. Both basins have increasingly urban populations heavily reliant on groundwater. A distinct nitrate "plume" exists in the Livermore Basin (Alameda County) whereas pervasive nitrate contamination exists in shallow groundwaters of the Llagas Basin (Santa Clara County). The sources and timing of nitrate contamination in these basins are not definitively known; septic systems, irrigated agriculture and livestock operations exist or have existed in both areas. The role of denitrification in controlling nitrate distribution is also unknown; dissolved oxygen levels are sufficiently low in portions of each basin as to indicate the potential for denitrification. We have collected water from 60 wells, and are determining both groundwater age (by the 3H/3He method) and the extent of denitrification (by the excess N2 method). Excess nitrogen is being determined by both membrane-inlet and noble gas mass spectrometry, using Ar and Ne content to account for atmospheric N2. We are also analyzing for stable istotopes of nitrate and water, nitrate co-contaminants, and general water quality parameters. Preliminary analysis of archival water district data from both basins suggests positive correlations of nitrate with Ca+2, Mg+2 and bicarbonate and negative correlation with pH. In the Llagas Basin, a negative correlation also exists between nitrate and temperature. Flow path-oriented reactive transport modeling is being explored as a tool to aid in the identification of both the sources of nitrate and evidence for denitrification in both basins

  1. Determination of the source regions for surface to stratosphere transport: An Eulerian backtracking approach

    NASA Astrophysics Data System (ADS)

    Haines, P. E.; Esler, J. G.

    2014-02-01

    A wide range of inverse problems in atmospheric transport and chemistry can be solved within the Eulerian backtracking framework. Here it is shown how a new and accurate numerical implementation can be used as an alternative to Lagrangian back trajectory methods in a wide class of process studies. As a key example, the question of how the (time-averaged) stratospheric flux of a finite lifetime chemical species depends upon the location(s) of its surface source(s) is addressed. The resulting sensitivity maps are demonstrated to be robust features of the global atmospheric circulation, with relatively low interannual variability. The maps serve as an at-a-glance resource for policymakers wishing to compare the likely impact of proposed emission locations for very short lived halogenated species on the total loading of stratospheric chlorine and bromine.

  2. 21st century space transportation system design approach - HL-20 personnel launch system

    NASA Astrophysics Data System (ADS)

    Stone, Howard W.; Piland, William M.

    1993-10-01

    This article provides an introduction to and overview of the research that was conducted on the HL-20 lifting body. The concept has been defined as an option for a personnel launch system (PLS) that is intended to carry six to eight Space Station Freedom crew persons. In this role the HL-20 will complement the Space Shuttle operation and ensure the ability to transport people to and from Earth orbit after the year 2000. The research covers a broad range of disciplines, including aerodynamics, aerodynamic heating and thermal protection systems, structural design, subsystem definition, trajectory and guidance system development for entry and abort, production and operations, and human factors. This article also presents the lifting-body heritage, design features of the concept, and HL-20/PLS mission requirements.

  3. 21st century space transportation system design approach - HL-20 personnel launch system

    NASA Technical Reports Server (NTRS)

    Stone, Howard W.; Piland, William M.

    1993-01-01

    This article provides an introduction to and overview of the research that was conducted on the HL-20 lifting body. The concept has been defined as an option for a personnel launch system (PLS) that is intended to carry six to eight Space Station Freedom crew persons. In this role the HL-20 will complement the Space Shuttle operation and ensure the ability to transport people to and from Earth orbit after the year 2000. The research covers a broad range of disciplines, including aerodynamics, aerodynamic heating and thermal protection systems, structural design, subsystem definition, trajectory and guidance system development for entry and abort, production and operations, and human factors. This article also presents the lifting-body heritage, design features of the concept, and HL-20/PLS mission requirements.

  4. Gas transport and bubble collapse in rhyolitic magma: an experimental approach

    NASA Astrophysics Data System (ADS)

    Westrich, Henry R.; Eichelberger, John C.

    1994-12-01

    A series of experiments was conducted to test concepts of porous flow degassing of rhyolitic magma during ascent and of the subsequent collapse of vesicles in degassed magma to form obsidian. Dense, synthetically hydrated, natural glasses were pressurized under water-saturated conditions and then decompressed to achieve a range of porosities in the presence of a tracer vapor, D2O. Rapid isotopic exchange indicative of vapor transport rather than of simple diffusion occurred at a porosity >60 vol.%, in accord with earlier gas permeability measurements on cold natural samples. In another series of experiments, natural and synthetic pumices, vesiculated by degassing to atmospheric pressure, rapidly collapsed to dense glass on repressurization to the modest pressures prevailing in lava flows. No relict bubble textures remained. These results support the hypothesis that effusive eruptions result from the syneruptive escape of gas from permeable magmatic foam, and that a process analogous to welding yields dense lavas when such foams are extruded.

  5. National, holistic, watershed-scale approach to understand the sources, transport, and fate of agricultural chemicals

    USGS Publications Warehouse

    Capel, P.D.; McCarthy, K.A.; Barbash, J.E.

    2008-01-01

    This paper is an introduction to the following series of papers that report on in-depth investigations that have been conducted at five agricultural study areas across the United States in order to gain insights into how environmental processes and agricultural practices interact to determine the transport and fate of agricultural chemicals in the environment. These are the first study areas in an ongoing national study. The study areas were selected, based on the combination of cropping patterns and hydrologic setting, as representative of nationally important agricultural settings to form a basis for extrapolation to unstudied areas. The holistic, watershed-scale study design that involves multiple environmental compartments and that employs both field observations and simulation modeling is presented. This paper introduces the overall study design and presents an overview of the hydrology of the five study areas. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  6. Arsenic transport between surface and groundwater in a moderately reducing zone: Geochemical approach

    NASA Astrophysics Data System (ADS)

    Khaska, Mahmoud; Le Gal La Salle, Corinne; Verdoux, Patrick

    2015-04-01

    Arsenic contamination represents a major risk to human health as one of the most prominent environmental causes of cancer mortality. Mining activities, particularly those involving arsenic rich ores have an impact on the environment and on human health that may persist for many decades after mine closure. The relationships between As released from alluvial aquifer in the vicinity of the sulfide-rich mine dumps was demonstrated with geochemical and isotopic tracers (major and traces elements, 87Sr/86Sr, 18O, 2H). Strontium isotopes were used to trace the transport of As downstream from a As rich tailing dam. Increasing As and Fe concentrations in surface water are explained by As release associated with alluvial groundwater discharge to the stream. This process occurs in a moderately reduced section of the stream downgradient from the sulfide-rich tailing dam. High As, total Fe and low Eh in groundwater confirm the discharge of alluvial groundwater and explain its impact on surface water. Transport of As between surface and groundwater can be described as follows: 1- Subsurface moderately reducing conditions prevail in groundwater downgradient from the tailing dams. This suggests a flux of reduced water from sulfide-rich tailing dams which is characterized by its high As and Fe content resulting from the reduction of Fe-sulfides. 2- Upon mixing with surface water, oxidizing conditions prevails and precipitate as Fe hydroxide on the stream bed. As and Sr subsequently adsorbed on the Fe -oxyhydroxide surface. This process contributes to the immobilization of As in surface water. Remaining dissolved As in surface water can be re-introduced in alluvial groundwater downstream of the reducing zone.

  7. Urban and rural transport of semivolatile organic compounds at regional scale: A multimedia model approach.

    PubMed

    Song, Shuai; Su, Chao; Lu, Yonglong; Wang, Tieyu; Zhang, Yueqing; Liu, Shijie

    2016-01-01

    Urban areas are generally regarded as major sources of some semivolatile organic compounds and other persistent organic pollutants (POPs) to the surrounding regions. Huge differences in contaminant emissions between urban and rural areas directly affect their fate in environmental media. Little is known about POPs behavior between urban and rural areas at a regional scale. A spatially resolved Berkeley-Trent-Urban-Rural Fate Model (BETR-UR) was designed by coupling land cover information to simulate the transport of POPs between urban and rural areas, and the Bohai Rim was used as a case study to estimate Polycyclic Aromatic Hydrocarbon (PAH) fate. The processes of contaminant fate including emission, inter-compartmental transfer, advection and degradation in urban and rural areas were simulated in the model. Simulated PAH concentrations in environmental media of urban and rural areas were very close to measured values. The model accuracy was highly improved, with the average absolute relative error for PAH concentrations reduced from 37% to 3% compared with unimproved model results. PAH concentrations in urban soil and air were considerably higher than those in rural areas. Sensitivity analysis showed temperature was the most influential parameter for Phen rather than for Bap, whose fate was more influenced by emission rate, compartment dimension, transport velocity and chemical persistence. Uncertainty analysis indicated modeled results in urban media had higher uncertainty than those in rural areas due to larger variations of emissions in urban areas. The differences in urban and rural areas provided us with valuable guidance on policy setting for urban-rural POP control.

  8. Rethinking Drug Treatment Approaches in ALS by Targeting ABC Efflux Transporters

    DTIC Science & Technology

    2014-12-01

    Distribution Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Despite multiple therapeutic efforts targeting a variety of underlying pathogenic mechanisms...approaches to cure the mouse the models amyotrophic lateral sclerosis (ALS) have failed. With the exception of Riluzole (the only drug approved by the... Sclerosis (ALS), but there is limited progress translating effective treatments to animal models and patients, and ALS remains a disease with no

  9. Nitrogen transport and transformations in a shallow aquifer receiving wastewater discharge: A mass balance approach

    USGS Publications Warehouse

    DeSimone, L.A.; Howes, B.L.

    1998-01-01

    Nitrogen transport and transformations were followed over the initial 3 years of development of a plume of wastewater-contaminated groundwater in Cape Cod, Massachusetts. Ammonification and nitrification in the unsaturated zone and ammonium sorption in the saturated zone were predominant, while loss of fixed nitrogen through denitrification was minor. The major effect of transport was the oxidation of discharged organic and inorganic forms to nitrate, which was the dominant nitrogen form in transit to receiving systems. Ammonification and nitrification in the unsaturated zone transformed 16-19% and 50-70%, respectively, of the total nitrogen mass discharged to the land surface during the study but did not attenuate the nitrogen loading. Nitrification in the unsaturated zone also contributed to a pH decrease of 2 standard units and to an N2O increase (46-660 ??g N/L in the plume). Other processes in the unsaturated zone had little net effect: Ammonium sorption removed <1% of the total discharged nitrogen mass; filtering of particulate organic nitrogen was less than 3%; ammonium and nitrate assimilation was less than 6%; and ammonia volatilization was less than 0.25%. In the saturated zone a central zone of anoxic groundwater (DO ??? 0.05 mg/L) was first detected 17 months after effluent discharge to the aquifer began, which expanded at about the groundwater-flow velocity. Although nitrate was dominant at the water table, the low, carbon-limited rates of denitrification in the anoxic zone (3.0-9.6 (ng N/cm3)/d) reduced only about 2% of the recharged nitrogen mass to N2. In contrast, ammonium sorption in the saturated zone removed about 16% of the recharged nitrogen mass from the groundwater. Ammonium sorption was primarily limited to anoxic zone, where nitrification was prevented, and was best described by a Langmuir isotherm in which effluent ionic concentrations were simulated. The initial nitrogen load discharged from the groundwater system may depend largely on

  10. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    SciTech Connect

    Rezai, Raheleh Ebrahimi, Farshad

    2014-04-15

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron–electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current–voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron–electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U{sup 2} IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior. -- Highlights: •We introduce for the first time the non-equilibrium method of STLS for Hubbard type models. •We determine the transport properties of SIAM using the non-equilibrium STLS method. •We compare our results with order-U2 IPT and NRG. •We show that non-equilibrium STLS, contrary to the GW and self-consistent RPA, produces the two Hubbard peaks in DOS. •We show that the method keeps the universal scaling behavior and correct

  11. Relationship between Rap1 protein phosphorylation and regulation of Ca2+ transport in platelets: a new approach.

    PubMed Central

    Magnier, C; Corvazier, E; Aumont, M C; Le Jemtel, T H; Enouf, J

    1995-01-01

    Although the interrelationship between the two messengers Ca2+ and cyclic AMP in platelet function is well documented, its mechanism of action still remains to be established. We investigated here the question of the regulation of platelet Ca(2+)-ATPases by cyclic AMP through the phosphorylation of the Rap1 protein using a pathological model. We first found experimental conditions where Ca(2+)-transport by platelet membrane vesicles appeared to be dependent on the phosphorylation of the Rap1 protein. Then, we studied platelets of patients with congestive heart failure for their expression of the potential 97 kDa Ca(2+)-ATPase target of regulation through the Rap1 protein as well as the phosphorylation of the Rap1 protein using the catalytic subunit of the cyclic AMP-dependent protein kinase (C. Sub.). In the first patients studied, we found no significant modification in the expression of the 97 kDa Ca(2+)-ATPase by Western blotting using the PL/IM 430 monoclonal antibody which specifically recognized this isoform. In contrast, the Rap1 protein was differentially phosphorylated when using 15 micrograms/ml of the C. Sub. These results allowed us to use these pathological platelets to study the relationship between the expression of Rap1 protein and the regulation of Ca2+ transport by selecting a patient with severe heart failure. We could show a decrease in the expression as well as in the phosphorylation of Rap1 protein and demonstrate a lower effect of C. Sub. on Ca2+ transport. Finally, by studying a further series of patients, we could confirm that the decrease in Rap1 protein expression in heart failure, whatever its extent, was variable, and could strictly correlate the expression of Rap1 protein with the stimulatory effect of C. Sub. on Ca2+ transport. Besides the evidence for regulation of the expression of the Rap1 protein in platelets from patients with heart failure, these findings constitute a new approach in favour of the regulation of platelet Ca2

  12. A multilevel cost-space approach to solving the balanced long transportation problem

    NASA Technical Reports Server (NTRS)

    Cavanaugh, Kevin J.; Henson, Van Emden

    1993-01-01

    We develop a multilevel scheme for solving the balanced long transportation problem, that is, given a set (c(sub kj)) of shipping costs from a set of M supply nodes S(sub k) to a set of N demand nodes D(sub j), we seek to find a set of flows, (x(sub kj)), that minimizes the total cost Sigma(sub k=1)(exp M) Sigma(sub j=1)(exp N) x(sub kj)c(sub kj). We require that the problem be balanced, that is, the total demand must equal the total supply. Solution techniques for this problem are well known from optimization and linear programming. We examine this problem, however, in order to develop principles that can then be applied to more intractible problems of optimization. We develop a multigrid scheme for solving the problem, defining the grids, relaxation, and intergrid operators. Numerical experimentation shows that this line of research may prove fruitful. Further research directions are suggested.

  13. Metabolic Control of Type 2 Diabetes by Targeting the GLUT4 Glucose Transporter: Intervention Approaches.

    PubMed

    Alam, Fahmida; Islam, Md Asiful; Khalil, Md Ibrahim; Gan, Siew Hua

    2016-01-01

    Type 2 diabetes mellitus (T2DM), the most common form of diabetes, is characterized by insulin resistance in the hepatic and peripheral tissues. Glucose transporter 4 (GLUT4) plays a major role in the pathophysiology of T2DM. Its defective expression or translocation to the peripheral cell plasma membrane in T2DM patients hinders the entrance of glucose into the cell for energy production. In addition to suitable drugs, an appropriate diet and/or exercise can be implemented to target the increase in GLUT4 expression, GLUT4 concentrations and GLUT4 translocation to the cell surface when managing the glucose metabolism of T2DM patients. In this review, we discussed successful intervention strategies that were individually administered or coupled with diet and/or exercise and affected the expression and translocation of GLUT4 in T2DM while reducing the excess glucose load from the blood. Additionally, some potentially good synthetic and natural compounds, which can activate the insulin-independent GLUT4 signaling pathways for the efficient management of T2DM, are highlighted as possible targets or emerging alternative sources for future anti-diabetic drug development.

  14. A Phosphorus Index that Combines Critical Source Areas and Transport Pathways using a Travel Time Approach

    NASA Astrophysics Data System (ADS)

    Buchanan, B. P.; Walter, T.; Shaw, S. B.; Easton, Z. M.

    2012-12-01

    Spatially distributed nonpoint source (NPS) pollution indices are used to identify areas in a watershed where potential pollutant loading coincides with runoff generating areas. However, most such indices either ignore the degree of hydrologic connectivity to the stream network or they estimate it based simply on the distance of the pollution generating area from an open channel. We propose an NPS pollution index based on runoff travel times from saturated variable source areas (VSA) to the natural stream network as a means for including hydrologic connectivity between source areas and streams. Although this method could be generalized to any pollutant transported by storm runoff, here we focus on phosphorus and refer to the index as the travel-time phosphorus index (TTPI). The TTPI was applied to a 38 km2 agricultural watershed in central New York and shown to yield realistic, spatially explicit predictions of critical phosphorus loading areas and routing pathways. One interesting finding is the potential role of man-made drainage networks (e.g., road- or agricultural-ditches) in NPS pollution and the possibilities of targeting water quality protection practices around or within these networks. Because the technique is GIS-based, relatively simple to apply, uses readily available geospatial data, and the theoretical underpinnings are transparent, it can provide a useful screening tool for water resource managers charged with the identification and remediation of critical NPS pollution source areas.

  15. A phosphorus index that combines critical source areas and transport pathways using a travel time approach

    NASA Astrophysics Data System (ADS)

    Buchanan, Brian P.; Archibald, Josephine A.; Easton, Zachary M.; Shaw, Stephen B.; Schneider, Rebecca L.; Todd Walter, M.

    2013-04-01

    SummarySpatially distributed nonpoint source (NPS) pollution indices are used to identify areas in a watershed where potential pollutant loading coincides with runoff generating areas. However, most such indices either ignore the degree of hydrologic connectivity to the stream network or they estimate it based simply on the distance of the pollution generating area from an open channel. We propose an NPS pollution index based on runoff travel times from saturated variable source areas (VSAs) to the natural stream network as a means for including hydrologic connectivity between source areas and streams. Although this method could be generalized to any pollutant transported by storm runoff, here we focus on phosphorus and refer to the index as the travel-time phosphorus index (TTPI). The TTPI was applied to a 38 km2 agricultural watershed in central New York and shown to yield realistic, spatially explicit predictions of critical phosphorus loading areas and routing pathways. One interesting finding is the potential role of man-made drainage networks (e.g., road- or agricultural-ditches) in NPS pollution and the possibilities of targeting water quality protection practices around or within these networks. Because the technique is GIS-based, relatively simple to apply, uses readily available geospatial data, and the theoretical underpinnings are transparent, it can provide a useful screening tool for water resource managers charged with the identification and remediation of critical NPS pollution source areas.

  16. A novel approach to modelling water transport and drug diffusion through the stratum corneum

    PubMed Central

    2010-01-01

    Background The potential of using skin as an alternative path for systemically administering active drugs has attracted considerable interest, since the creation of novel drugs capable of diffusing through the skin would provide a great step towards easily applicable -and more humane- therapeutic solutions. However, for drugs to be able to diffuse, they necessarily have to cross a permeability barrier: the stratum corneum (SC), the uppermost set of skin layers. The precise mechanism by which drugs penetrate the skin is generally thought to be diffusion of molecules through this set of layers following a "tortuous pathway" around corneocytes, i.e. impermeable dead cells. Results In this work, we simulate water transport and drug diffusion using a three-dimensional porous media model. Our numerical simulations show that diffusion takes place through the SC regardless of the direction and magnitude of the fluid pressure gradient, while the magnitude of the concentrations calculated are consistent with experimental studies. Conclusions Our results support the possibility for designing arbitrary drugs capable of diffusing through the skin, the time-delivery of which is solely restricted by their diffusion and solubility properties. PMID:20716360

  17. Non-equilibrium STLS approach to transport properties of single impurity Anderson model

    NASA Astrophysics Data System (ADS)

    Rezai, Raheleh; Ebrahimi, Farshad

    2014-04-01

    In this work, using the non-equilibrium Keldysh formalism, we study the effects of the electron-electron interaction and the electron-spin correlation on the non-equilibrium Kondo effect and the transport properties of the symmetric single impurity Anderson model (SIAM) at zero temperature by generalizing the self-consistent method of Singwi, Tosi, Land, and Sjolander (STLS) for a single-band tight-binding model with Hubbard type interaction to out of equilibrium steady-states. We at first determine in a self-consistent manner the non-equilibrium spin correlation function, the effective Hubbard interaction, and the double-occupancy at the impurity site. Then, using the non-equilibrium STLS spin polarization function in the non-equilibrium formalism of the iterative perturbation theory (IPT) of Yosida and Yamada, and Horvatic and Zlatic, we compute the spectral density, the current-voltage characteristics and the differential conductance as functions of the applied bias and the strength of on-site Hubbard interaction. We compare our spectral densities at zero bias with the results of numerical renormalization group (NRG) and depict the effects of the electron-electron interaction and electron-spin correlation at the impurity site on the aforementioned properties by comparing our numerical result with the order U2 IPT. Finally, we show that the obtained numerical results on the differential conductance have a quadratic universal scaling behavior and the resulting Kondo temperature shows an exponential behavior.

  18. Occurrence, transport, and fate of trace elements, Blue River Basin, Summit County, Colorado: an integrated approach

    USGS Publications Warehouse

    Apodaca, L.E.; Driver, N.E.; Bails, J.B.

    2000-01-01

    Mining activities in the Blue River Basin, Summit County, Colorado, have affected the trace-element chemistry and biota along French Gulch and the Blue River. Elevated concentrations of As, Cd, Cu, Pb, and Zn were present in the bed and suspended sediments. Bed sediment trace-element concentrations were high in the streams in and near mining activities in the basin and remained high as water flowed into Dillon Reservoir about 3.5 km downstream. Bed-sediment (< 63 μm) data were useful in assessing the distribution of trace elements in the basin. Suspended-sediment measurements provided information as to the transport of the trace elements. Filtered (< 0.45 μm) water-column trace-element concentrations were orders of magnitude less than the sediment concentrations. Concentrations of Cd and Zn in the water column at some sites exceeded stream water-quality standards. Elevated trace-element concentrations in the sediment and water column are a source of contamination and must be considered in water-quality management of the Blue River Basin.

  19. Different modelling approaches to evaluate nitrogen transport and turnover at the watershed scale

    NASA Astrophysics Data System (ADS)

    Epelde, Ane Miren; Antiguedad, Iñaki; Brito, David; Jauch, Eduardo; Neves, Ramiro; Garneau, Cyril; Sauvage, Sabine; Sánchez-Pérez, José Miguel

    2016-08-01

    This study presents the simulation of hydrological processes and nutrient transport and turnover processes using two integrated numerical models: Soil and Water Assessment Tool (SWAT) (Arnold et al., 1998), an empirical and semi-distributed numerical model; and Modelo Hidrodinâmico (MOHID) (Neves, 1985), a physics-based and fully distributed numerical model. This work shows that both models reproduce satisfactorily water and nitrate exportation at the watershed scale at annual and daily basis, MOHID providing slightly better results. At the watershed scale, both SWAT and MOHID simulated similarly and satisfactorily the denitrification amount. However, as MOHID numerical model was the only one able to reproduce adequately the spatial variation of the soil hydrological conditions and water table level fluctuation, it proved to be the only model able of reproducing the spatial variation of the nutrient cycling processes that are dependent to the soil hydrological conditions such as the denitrification process. This evidences the strength of the fully distributed and physics-based models to simulate the spatial variability of nutrient cycling processes that are dependent to the hydrological conditions of the soils.

  20. Integrated Microbial Trait Based-Reactive Transport Modeling Approach Towards Understanding Microbial Reservoir Souring and Desouring

    NASA Astrophysics Data System (ADS)

    Li, L.; Cheng, Y.; Bouskill, N.; Hubbard, C. G.; Engelbrektson, A. L.; Coates, J. D.; Ajo Franklin, J. B.

    2014-12-01

    Microbially mediated sulfate reduction is the major metabolic process that leads to the production of hydrogen sulfide (H2S) in oil reservoirs. Biogenesis of H2S (souring) has detrimental impacts on oil production operations and can cause significant environmental and health problems. Understanding the processes that control the rates and patterns of sulfate reduction is a crucial step in developing a predictive understanding of reservoir souring and associated mitigation processes. In this study, we describe the development of a microbial trait-based model that is coupled to a reactive transport model. The model represents several anaerobic microbial functional guilds with different resource acquisition (e.g., electron donor, sulfate) traits. The integrated model was used to simulate the temporal and spatial evolution of the primary chemical species (e.g. sulfate, sulfide, nitrate, chlorate and perchlorate) and the microbial community dynamics involved in the souring and desouring processes as revealed in a recent laboratory column experiment comparing the effectiveness of nitrate, chlorate and perchlorate treatments as souring control strategies. Simulation of the laboratory experimental results shows that the model captured the spatio-temporal trend of the chemical species and microbial guilds during both souring and desouring. Model parameters derived through modeling of the column data are utilized in subsequent field-scale model simulations across a set of reservoir relevant environmental conditions. This integrated model demonstrates that interactions between SRBs and other heterotrophs can significantly impact the occurrence and extent of H2S production.

  1. From Sequential Extraction to Transport Modeling: Monitored Natural Attenuation as a Remediation Approach for Inorganic Contaminants

    SciTech Connect

    Crapse, Kimberly P.; Serkiz, Steven M.; Pishko, Adrian L.; Kaplan, Daniel L.; Lee, Cindy M.; Schank, Anja

    2005-08-18

    To quantify metal natural attenuation processes in terms of environmental availability, sequential extraction experiments were carried out on subsurface soil samples impacted by a low pH, high sulfate, metals (Be, Ni, U, As) plume associated with the long-term operation of a coal plant at the Savannah River Site in South Carolina. Despite significant heterogeneity resulting both from natural and anthropogenic factors, sequential extraction results demonstrate that pH is a controlling factor in the prediction of the distribution of metal contaminants within the solid phases in soils at the site as well as the contaminant partitioning between the soil and the soil solution. Results for beryllium, the most mobile metal evaluated, exhibit increasing attenuation along the plume flow path which corresponds to an increasing plume pH. These laboratory- and field-scale studies provide mechanistic information regarding partitioning of metals to soils at the site (one of the major attenuation mechanisms for the metals at the field site). Subsequently, these data have been used in the definition of the contaminant source terms and contaminant transport factors in risk modeling for the site.

  2. Systematic study of the elliptic flow parameter using a transport approach

    NASA Astrophysics Data System (ADS)

    Nasim, Md.; Mohanty, Bedangadas

    2015-04-01

    Elliptic flow parameter, v2 is considered as a sensitive probe for early dynamics of the heavy-ion collision. In this work, we have discussed the effect of detector efficiency, procedure of centrality determination, effect of resonance decay and the procedure to correct event plane resolution on the measured v2 by standard event plane method within the framework of a transport model. The measured value of v2 depends on the efficiency in particle number counting by the detector. The effect of centrality determination is found to be negligible. The new method of event plane resolution correction for wide centrality bin yields results in v2 values closer to the true value of the v2. The contributions from the resonance decay seems to decrease the value of v2 of π and K within the Ultra relativistic Quantum Molecular Dynamics (UrQMD) model based calculation. We also propose a procedure to correct for an event bias effect on v2 arising while comparing the minimum bias collision centrality v2 values for different multi-strange hadrons. Finally, we have presented a model based confirmation of the recently proposed relation between v2 obtained using event plane method and scalar product method to the true value of v2.

  3. Transport properties of liquid para-hydrogen: The path integral centroid molecular dynamics approach

    NASA Astrophysics Data System (ADS)

    Yonetani, Yoshiteru; Kinugawa, Kenichi

    2003-11-01

    Several fundamental transport properties of a quantum liquid para-hydrogen (p-H2) at 17 K have been numerically evaluated by means of the quantum dynamics simulation called the path integral centroid molecular dynamics (CMD). For comparison, classical molecular dynamics (MD) simulations have also been performed under the same condition. In accordance with the previous path integral simulations, the calculated static properties of the liquid agree well with the experimental results. For the diffusion coefficient, thermal conductivity, and shear viscosity, the CMD predicts the values closer to the experimental ones though the classical MD results are far from the reality. The agreement of the CMD result with the experimental one is especially good for the shear viscosity with the difference less than 5%. The calculated diffusion coefficient and the thermal conductivity agree with the experimental values at least in the same order. We predict that the ratio of bulk viscosity to shear viscosity for liquid p-H2 is much larger than classical van der Waals simple liquids such as rare gas liquids.

  4. Integrated modeling approach for fate and transport of submerged oil and oil-particle aggregates in a freshwater riverine environment

    USGS Publications Warehouse

    Fitzpatrick, Faith A.; Johnson, Rex; Zhu, Zhenduo; Waterman, David; McCulloch, Richard D.; Hayter, Earl; Garcia, Marcelo H.; Boufadel, Michel C.; Dekker, Timothy; Hassan, Jacob S.; Soong, David T.; Hoard, Christopher J.; Lee, Kenneth

    2016-01-01

    The Enbridge Line 6B pipeline release of diluted bitumen into the Kalamazoo River downstream of Marshall, Michigan, U.S.A., in July 2010 was one of the largest oil spills into freshwater in North American history. A portion of the oil interacted with river sediment and submerged requiring the development and implementation of new approaches for detection and recovery of oil mixed with river sediment. Hydrodynamic and sediment transport modeling became an integral part of containment and recovery operations for decision support about the potential fate and migration of submerged oil and oiled sediment. Three models were developed for the U.S. Environmental Protection Agency to cover a range of spatial scales of interest to onsite operations. Two-dimensional (2D) hydrodynamic and sediment transport models from the Environmental Fluid Dynamics Code and the sediment bed model SEDZLJ1 were used to simulate potential resuspension, migration, and deposition of submerged oil and oiled sediment along a 38-mile reach of the Kalamazoo River affected by the oil from Marshall to Kalamazoo. An algorithm was added to SEDZLJ to represent three additional particle size classes of oilparticle aggregates (OPAs) with a range of sizes, specific gravities, and settling velocities. Field and laboratory experiments and flume tests were done to support the numerical modeling of OPAs. A three-dimensional hydrodynamic model was developed to simulate hydrodynamics and OPA tracking through Morrow Lake, the most downstream impoundment. This model incorporated wind and dam operations into high and low flow, lake drawdown, and containment simulations. Finally, a 2D unstructured grid model, HydroSed2D, was used to simulate flows and sediment transport along 1- to 2-mile segments of the Kalamazoo River around islands and through side channels and backwater areas that are particularly prone to submerged oil deposition.Integrated models could be developed quickly due to the availability of

  5. A graded approach to flow and transport modeling to support decommissioning activities at the Savannah river site.

    PubMed

    Dixon, Kenneth L; Lee, Patricia L; Flach, Gregory P

    2008-05-01

    A graded approach to flow and transport modeling has been used as a cost effective solution to evaluating potential groundwater risk in support of Deactivation and Decommissioning activities at the United States Department of Energy's Savannah River Site (SRS) in Aiken, South Carolina. This approach balances modeling complexity with potential risk and has been successfully used at SRS to reduce costs and accelerate schedule without compromising human health or the environment. The approach incorporates both simple spreadsheet calculations (i.e., screening models) and complex numerical modeling to evaluate the threat to human health posed by contaminants leaching from decommissioned concrete building slabs. Simple spreadsheet calculations were used to produce generic slab concentration limits for a suite of radiological and non-radiological contaminants for a chemical separations area at SRS. These limits, which are based upon the United States Environmental Protection Agency Soil Screening Guidance, were used to eliminate most building slabs from further risk assessment, thereby limiting the time and associated cost of the more rigorous assessment to higher risk facilities. Of the more than 58 facilities located in the area, to date only one slab has been found to have a contaminant concentration in excess of the area specific slab limit. For this slab, a more rigorous numerical modeling effort was undertaken which eliminated some of the simplifying and conservative assumptions inherent in the spreadsheet calculations. Results from the more sophisticated numerical model show that the remaining contaminant of concern would not likely impact groundwater above drinking water standards.

  6. Restored glial glutamate transporter EAAT2 function as a potential therapeutic approach for Alzheimer’s disease

    PubMed Central

    Takahashi, Kou; Kong, Qiongman; Stouffer, Nathan; Schulte, Delanie A.; Lai, Liching; Liu, Qibing; Chang, Ling-Chu; Dominguez, Sky; Xing, Xuechao; Cuny, Gregory D.; Hodgetts, Kevin J.; Glicksman, Marcie A.

    2015-01-01

    Glutamatergic systems play a critical role in cognitive functions and are known to be defective in Alzheimer’s disease (AD) patients. Previous literature has indicated that glial glutamate transporter EAAT2 plays an essential role in cognitive functions and that loss of EAAT2 protein is a common phenomenon observed in AD patients and animal models. In the current study, we investigated whether restored EAAT2 protein and function could benefit cognitive functions and pathology in APPSw,Ind mice, an animal model of AD. A transgenic mouse approach via crossing EAAT2 transgenic mice with APPSw,Ind. mice and a pharmacological approach using a novel EAAT2 translational activator, LDN/OSU-0212320, were conducted. Findings from both approaches demonstrated that restored EAAT2 protein function significantly improved cognitive functions, restored synaptic integrity, and reduced amyloid plaques. Importantly, the observed benefits were sustained one month after compound treatment cessation, suggesting that EAAT2 is a potential disease modifier with therapeutic potential for AD. PMID:25711212

  7. Spatio-temporal analyses of sediment transport processes in an alpine catchment a scales oriented approach

    NASA Astrophysics Data System (ADS)

    Schober, S.; Habersack, H. M.

    2003-04-01

    Increasing morphological problems are being encountered with water courses in Austria, related to the impacts of sediment regime with lack and surplus of material. River bed degradation and aggradation are enhanced by human intervention. On a scaling perspective the boundary conditions and major processes in a catchment, like the geomorphological setting, are given by longterm developments. On the basis of field mapping these effects are discusssed with respect to sediment availability, being affected e. g. by deep-seated gravitational slope deformations and slope creeping. Within these longterm processes, short-term unsteady sediment supply, erosion, transfer, deposition and remobilisation processes determine catchment sedimentation and management. At the moment the analysis of sediment regime is restricted to specific scales. Measurements of sediment transport are performed at limited spatial scales of a few meters or even individual points. These measurements are often not typical for the whole vertical or the whole cross section. The temporal resolution allows mostly no detailed analysis of e.g. the hysteretic behaviour of a flood wave. Furthermore it is questionable whether these data are characteristic for a longer reach which consists of individual sub-reaches of degradation, aggregation or equilibrium conditions. Finally the catchment wide analysis of sediment regime is restricted by the information given at these smaller scales and it is sensitive to the representativeness of these data with respect to spatial and temporal significance. With the help of a River Scaling Concept we discuss different scales in the alpine catchment Sölk for developing and testing a scale oriented procedure to investigate the catchment wide sediment regime in a spatio-temporal frame. It is shown that this methodology improves the quality of results derived from geometrical properties for the subbasins and gives good ideas for the solution of morphological problems.

  8. Effect of biodiversity on shallow groundwater: Vertical chloride transport modeling approach

    NASA Astrophysics Data System (ADS)

    Tessema, S. G.

    2011-12-01

    Studies show that positive relationship between biomass production and species richness (plant diversity).Water is one of the most important requirements for biomass production, and different plant diversity (species/functional richness) also have different consumption pattern and this patterns are not much studied. During water stress (summer season in our case) water consumption efficiency and consumption pattern is important. Our objective is to study the upward flow pattern of water using chloride measurement in the soil profile of plots with different plant diversity during water stress. We assumed that chloride is easily mobile, conservative and only affected by advective transport of water.Our hypothesis is that, different plots with different diversity level accumulate chloride near the surface differently. We measured the soil water chloride concentration at 10, 20, 30 and 60cm depths in plots of diversity levels 0, 1, 2, 4, 8, 16 species and compared. We used evapotranspiration and precipitation to find out the time when the net flow is upward. Plots which contain some functional groups and more diverse species resulted in accumulation of chloride near the surface of the of the soil. Plots with legumes and tall herbs resulted in more chloride accumulation near the surface than plots with grasses and short herbs. We have also observed that plots with higher diversity tend to accumulate more chloride near the surface. We conclude from this that, plots with deep roots, and plots with combination of deep and shallow roots are capable of stress resistance as they can pull up water from the shallow groundwater. Plots without deep roots could not accumulate chloride even if they were more diversified.

  9. Thermoelectric transport properties of a T-coupled quantum dot: Atomic approach for the finite U case

    NASA Astrophysics Data System (ADS)

    Ramos, E.; Franco, R.; Silva-Valencia, J.; Figueira, M. S.

    2014-11-01

    We study thermoelectric transport properties through a gate defined T-coupled quantum dot, describing the system at base with the single impurity Anderson model (SIAM), whose corresponding Green's functions are calculated employing the finite correlation U atomic approach. We compute, with the linear approximation for the thermoelectric transport coefficients, the electrical and thermal conductance (G and K), the thermopower S, the product of the thermoelectric figure of merit and the temperature ZT, for all the regimes of the SIAM: empty quantum dot, intermediate valence, Kondo, and double occupation, at different temperatures; the treatment employed extends the results obtained for the limit of infinite U-Coulomb repulsion in the quantum dot, and has a many-body character, which is absent in Green's function descriptions that employ mean field approximations. Our main result connects the ZT behavior with the interplay between the thermopower and the violation of the Wiedemann-Franz relation; the results are in good agreement with other recent theoretical papers that employ the numerical renormalization group (NRG), different Green's function approximations, and some experimental reports.

  10. A full-Bayesian approach to the inverse problem for steady-state groundwater flow and heat transport

    NASA Astrophysics Data System (ADS)

    Jiang, Yefang; Woodbury, Allan D.

    2006-12-01

    The full (hierarchal) Bayesian approach proposed by Woodbury & Ulrych and Jiang et al. is extended to the inverse problem for 2-D steady-state groundwater flow and heat transport. A stochastic conceptual framework for the heat flow and groundwater flow is adopted. A perturbation of both the groundwater flow and the advection-conduction heat transport equations leads to a linear formulation between heads, temperature and logarithm transmissivity [denoted as ln (T)]. A Bayesian updating procedure similar to that of Woodbury & Ulrych can then be performed. This new algorithm is examined against a generic example through simulations. The prior mean, variance and integral scales of ln (T) (hyperparameters) are treated as random variables and their pdfs are determined from maximum entropy considerations. It is also assumed that the statistical properties of the noise in the hydraulic head and temperature measurements are also uncertain. Uncertainties in all pertinent hyperparameters are removed by marginalization. It is found that the use of temperature measurements is showed to further improve the ln (T) estimates for the test case in comparison to the updated ln (T) field conditioned on ln (T) and head data; the addition of temperature data without hydraulic head data to the update also aids refinement of the ln (T) field compared to simply interpolating ln (T) data alone these results suggest that temperature measurements are a promising data source for site characterization for heterogeneous aquifer, which can be accomplished through the full-Bayesian methodology.

  11. Comprehensive computational model for combining fluid hydrodynamics, light transport and biomass growth in a Taylor vortex algal photobioreactor: Lagrangian approach.

    PubMed

    Gao, Xi; Kong, Bo; Vigil, R Dennis

    2017-01-01

    A comprehensive quantitative model incorporating the effects of fluid flow patterns, light distribution, and algal growth kinetics on biomass growth rate is developed in order to predict the performance of a Taylor vortex algal photobioreactor for culturing Chlorella vulgaris. A commonly used Lagrangian strategy for coupling the various factors influencing algal growth was employed whereby results from computational fluid dynamics and radiation transport simulations were used to compute numerous microorganism light exposure histories, and this information in turn was used to estimate the global biomass specific growth rate. The simulations provide good quantitative agreement with experimental data and correctly predict the trend in reactor performance as a key reactor operating parameter is varied (inner cylinder rotation speed). However, biomass growth curves are consistently over-predicted and potential causes for these over-predictions and drawbacks of the Lagrangian approach are addressed.

  12. A new application for analyzing driving behaviour and environment characterization in transportation systems based on a fuzzy logic approach

    NASA Astrophysics Data System (ADS)

    Fazio, Peppino; Santamaria, Amilcare Francesco; De Rango, Floriano; Tropea, Mauro; Serianni, Abdon

    2016-05-01

    In the last years the physical security in transportation systems is becoming a critical issue due to the high number of accidents and emergency situations. With the increasing availability of technological applications in vehicular environments researchers aimed at minimizing the probability of road accidents. In this paper, we propose a new platform able to discover dangerous driving behaviors. We based our application on the on-board diagnosis standard, able to provide all the needed information directly from the electronic vehicle control unit . We integrated the received data with a fuzzy logic approach, obtaining a description of the driver behavior. The overall system can take several initiatives (alarms, rpm corrections, etc.), in order to notify the driver bad behavior. The performance of the proposed scheme has been validated through a deep campaign of driving simulations.

  13. Confinement time of electron plasma approaching magnetic pumping transport limit in small aspect ratio C-shaped torus

    NASA Astrophysics Data System (ADS)

    Lachhvani, Lavkesh; Pahari, Sambaran; Goswami, Rajiv; Bajpai, Manu; Yeole, Yogesh; Chattopadhyay, P. K.

    2016-06-01

    A long confinement time of electron plasma, approaching magnetic pumping transport limit, has been observed in SMARTEX-C (a small aspect ratio partial torus with R o / a ˜ 1.59 ). Investigations of the growth rate reveal that they are governed by instabilities like resistive wall destabilization, ion driven instabilities, and electron-neutral collisions. Successful confinement of electron plasmas exceeding > 1 × 10 5 poloidal E → × B → rotations lasting for nearly 2.1 ± 0.1 s is achieved by suppressing these instabilities. The confinement time has been estimated in two ways: (a) from the frequency scaling of the linear diocotron mode launched from sections of the wall that are also used as capacitive probes and (b) by dumping the plasma onto a charge collector at different hold times.

  14. Numerical approach to time-dependent quantum transport and dynamical Kondo transition.

    PubMed

    Zheng, Xiao; Jin, Jinshuang; Welack, Sven; Luo, Meng; Yan, YiJing

    2009-04-28

    An accurate and efficient numerical approach is developed for the transient electronic dynamics of open quantum systems at low temperatures. The calculations are based on a formally exact hierarchical equations of motion quantum dissipation theory [J. S. Jin et al., J. Chem. Phys. 128, 234703 (2008)]. We propose a hybrid scheme that combines the Matsubara expansion technique and a frequency dispersion treatment to account for reservoir correlation functions. The new scheme not just admits various forms of reservoir spectral functions but also greatly reduces the computational cost of the resulting hierarchical equations, especially in the low temperature regime. Dynamical Kondo effects are obtained and the cotunneling induced Kondo transitions are resolved in the transient current in response to time-dependent external voltages.

  15. Multilevel decomposition approach to the preliminary sizing of a transport aircraft wing

    NASA Technical Reports Server (NTRS)

    Wrenn, Gregory A.; Dovi, Augustine R.

    1990-01-01

    A multilevel/multidisciplinary optimization scheme for sizing an aircraft wing structure is described. A methodology using nonlinear programming in application to a very large engineering problem is presented. This capability is due to the decomposition approach. Over 1300 design variables are considered for this nonlinear optimization task. In addition, a mathematical link is established coupling the detail of structural sizing to the overall system performance objective, such as fuel consumption. The scheme is implemented as a three level system analyzing aircraft mission performance at the top level, the total aircraft structure as the middle level, and individual stiffened wing skin cover panels at the bottom level. Numerical show effectiveness of the method and its good convergence characteristics.

  16. A modeling approach for agricultural water management in citrus orchards: cost-effective irrigation scheduling and agrochemical transport simulation.

    PubMed

    Kourgialas, Nektarios N; Karatzas, George P

    2015-07-01

    The water flow and the mass transport of agrochemicals in the unsaturated and saturated zone were simulated in the extended alluvial basin of Keritis river in Crete, Greece (a predominantly flat and most productive citrus growing area) using the hydrological model MIKE SHE. This model was set up based on information on land use, geology, soil structure, meteorological data, as well as groundwater level data from pumping wells. Additionally, field measurements of the soil moisture at six different locations from three soil depths (0.1, 0.2, and 0.3 m) were used as targets to calibrate and validate the unsaturated flow model while for saturated condition, groundwater level data from three well locations were used. Following the modeling approach, the agrochemical mass transport simulation was performed as well, based on different application doses. After the successful calibration processes, the obtained 1D modeling results of soil moisture-pressure related to soil depth at different locations were used to design a proper and cost-effective irrigation programme (irrigation timing, frequency, application rates, etc.) for citrus orchards. The results of the present simulation showed a very good correlation with the field measurements. Based on these results, a proper irrigation plan can be designed at every site of the model domain reducing the water consumption up to 38% with respect to the common irrigation practices and ensuring the citrus water productivity. In addition, the effect of the proposed irrigation scheduling on citrus yield was investigated. Regarding the agrochemical concentration in the groundwater for all dose cases was below the maximum permissible limit. The only exception was for the highest dose in areas where the water table is high. Thus, this modeling approach could be used as a tool for appropriate water management in an agricultural area estimating at each time and location the availability of soil water, contributing to a cost

  17. Comparison of approaches for simulating reactive solute transport involving organic degradation reactions by multiple terminal electron acceptors

    USGS Publications Warehouse

    Curtis, Gary P.

    2003-01-01

    Reactive solute transport models are useful tools for analyzing complex geochemical behavior resulting from biodegradation of organic compounds by multiple terminal electron acceptors (TEAPs). The usual approach of simulating the reactions of multiple TEAPs by an irreversible Monod rate law was compared with simulations that assumed a partial local equilibrium or kinetically controlled reactions subject to the requirement that the Gibbs free energy of reaction (Δ G) was either less than zero or less than a threshold value. Simulations were performed using a single organic substrate and O2, FeOOH, SO4-2 and CO2 as the terminal electron acceptors. It was assumed that the organic substrate was slowly and completely fermented to CO2 and H2 and the H2 was oxidized by the TEAPs. Simulations using the Monod approach showed that this irreversible rate law forced the reduction of both FeOOH and CO2 to proceed even when Δ G was positive. This resulted in an over prediction in amount of FeOOH reduced to Fe(II) in parts of the domain and it resulted in large errors in pH. Simulations using mass action kinetics agreed with equilibrium simulations for the case of large rate constants. The extent of reductive dissolution of FeOOH was strongly dependent on the thermodynamic stability of the FeOOH phase. Transport simulations performed assuming that the reactions of the TEAPs stopped when Δ G exceeded a threshold value showed that only simulated H2 concentrations were affected if the threshold value was the same for each TEAP. Simulated H2 concentrations were controlled by the fastest reaction of the TEAP, but it was common for reactions to occur concomitantly rather than sequentially.

  18. Sediment and pollutant transport in the Northern Gulf of Cadiz: A multi-proxy approach

    NASA Astrophysics Data System (ADS)

    Gonzalez, R.; Araújo, M. F.; Burdloff, D.; Cachão, M.; Cascalho, J.; Corredeira, C.; Dias, J. M. A.; Fradique, C.; Ferreira, J.; Gomes, C.; Machado, A.; Mendes, I.; Rocha, F.

    2007-11-01

    This paper presents a multi-proxy study of sediment samples from the area of the northern Gulf of Cadiz Shelf (SW Iberia) influenced by the Guadiana River. 471 surface sediment samples from the northern gulf of Cadiz Shelf from January 1999 to November 2003 are analysed for grain size variations and composition, including a series of samples retrieved from the same key locations before, during, and after an important flood event in February 2001. Samples from the shelf and coast around the Guadiana estuarine mouth and the inside of the estuary are analysed for heavy mineral composition. Additionally, 26 samples recovered in November 2001 along three transects are analysed for mineralogy, elemental composition, heavy metals, OC, TN, and nannoplankton. The datasets cover mostly fair weather, low precipitation periods, with the exception of the February 2001 survey, which followed an unusually rainy winter and occurred during large-scale flooding in the Guadiana basin with water discharge levels of up to 3000 m 3/s. The results show, based on calculations from variations in sedimentary components that the bulk of bedload stemming from the Guadiana Estuary is deposited within the 15 m bathymetric line. An estimated 2-2.5 × 10 6 tons (or 7.5-9.5 × 10 5 m 3) of sand were exported during the winter 2000/2001 from the Guadiana Estuary onto the inner shelf. Simultaneously, fines were resuspended on the inner shelf, and re-deposited at the upper margin of the middle shelf. Sediments are predominantly transported eastwards by the littoral drift, although results also show a weaker westward component. This is true for the coastline, as well as the upper inner shelf, as shown by the distribution of heavy mineral associations, as the Guadiana has a very characteristic translucent heavy mineral signature, composed mainly by amphiboles and pyroxenes. Samples retrieved half a year after the February 2001 flood indicate a pollutant export from the Guadiana River basin onto the

  19. Optimized Field Sampling and Monitoring of Airborne Hazardous Transport Plumes; A Geostatistical Simulation Approach

    SciTech Connect

    Chen, DI-WEN

    2001-11-21

    Airborne hazardous plumes inadvertently released during nuclear/chemical/biological incidents are mostly of unknown composition and concentration until measurements are taken of post-accident ground concentrations from plume-ground deposition of constituents. Unfortunately, measurements often are days post-incident and rely on hazardous manned air-vehicle measurements. Before this happens, computational plume migration models are the only source of information on the plume characteristics, constituents, concentrations, directions of travel, ground deposition, etc. A mobile ''lighter than air'' (LTA) system is being developed at Oak Ridge National Laboratory that will be part of the first response in emergency conditions. These interactive and remote unmanned air vehicles will carry light-weight detectors and weather instrumentation to measure the conditions during and after plume release. This requires a cooperative computationally organized, GPS-controlled set of LTA's that self-coordinate around the objectives in an emergency situation in restricted time frames. A critical step before an optimum and cost-effective field sampling and monitoring program proceeds is the collection of data that provides statistically significant information, collected in a reliable and expeditious manner. Efficient aerial arrangements of the detectors taking the data (for active airborne release conditions) are necessary for plume identification, computational 3-dimensional reconstruction, and source distribution functions. This report describes the application of stochastic or geostatistical simulations to delineate the plume for guiding subsequent sampling and monitoring designs. A case study is presented of building digital plume images, based on existing ''hard'' experimental data and ''soft'' preliminary transport modeling results of Prairie Grass Trials Site. Markov Bayes Simulation, a coupled Bayesian/geostatistical methodology, quantitatively combines soft information

  20. Prediction of Groundwater Flow and Transport Processes in an Urban Area: A Combined Approach of Field Testing and Numerical Modeling

    NASA Astrophysics Data System (ADS)

    Popp, Andrea; Moeck, Christian; Radny, Dirk; Borer, Paul; Affolter, Annette; Epting, Jannis; Huggenberger, Peter; Auckenthaler, Adrian; Schirmer, Mario

    2015-04-01

    Drinking water supply in urban areas is challenging due to different kinds of water use and potential groundwater contamination. We investigate an area where drinking water production is close to different contaminated sites. The study site is characterized by a high complexity of the tectonic and geological setting with a gravel and a karstic aquifer. The two aquifers are partly connected, partly disconnected by an aquitard. To avoid drinking water contamination, artificial groundwater recharge with surface water into the gravel aquifer is used to create a hydraulic barrier between the contaminated sites and the water abstraction wells. Trace compounds, that were found in former times in the surface water but not nowadays, are still detected in the extracted drinking water. Different studies have been performed such as numerical modeling, intensive groundwater monitoring and investigation of drilling cores to get a differentiated overview of the distribution of the contaminants. Back-diffusion from the matrix due to changing hydraulic boundary was stated to be the reason for the actual distribution of the contaminants. In a first approach due to the lack of experimental data or evidence from field measurements, the permeabilities of the karstic aquifer were assumed as homogeneous. In our study, we seek to identify the flow and transport processes within the system including the fracture network in a combined approach of field work and 3D modeling with FEFLOW. During a field campaign we acquired water samples for the analysis of stable water isotopes as well as organic and inorganic compounds. Furthermore, tritium and helium samples were taken to estimate water ages and to determine the flow through the fracture networks. A combination of existing and recently obtained data was used to build and validate a 3D flow and transport model. The simulation of different scenarios such as the water flow for varying injection and extraction rates as well as particle

  1. Spin treatment-based approach for electronic transport in paramagnetic liquid transition metals

    NASA Astrophysics Data System (ADS)

    Grosdidier, B.; Ben Abdellah, A.; Bouziane, K.; Mujibur Rahman, S. M.; Gasser, J. G.

    2013-09-01

    A novel concept is proposed to calculate both the electrical resistivity and thermoelectric power (TEP) of liquid transition metals (Mn, Fe, Co and Ni) characterized by a paramagnetic state in the liquid phase. By contrast to a previous work (PRB64, 094202 (2001)), where the resistivity was calculated by treating separately the interactions between spin up and spin down using the Matthiessen rule, our current approach is based on two types of muffin tin potentials in the t-matrix, namely spin up and spin down. The resistivity is treated as the result of the interference of the two kinds of spin states of electrons including a cross-contribution. The calculated resistivity values agree reasonably well with the available experimental ones for all the metals considered. Moreover, the calculated TEP, as deduced from the slope of resistivity vs. energy, has been found to be positive for Mn and Fe but negative for Co and Ni. Besides that, this formalism for resistivity calculation may be generalized to a system that may exist in different atomic states. It is worth mentioning that this concept is analogous to the one used in the process of neutron scattering on a metal composed of multiple isotopes.

  2. Numerical evaluation of the bispectrum in multiple field inflation—the transport approach with code

    NASA Astrophysics Data System (ADS)

    Dias, Mafalda; Frazer, Jonathan; Mulryne, David J.; Seery, David

    2016-12-01

    We present a complete framework for numerical calculation of the power spectrum and bispectrum in canonical inflation with an arbitrary number of light or heavy fields. Our method includes all relevant effects at tree-level in the loop expansion, including (i) interference between growing and decaying modes near horizon exit; (ii) correlation and coupling between species near horizon exit and on superhorizon scales; (iii) contributions from mass terms; and (iv) all contributions from coupling to gravity. We track the evolution of each correlation function from the vacuum state through horizon exit and the superhorizon regime, with no need to match quantum and classical parts of the calculation; when integrated, our approach corresponds exactly with the tree-level Schwinger or `in-in' formulation of quantum field theory. In this paper we give the equations necessary to evolve all two- and three-point correlation functions together with suitable initial conditions. The final formalism is suitable to compute the amplitude, shape, and scale dependence of the bispectrum in models with |fNL| of order unity or less, which are a target for future galaxy surveys such as Euclid, DESI and LSST. As an illustration we apply our framework to a number of examples, obtaining quantitatively accurate predictions for their bispectra for the first time. Two accompanying reports describe publicly-available software packages that implement the method.

  3. An Algorithm for Interactive Modeling of Space-Transportation Engine Simulations: A Constraint Satisfaction Approach

    NASA Technical Reports Server (NTRS)

    Mitra, Debasis; Thomas, Ajai; Hemminger, Joseph; Sakowski, Barbara

    2001-01-01

    In this research we have developed an algorithm for the purpose of constraint processing by utilizing relational algebraic operators. Van Beek and others have investigated in the past this type of constraint processing from within a relational algebraic framework, producing some unique results. Apart from providing new theoretical angles, this approach also gives the opportunity to use the existing efficient implementations of relational database management systems as the underlying data structures for any relevant algorithm. Our algorithm here enhances that framework. The algorithm is quite general in its current form. Weak heuristics (like forward checking) developed within the Constraint-satisfaction problem (CSP) area could be also plugged easily within this algorithm for further enhancements of efficiency. The algorithm as developed here is targeted toward a component-oriented modeling problem that we are currently working on, namely, the problem of interactive modeling for batch-simulation of engineering systems (IMBSES). However, it could be adopted for many other CSP problems as well. The research addresses the algorithm and many aspects of the problem IMBSES that we are currently handling.

  4. An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

    NASA Astrophysics Data System (ADS)

    Borges, A.; Solomon, G. C.

    2016-05-01

    Single molecule conductance measurements are often interpreted through computational modeling, but the complexity of these calculations makes it difficult to directly link them to simpler concepts and models. Previous work has attempted to make this connection using maximally localized Wannier functions and symmetry adapted basis sets, but their use can be ambiguous and non-trivial. Starting from a Hamiltonian and overlap matrix written in a hydrogen-like basis set, we demonstrate a simple approach to obtain a new basis set that is chemically more intuitive and allows interpretation in terms of simple concepts and models. By diagonalizing the Hamiltonians corresponding to each atom in the molecule, we obtain a basis set that can be partitioned into pseudo-σ and -π and allows partitioning of the Landuaer-Büttiker transmission as well as create simple Hückel models that reproduce the key features of the full calculation. This method provides a link between complex calculations and simple concepts and models to provide intuition or extract parameters for more complex model systems.

  5. Constructal approach to cell membranes transport: Amending the ‘Norton-Simon’ hypothesis for cancer treatment

    PubMed Central

    Lucia, Umberto; Ponzetto, Antonio; Deisboeck, Thomas S.

    2016-01-01

    To investigate biosystems, we propose a new thermodynamic concept that analyses ion, mass and energy flows across the cell membrane. This paradigm-shifting approach has a wide applicability to medically relevant topics including advancing cancer treatment. To support this claim, we revisit ‘Norton-Simon’ and evolving it from an already important anti-cancer hypothesis to a thermodynamic theorem in medicine. We confirm that an increase in proliferation and a reduction in apoptosis trigger a maximum of ATP consumption by the tumor cell. Moreover, we find that positive, membrane-crossing ions lead to a decrease in the energy used by the tumor, supporting the notion of their growth inhibitory effect while negative ions apparently increase the cancer’s consumption of energy hence reflecting a growth promoting impact. Our results not only represent a thermodynamic proof of the original Norton-Simon hypothesis but, more concretely, they also advance the clinically intriguing and experimentally testable, diagnostic hypothesis that observing an increase in negative ions inside a cell in vitro, and inside a diseased tissue in vivo, may indicate growth or recurrence of a tumor. We conclude with providing theoretical evidence that applying electromagnetic field therapy early on in the treatment cycle may maximize its anti-cancer efficacy. PMID:26822208

  6. A temperature-dependent Hartree approach for excess proton transport in hydrogen-bonded chains

    NASA Astrophysics Data System (ADS)

    Cukier, R. I.

    2004-10-01

    We develop a temperature-dependent Hartree (TeDH) approach to solving the N-dimensional Schrödinger equation, based on the time-dependent Hartree (TDH) approximation. The goal is to describe the dynamics of protonated hydrogen-bonded water chains in condensed phases, where the medium fluctuations drive the proton transfer. An adiabatic simulation method (ASM) that couples the TeDH wavefunction to classical molecular dynamics (MD) propagation is used to obtain the real-time dynamics of the quantum protons that interact with the nuclear degrees of freedom. Iteration of the TeDH-ASM provides a trajectory from which the quantum dynamics of the protonated chains can be obtained. The method is applied to proton transfer in cytochrome c oxidase (CcO), which has a glutamate residue whose carboxylate may become protonated, as part of the mechanism of proton translocation. By using MD, we find that this glutamate can be hydrogen bonded to two water molecules in a cyclic structure. Application of the TeDH-ASM shows that a proton can transfer from one of the hydrogen-bonded waters to protonate this glutamate.

  7. Constructal approach to cell membranes transport: Amending the ‘Norton-Simon’ hypothesis for cancer treatment

    NASA Astrophysics Data System (ADS)

    Lucia, Umberto; Ponzetto, Antonio; Deisboeck, Thomas S.

    2016-01-01

    To investigate biosystems, we propose a new thermodynamic concept that analyses ion, mass and energy flows across the cell membrane. This paradigm-shifting approach has a wide applicability to medically relevant topics including advancing cancer treatment. To support this claim, we revisit ‘Norton-Simon’ and evolving it from an already important anti-cancer hypothesis to a thermodynamic theorem in medicine. We confirm that an increase in proliferation and a reduction in apoptosis trigger a maximum of ATP consumption by the tumor cell. Moreover, we find that positive, membrane-crossing ions lead to a decrease in the energy used by the tumor, supporting the notion of their growth inhibitory effect while negative ions apparently increase the cancer’s consumption of energy hence reflecting a growth promoting impact. Our results not only represent a thermodynamic proof of the original Norton-Simon hypothesis but, more concretely, they also advance the clinically intriguing and experimentally testable, diagnostic hypothesis that observing an increase in negative ions inside a cell in vitro, and inside a diseased tissue in vivo, may indicate growth or recurrence of a tumor. We conclude with providing theoretical evidence that applying electromagnetic field therapy early on in the treatment cycle may maximize its anti-cancer efficacy.

  8. Charge transport calculations by a wave-packet dynamical approach using maximally localized Wannier functions based on density functional theory: Application to high-mobility organic semiconductors

    NASA Astrophysics Data System (ADS)

    Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

    2017-01-01

    We present a wave-packet dynamical approach to charge transport using maximally localized Wannier functions based on density functional theory including van der Waals interactions. We apply it to the transport properties of pentacene and rubrene single crystals and show the temperature-dependent natures from bandlike to thermally activated behaviors as a function of the magnitude of external static disorder. We compare the results with those obtained by the conventional band and hopping models and experiments.

  9. A novel approach for determination of fundamental physical transport processes in natural channel design restoration sites with river steering structures

    NASA Astrophysics Data System (ADS)

    Robinson, J.; Endreny, T. A.; Becker, J. F.; Kroll, C.

    2012-12-01

    inverse modeling techniques, a hybrid of forward and inverse modeling techniques, and temporal moment analysis. Results reveal strong hydrologic retention within steering structures owing to large volumetric storage, dispersion, and surface transient storage zones. This technique represents the development of a unique measurement approach for use in streams with complex geomorphology and hydraulics, as advocated by researchers in the field of transport modeling. Figure 1. Illustration of approach to defining a mass flux signature at control cross sections above, within and below a river steering structure.

  10. Use of ADCPs for suspended sediment transport monitoring: An empirical approach

    NASA Astrophysics Data System (ADS)

    Venditti, J. G.; Church, M.; Attard, M. E.; Haught, D.

    2016-04-01

    A horizontally mounted 300 kHz acoustic Doppler current profiler was deployed in Fraser River at Mission, British Columbia, to test its capability to detect size-classified concentration of suspended sediment. Bottle samples in-beam provide a direct calibration of the hADCP signals. We also deployed a 600 kHz vertically mounted ADCP from a boat in combination with bottle samples. Fraser River at Mission is 525 m wide with moderate suspended sediment concentration (up to 350 mg L-1 in our measurements, mostly silt), and a modest sand load only at high flows. We use an entirely empirical approach to calculate the sediment load using ADCPs to test the reliability of acoustic methods when assumptions embedded in the sonar equation about the relation between suspended sediment size and concentration, and acoustic signals are violated. vADCP calibration using matched individual bottle samples and acoustic backscatter departed from the expected theoretical relation. Calibration using depth-averaged sediment concentration and acoustic backscatter more closely matched theoretical expectations, but varied through the season. hADCP calibrations conformed with theoretical expectations and did not exhibit seasonal variation. Silt and sand were successfully discriminated; however, silt dominates the correlations. We found no coherent relation between acoustic attenuation and silt concentration. In-beam results are extended by correlation to estimate mean sediment concentration and total suspended flux in the entire channel: this auxiliary correlation cancels any calibration bias and permits monitoring of size-classified suspended sediment in absence of detailed information of sediment grain-size distribution.

  11. Global-scale quantification of mineralization pathways in marine sediments: A reaction-transport modeling approach

    NASA Astrophysics Data System (ADS)

    Thullner, Martin; Dale, Andrew W.; Regnier, Pierre

    2009-10-01

    The global-scale quantification of organic carbon (Corg) degradation pathways in marine sediments is difficult to achieve experimentally due to the limited availability of field data. In the present study, a numerical modeling approach is used as an alternative to quantify the major metabolic pathways of Corg oxidation (Cox) and associated fluxes of redox-sensitive species fluxes along a global ocean hypsometry, using the seafloor depth (SFD) as the master variable. The SFD dependency of the model parameters and forcing functions is extracted from existing empirical relationships or from the NOAA World Ocean Atlas. Results are in general agreement with estimates from the literature showing that the relative contribution of aerobic respiration to Cox increases from <10% at shallow SFD to >80% in deep-sea sediments. Sulfate reduction essentially follows an inversed SFD dependency, the other metabolic pathways (denitrification, Mn and Fe reduction) only adding minor contributions to the global-scale mineralization of Corg. The hypsometric analysis allows the establishment of relationships between the individual terminal electron acceptor (TEA) fluxes across the sediment-water interface and their respective contributions to the Corg decomposition process. On a global average, simulation results indicate that sulfate reduction is the dominant metabolic pathway and accounts for approximately 76% of the total Cox, which is higher than reported so far by other authors. The results also demonstrate the importance of bioirrigation for the assessment of global species fluxes. Especially at shallow SFD most of the TEAs enter the sediments via bioirrigation, which complicates the use of concentration profiles for the determination of total TEA fluxes by molecular diffusion. Furthermore, bioirrigation accounts for major losses of reduced species from the sediment to the water column prohibiting their reoxidation inside the sediment. As a result, the total carbon mineralization

  12. Modeling aeolian sediment transport thresholds on physically rough Martian surfaces: A shear stress partitioning approach

    NASA Astrophysics Data System (ADS)

    Gillies, John A.; Nickling, William G.; King, James; Lancaster, Nicholas

    2010-09-01

    This paper explores the effect that large roughness elements (0.30 m × 0.26 m × 0.36 m) may have on entrainment of sediment by Martian winds using a shear stress partitioning approach based on a model developed by Raupach et al. (Raupach, M.R., Gillette, D.A., Leys, J.F., 1993. The effect of roughness elements on wind erosion threshold. Journal of Geophysical Research 98(D2), 3023-3029). This model predicts the shear stress partitioning ratio defined as the percent reduction in shear stress on the intervening surface between the roughness elements as compared to the surface in the absence of those elements. This ratio is based on knowledge of the geometric properties of the roughness elements, the characteristic drag coefficients of the elements and the surface, and the assumed effect these elements have on the spatial distribution of the mean and maximum shear stresses. On Mars, unlike on Earth, the shear stress partitioning caused by roughness can be non-linear in that the drag coefficients for the surface as well as for the roughness itself show Reynolds number dependencies for the reported range of Martian wind speeds. The shear stress partitioning model of Raupach et al. is used to evaluate how conditions of the Martian atmosphere will affect the threshold shear stress ratio for Martian surfaces over a range of values of roughness density. Using, as an example, a 125 µm diameter particle with an estimated threshold shear stress on Mars of ≈ 0.06 N m - 2 (shear velocity, u* ≈ 2 m s - 1 on a smooth surface), we evaluate the effect of roughness density on the threshold shear stress ratio for this diameter particle. In general, on Mars higher regional shear stresses are required to initiate particle entrainment for surfaces that have the same physical roughness as defined by the roughness density term ( λ) compared with terrestrial surfaces mainly because of the low Martian atmospheric density.

  13. Directed flow in relativistic heavy-ion collisions within the PHSD transport approach and 3FD hydrodynamical model

    NASA Astrophysics Data System (ADS)

    Konchakovski, V. P.; Cassing, W.; Ivanov, Y. B.; Toneev, V. D.

    2015-05-01

    We analyze recent STAR data for the directed flow of protons, antiprotons and charged pions obtained within the beam energy scan program within the Parton-Hadron-String- Dynamics (PHSD) transport model and the 3-Fluid hydroDynamics (3FD) approach. We clarify the role of partonic degrees of freedom in the kinetic PHSD approach. The PHSD results, simulating a partonic phase and its coexistence with a hadronic one, are roughly consistent with data. The hydrodynamic results are obtained for two EoS, a pure hadronic EoS and an EoS with a crossover type transition. The latter case is favored by the STAR experimental data. Special attention is paid to the description of antiproton directed flow based on the balance of pp\\bar annihilation and the inverse processes for Np\\bar pair creation from multi-meson interactions. Generally, a semi-qualitative agreement between the measured data and model results supports the idea of a crossover type quark-hadron transition which softens the nuclear EoS.

  14. A Lumped, Macroscopic Approach to Modeling Soil Moisture, CO2 Transport, and Chemical Weathering in the Critical Zone

    NASA Astrophysics Data System (ADS)

    Porporato, A. M.; Parolari, A.

    2015-12-01

    Ecohydrological processes in the root zone act as a dynamic interface between the atmosphere and the deeper soil layers, modulating the conditions that drive chemical weathering along the soil profile. Among these processes, soil moisture dynamics respond to intermittent rainfall pulses and to runoff and evapotranspiration losses. In addition, carbon dioxide (CO2) and its associated acidity are introduced into the soil moisture via root and microbial respiration. The coupling of soil moisture and CO2 dynamics in the root zone acts as an important controller of the critical zone development through the chemical weathering and water chemistry exported through runoff and percolation. Due to spatial and temporal variability and non-linearity, modeling these coupled root zone soil moisture and CO2 dynamics presents a number of challenges. In this talk, a lumped, macroscopic approach to modeling soil moisture, CO2 transport, and chemical weathering in the critical zone is introduced. The model considers a homogeneous soil column, therefore simplifying known spatial heterogeneities, and focuses on temporal variability resulting from non-linear processes and stochastic rainfall forcing. First, at short time-scales, the deterministic temporal evolution of soil moisture, dissolved inorganic carbon, pH, and alkalinity is analyzed using a dynamical system approach. Second, at longer inter-annual time-scales where rainfall stochasticity becomes an important driver of the system behavior, the system is analyzed probabilistically and its average behavior described using a novel macroscopic approach. This averaging of the nonlinear stochastic dynamics results in a closure problem that is addressed through a first-order approximation of non-linear fluxes, including the correlation between soil moisture and solutes. The model provides a method to assess how changes in external forcing or system properties propagate into and alter critical zone structure and function, and to isolate

  15. Enabling two-phase microfluidic thermal transport systems using a novel thermal-flux degassing and fluid charging approach

    NASA Astrophysics Data System (ADS)

    Singh Dhillon, Navdeep; Pisano, Albert P.

    2014-03-01

    A novel two-port thermal-flux method has been proposed and demonstrated for degassing and charging two-phase microfluidic thermal transport systems with a degassed working fluid. In microscale heat pipes and loop heat pipes (mLHPs), small device volumes and large capillary forces associated with smaller feature sizes render conventional vacuum pump-based degassing methods quite impractical. Instead, we employ a thermally generated pressure differential to purge non-condensable gases from these devices before charging them with a degassed working fluid in a two-step process. Based on the results of preliminary experiments studying the effectiveness and reliability of three different high temperature-compatible device packaging approaches, an optimized compression packaging technique was developed to degas and charge a mLHP device using the thermal-flux method. An induction heating-based noninvasive hermetic sealing approach for permanently sealing the degassed and charged mLHP devices has also been proposed. To demonstrate the efficacy of this approach, induction heating experiments were performed to noninvasively seal 1 mm square silicon fill-hole samples with donut-shaped solder preforms. The results show that the minimum hole sealing induction heating time is heat flux limited and can be estimated using a lumped capacitance thermal model. However, further continued heating of the solder uncovers the hole due to surface tension-induced contact line dynamics of the molten solder. It was found that an optimum mass of the solder preform is required to ensure a wide enough induction-heating time window for successful sealing of a fill-hole.

  16. Impact of cremophor-EL and polysorbate-80 on digoxin permeability across rat jejunum: delineation of thermodynamic and transporter related events using the reciprocal permeability approach.

    PubMed

    Katneni, Kasiram; Charman, Susan A; Porter, Christopher J H

    2007-02-01

    The effect of Cremophor-EL (Cr-EL) and polysorbate-80 (PS-80) on the transepithelial permeability of digoxin (DIG) has been evaluated using the reciprocal permeability approach to delineate thermodynamic and transporter related events. Permeability data were corrected for solubilization using the micellar association constant (Ka) obtained from Papp data generated in the presence of the nonspecific ATPase inhibitor sodium orthovanadate. In the presence of mucosal Cr-EL, a concentration dependent decrease in serosal-mucosal (S-M) and increase in M-S transport was observed. Whilst serosal Cr-EL resulted in a reduction in S-M DIG transport, no impact on M-S transport was apparent. For PS-80, the presence of either serosal or mucosal surfactant led to a decrease in secretory (S-M) DIG transport, however no effect on absorptive transport was evident. The data confirm the potential P-gp inhibitory effects of Cr-EL, but suggest that in contrast to Cr-EL, PS-80 is not a potent inhibitor of P-gp and is incapable of increasing absorptive drug transport, at least in excised rat intestinal tissue and at the concentrations tested. The data are also consistent with the involvement of additional transporters (both apical and basolateral) in the intestinal permeability of DIG, although more definitive data is required to confirm this possibility.

  17. Electrodriven selective transport of Cs+ using chlorinated cobalt dicarbollide in polymer inclusion membrane: a novel approach for cesium removal from simulated nuclear waste solution.

    PubMed

    Chaudhury, Sanhita; Bhattacharyya, Arunasis; Goswami, Asok

    2014-11-04

    The work describes a novel and cleaner approach of electrodriven selective transport of Cs from simulated nuclear waste solutions through cellulose tri acetate (CTA)/poly vinyl chloride (PVC) based polymer inclusion membrane. The electrodriven cation transport together with the use of highly Cs+ selective hexachlorinated derivative of cobalt bis dicarbollide, allows to achieve selective separation of Cs+ from high concentration of Na+ and other fission products in nuclear waste solutions. The transport selectivity has been studied using radiotracer technique as well as atomic emission spectroscopic technique. Transport studies using CTA based membrane have been carried out from neutral solution as well as 0.4 M HNO3, while that with PVC based membrane has been carried out from 3 M HNO3. High decontamination factor for Cs+ over Na+ has been obtained in all the cases. Experiment with simulated high level waste solution shows selective transport of Cs+ from most of other fission products also. Significantly fast Cs+ transport rate along with high selectivity is an interesting feature observed in this membrane. The current efficiency for Cs+ transport has been found to be ∼100%. The promising results show the possibility of using this kind of electrodriven membrane transport methods for nuclear waste treatment.

  18. Evaporation-driven transport and precipitation of salt in porous-media: A multi-domain approach

    NASA Astrophysics Data System (ADS)

    Jambhekar, Vishal Arun; Schmid, Karen Sophie; Helmig, Rainer

    2014-05-01

    Introduction: Evaporative salinization a major concern worldwide is observed across many environmental, agricultural and engineering applications. In the context of agriculture, salinization caused due to excess irrigation and use of artificial fertilizers in last few decades deteriorated productive land to a large extent. Many scientists have conducted experimental and numerical studies related to evaporative salinization [1, 2]. However, to our knowledge most of the performed numerical studies neglect the influence of atmospheric processes and free-flow pours-media interaction, which could play a significant role for salinization in a natural system. With our model concept we attempt to study and analyze the influence of atmospheric processes on dissolved salt transport, evaporation dynamics and salt-precipitation. Evaporation is mainly driven by diffusion, related to the vapor pressure gradient across liquid-air interface and advection, related to the tangential wind velocity at the soil surface. Moreover, it is also affected by the complex interactions between the flow and transport processes in the atmosphere and the porous-medium. On the atmosphere side, it is influenced by wind velocity, air temperature, humidity, radiation etc. On the porous-medium side, it is strongly related to the advective and diffusive fluxes, heterogeneity in salinity distribution (causes osmosis) and salt precipitation (causes pore clogging). As discussed in [1] evaporation of saline solutions can be explained into three different stages. Model: Our model is capable to handle coupled single-phase-compositional free and three-phase-compositional porous-media flow and transport. It is based on a two-domain approach, where non-isothermal sub-models are used for free-flow and porous-media sub-domains [3]. The sub-models are coupled using interface conditions ensuring continuity of mass, momentum and energy. This facilitates to describe evaporation independent of any boundary condition at

  19. Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach.

    PubMed

    Navarro, Amparo; Fernández-Liencres, M Paz; Peña-Ruiz, Tomás; García, Gregorio; Granadino-Roldán, José M; Fernández-Gómez, Manuel

    2016-08-07

    Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a prominent effect on the electron reorganization energy that decreases ∼0.2 eV from perylene to the new carbon five-membered ring derivative. Heteroatom substitution with boron also revealed to lower the LUMO energy level and increase the electron affinity, therefore lowering the electron injection barrier compared to perylene. Since the rate of the charge transfer between two molecules in columnar discotic systems is strongly dependent on the orientation of the stacked cores, the total energy and transfer integral of a dimer as a disc is rotated with respect to the other along the stacking axis have been predicted. Aimed at obtaining a more realistic approach to the bulk structure, the molecular geometry of clusters made up of five discs was fully optimized, and charge transfer rate and mobilities were estimated for charge transport along a one dimensional pathway. Heteroatom substitution with selenium yields electron transfer integral values ∼0.3 eV with a relative disc orientation of 25°, which is the preferred angle according to the dimer energy profile. All the results indicate that the tetraselenium-substituted derivative, not synthetized so far, could be a promising candidate among those studied in this work for the fabrication of n-type semiconductors based on columnar discotic liquid crystals materials.

  20. Effect of five-membered ring and heteroatom substitution on charge transport properties of perylene discotic derivatives: A theoretical approach

    NASA Astrophysics Data System (ADS)

    Navarro, Amparo; Fernández-Liencres, M. Paz; Peña-Ruiz, Tomás; García, Gregorio; Granadino-Roldán, José M.; Fernández-Gómez, Manuel

    2016-08-01

    Density functional theory calculations were carried out to investigate the evolvement of charge transport properties of a set of new discotic systems as a function of ring and heteroatom (B, Si, S, and Se) substitution on the basic structure of perylene. The replacement of six-membered rings by five-membered rings in the reference compound has shown a prominent effect on the electron reorganization energy that decreases ˜0.2 eV from perylene to the new carbon five-membered ring derivative. Heteroatom substitution with boron also revealed to lower the LUMO energy level and increase the electron affinity, therefore lowering the electron injection barrier compared to perylene. Since the rate of the charge transfer between two molecules in columnar discotic systems is strongly dependent on the orientation of the stacked cores, the total energy and transfer integral of a dimer as a disc is rotated with respect to the other along the stacking axis have been predicted. Aimed at obtaining a more realistic approach to the bulk structure, the molecular geometry of clusters made up of five discs was fully optimized, and charge transfer rate and mobilities were estimated for charge transport along a one dimensional pathway. Heteroatom substitution with selenium yields electron transfer integral values ˜0.3 eV with a relative disc orientation of 25°, which is the preferred angle according to the dimer energy profile. All the results indicate that the tetraselenium-substituted derivative, not synthetized so far, could be a promising candidate among those studied in this work for the fabrication of n-type semiconductors based on columnar discotic liquid crystals materials.

  1. A quasi-2D flood modeling approach to simulate substance transport in polder systems for environment flood risk assessment.

    PubMed

    Lindenschmidt, Karl-Erich; Huang, Shaochun; Baborowski, Martina

    2008-07-01

    In flood modeling, many one-dimensional (1D) hydrodynamic and water quality models are too restricted in capturing the spatial differentiation of processes within a polder or system of polders and two-dimensional (2D) models are too demanding in data requirements and computational resources, especially if Monte-Carlo techniques are to be used for model uncertainty analyses. The first goal of this paper is to show the successful development of a quasi-2D modeling approach which still calculates the dynamic wave in 1D but the discretisation of the computational units is in 2D, allowing a better spatial representation of the flow and substance transport processes in the polders without a large additional expenditure on data pre-processing and simulation processing. The models DYNHYD (1D hydrodynamics) and TOXI (sediment and micro-pollutant transport) were used as a basis for the hydrodynamic and water quality simulations. An extreme flood event on the Elbe River, Germany, with a proposed polder system variant was used as a test case. The results show a plausible differentiation of suspended sediment and zinc concentrations within the polders both spatially and temporally. This fulfills the second goal of this research. The third goal of this work is to provide an example methodology of carrying out an environmental risk assessment in inundated areas by flood waters, as required by the European Union floods directive. The deposition of zinc in polders was used for this example, due to its high contamination potential in the Elbe River. The extended quasi-2D modeling system incorporates a Monte-Carlo uncertainty analysis to assess the environmental impact of heavy metal deposition in the polders during extreme flooding. The environmental risk computed gives a 48% chance of exceeding the inspection value of 500 mg zinc/kg sediment for a flood such as the August 2002 event.

  2. Defective hCNT1 transport contributes to gemcitabine chemoresistance in ovarian cancer subtypes: overcoming transport defects using a nanoparticle approach.

    PubMed

    Hung, Sau Wai; Marrache, Sean; Cummins, Shannon; Bhutia, Yangzom D; Mody, Hardik; Hooks, Shelley B; Dhar, Shanta; Govindarajan, Rajgopal

    2015-04-10

    Nucleoside analogs are used as chemotherapeutic options for the treatment of platinum-resistant ovarian cancers. Human concentrative nucleoside transporter 1 (hCNT1) is implicated in sensitizing solid tumors to nucleoside analogs although its role in determining drug efficacy in ovarian cancers remains unclear. Here we examined the functional expression of hCNT1 and compared its contributions toward gemcitabine efficacy in histological subtypes of ovarian cancer. Radioactivity analysis identified hCNT1-mediated (3)H-gemcitabine transport in ovarian cancer cells to be significantly reduced compared with that of normal ovarian surface epithelial cells. Biochemical and immunocytochemical analysis identified that unlike normal ovarian cells which expressed high levels of hCNT1 at the apical cell surface, the transporter was either diminished in expression and/or mislocalized in cell lines of various subtypes of ovarian cancer. Retroviral expression of hCNT1 selectively rescued gemcitabine transport in cell lines representing serous, teratocarcinoma, and endometrioid subtypes, but not clear cell carcinoma (CCC). In addition, exogenous hCNT1 predominantly accumulated in intracytoplasmic vesicles in CCC suggesting defective cellular trafficking of hCNT1 as a contributing factor to transport deficiency. Despite diminution of hCNT1 transport in the majority of ovarian cancers and apparent trafficking defects with CCC, the chemotherapeutic efficacy of gemcitabine was broadly enhanced in all subtypes when delivered via engineered nanoparticles (NPs). Additionally, by bypassing the transport requirement, the delivery of a gemcitabine-cisplatin combination in NP formulation increased their synergistic interactions. These findings uncover hCNT1 as a putative determinant for nucleoside analog chemoresistance in ovarian cancer and may help rationalize drug selection and delivery strategies for various histological subtypes of ovarian cancer.

  3. A semiautomated approach to gene discovery through expressed sequence tag data mining: discovery of new human transporter genes.

    PubMed

    Brown, Shoshana; Chang, Jean L; Sadée, Wolfgang; Babbitt, Patricia C

    2003-01-01

    Identification and functional characterization of the genes in the human genome remain a major challenge. A principal source of publicly available information used for this purpose is the National Center for Biotechnology Information database of expressed sequence tags (dbEST), which contains over 4 million human ESTs. To extract the information buried in this data more effectively, we have developed a semiautomated method to mine dbEST for uncharacterized human genes. Starting with a single protein input sequence, a family of related proteins from all species is compiled. This entire family is then used to mine the human EST database for new gene candidates. Evaluation of putative new gene candidates in the context of a family of characterized proteins provides a framework for inference of the structure and function of the new genes. When applied to a test data set of 28 families within the major facilitator superfamily (MFS) of membrane transporters, our protocol found 73 previously characterized human MFS genes and 43 new MFS gene candidates. Development of this approach provided insights into the problems and pitfalls of automated data mining using public databases.

  4. An integrated modeling approach for temperature driven water transport in a polymer electrolyte fuel cell stack after shutdown

    NASA Astrophysics Data System (ADS)

    Khandelwal, Manish; Mench, M. M.

    The concept of using controlled temperature gradients to non-parasitically remove excess water from porous media during PEFC stack shutdown has been numerically investigated. An integrated modeling approach focusing both at stack and single cell level is presented. The stack thermal model is developed to obtain detailed temperature distribution across the PEFC stack. The two-phase unit fuel cell model is developed to investigate the detailed water and thermal transport in the PEFC components after shutdown, which for the first time includes thermo-osmotic flow in the membrane. The model accounts for capillary and phase-change induced flow in the porous media, and thermo-osmotic and diffusive flow in the polymer membrane. The single cell model is used to estimate the local water distribution with land or channel boundary condition, and the experimentally validated stack thermal model provided the transient temperature boundary conditions. Two different stack designs are compared to quantify the residual water in the stack. Model results indicate that a favorable temperature gradient can be formed in the stack to enhance the water drainage rate, esp. at anode end cell locations, where freeze/thaw damage has been observed to occur.

  5. Evaluation of toroidal torque by non-resonant magnetic perturbations in tokamaks for resonant transport regimes using a Hamiltonian approach

    NASA Astrophysics Data System (ADS)

    Albert, Christopher G.; Heyn, Martin F.; Kapper, Gernot; Kasilov, Sergei V.; Kernbichler, Winfried; Martitsch, Andreas F.

    2016-08-01

    Toroidal torque generated by neoclassical viscosity caused by external non-resonant, non-axisymmetric perturbations has a significant influence on toroidal plasma rotation in tokamaks. In this article, a derivation for the expressions of toroidal torque and radial transport in resonant regimes is provided within quasilinear theory in canonical action-angle variables. The proposed approach treats all low-collisional quasilinear resonant neoclassical toroidal viscosity regimes including superbanana-plateau and drift-orbit resonances in a unified way and allows for magnetic drift in all regimes. It is valid for perturbations on toroidally symmetric flux surfaces of the unperturbed equilibrium without specific assumptions on geometry or aspect ratio. The resulting expressions are shown to match the existing analytical results in the large aspect ratio limit. Numerical results from the newly developed code NEO-RT are compared to calculations by the quasilinear version of the code NEO-2 at low collisionalities. The importance of the magnetic shear term in the magnetic drift frequency and a significant effect of the magnetic drift on drift-orbit resonances are demonstrated.

  6. Correction: Decrease in thermal conductivity in polymeric P3HT nanowires by size-reduction induced by crystal orientation: new approaches towards thermal transport engineering of organic materials

    NASA Astrophysics Data System (ADS)

    Rojo, Miguel Muñoz; Martín, Jaime; Grauby, Stéphane; Borca-Tasciuc, Theodorian; Dilhaire, Stefan; Martin-Gonzalez, Marisol

    2015-02-01

    Correction for `Decrease in thermal conductivity in polymeric P3HT nanowires by size-reduction induced by crystal orientation: new approaches towards thermal transport engineering of organic materials' by Miguel Muñoz Rojo et al., Nanoscale, 2014, 6, 7858-7865.

  7. An Integrated Approach on Groundwater Flow and Heat/Solute Transport for Sustainable Groundwater Source Heat Pump (GWHP) System Operation

    NASA Astrophysics Data System (ADS)

    Park, D. K.; Bae, G. O.; Joun, W.; Park, B. H.; Park, J.; Park, I.; Lee, K. K.

    2015-12-01

    The GWHP system uses a stable temperature of groundwater for cooling and heating in buildings and thus has been known as one of the most energy-saving and cost-efficient renewable energy techniques. A GWHP facility was installed at an island located at the confluence of North Han and South Han rivers, Korea. Because of well-developed alluvium, the aquifer is suitable for application of this system, extracting and injecting a large amount of groundwater. However, the numerical experiments under various operational conditions showed that it could be vulnerable to thermal interference due to the highly permeable gravel layer, as a preferential path of thermal plume migration, and limited space for well installation. Thus, regional groundwater flow must be an important factor of consideration for the efficient operation under these conditions but was found to be not simple in this site. While the groundwater level in this site totally depends on the river stage control of Paldang dam, the direction and velocity of the regional groundwater flow, observed using the colloidal borescope, have been changed hour by hour with the combined flows of both the rivers. During the pumping and injection tests, the water discharges in Cheongpyeong dam affected their respective results. Moreover, the measured NO3-N concentrations might imply the effect of agricultural activities around the facility on the groundwater quality along the regional flow. It is obvious that the extraction and injection of groundwater during the facility operation will affect the fate of the agricultural contaminants. Particularly, the gravel layer must also be a main path for contaminant migration. The simulations for contaminant transport during the facility operation showed that the operation strategy for only thermal efficiency could be unsafe and unstable in respect of groundwater quality. All these results concluded that the integrated approach on groundwater flow and heat/solute transport is necessary

  8. An experimental, hands-on approach to epithelial ion transport: A simple technique for introducing students to ion transport in epithelia.

    PubMed

    Bagdadi, Andrea; Orona, Nadia; Fernández, Eugenio; Altamirano, Anibal; Amorena, Carlos

    2010-09-01

    We have realized that our Biology undergraduate students learn biological concepts as established truths without awareness of the body of experimental evidence supporting the emerging models as usually presented in handbooks and texts in general. Therefore, we have implemented a laboratory practice in our course of Physiology and Biophysics, aimed to introduce the students in the way the scientific models and theories are built, through the measurement of Na(+) transport in frog skin. Transepithelial Na(+) transport was assessed in the frog skin, with measurements of short circuit currents. The mucosal Na(+) and serosal K(+) concentrations were modified and the effects were recorded. These effects were reversible. Addition of a drug that blocks epithelial Na(+) channels (amiloride) to the mucosal side solution abolished the short circuit current. Sodium fluxes were calculated, and the results were adjusted to Michaelis-Menten kinetics. The impact of the proposed practice on the students is discussed.

  9. A Laboratory Approach Relating Complex Resistivity Observations to Flow and Transport in Saturated and Unsaturated Hydrologic Regimes

    SciTech Connect

    Martins, S A; Daily, W D; Ramirez, A L

    2002-01-31

    Subsurface imaging technology, such as electric resistance tomography (ERT), is rapidly improving as a means for characterizing some soil properties of the near-surface hydrologic regime. While this information can be potentially useful in developing hydrologic models of the subsurface that are required for contaminant transport investigations, an image alone of the subsurface soil regime gives little or no information about how the site will respond to groundwater flow or contaminant transport. In fact, there is some question that tomographic imaging of soils alone can even provide meaningful values of hydraulic properties, such as the permeability structure, which is critical to estimates of contaminant transport at a site. The main objective of this feasibility study was to initiate research on electrical imaging not just as a way to characterize the soil structure by mapping different soil types at a site but as a means of obtaining quantitative information about how a site will respond hydrologically to an infiltration event. To this end, a scaled system of electrode arrays was constructed that simulates the subsurface electrode distribution used at the LLNL Vadose Zone Observatory (VZO) where subsurface imaging of infiltration events has been investigated for several years. The electrode system was immersed in a 10,000-gallon tank to evaluate the fundamental relationship between ERT images and targets of a given volume that approximate infiltration-induced conductivity anomalies. With LDRD funds we have explored what can be initially learned about porous flow and transport using two important electrical imaging methods--electric resistance tomography (ERT) and electric impedance tomography (EIT). These tomographic methods involve passing currents (DC or AC) between two electrodes within or between electrode arrays while measuring the electric potential at the remaining electrodes. With the aid of a computer-based numerical inversion scheme, the potentials are

  10. Ground-based and in-flight simulator studies of flight characteristics of a twin-fuselage passenger transport airplane during approach and landing

    NASA Technical Reports Server (NTRS)

    Grantham, W. D.; Smith, P. M.; Neely, W. R., Jr.; Deal, P. L.; Yenni, K. R.

    1985-01-01

    Six-degree-of-freedom ground-based and in-flight simulator studies were conducted to evaluate the low-speed flight characteristics of a twin-fuselage passenger transport airplane and to compare these characteristics with those of a large, single-fuselage (reference) transport configuration similar to the Lockheed C-5A airplane. The primary piloting task was the approach and landing task. The results of this study indicated that the twin-fuselage transport concept had acceptable but unsatisfactory longitudinal and lateral-directional low-speed flight characteristics, and that stability and control augmentation would be required in order to improve the handling qualities. Through the use of rate-command/attitude-hold augmentation in the pitch and roll axes, and the use of several turn coordination features, the handling qualities of the simulated transport were improved appreciably. The in-flight test results showed excellent agreement with those of the six-degree-of-freedom ground-based simulator handling qualities tests. As a result of the in-flight simulation study, a roll-control-induced normal-acceleration criterion was developed. The handling qualities of the augmented twin-fuselage passenger transport airplane exhibited an improvement over the handling characteristics of the reference (single-fuselage) transport.

  11. A multiple-point geostatistical approach to quantifying uncertainty for flow and transport simulation in geologically complex environments

    NASA Astrophysics Data System (ADS)

    Cronkite-Ratcliff, C.; Phelps, G. A.; Boucher, A.

    2011-12-01

    In many geologic settings, the pathways of groundwater flow are controlled by geologic heterogeneities which have complex geometries. Models of these geologic heterogeneities, and consequently, their effects on the simulated pathways of groundwater flow, are characterized by uncertainty. Multiple-point geostatistics, which uses a training image to represent complex geometric descriptions of geologic heterogeneity, provides a stochastic approach to the analysis of geologic uncertainty. Incorporating multiple-point geostatistics into numerical models provides a way to extend this analysis to the effects of geologic uncertainty on the results of flow simulations. We present two case studies to demonstrate the application of multiple-point geostatistics to numerical flow simulation in complex geologic settings with both static and dynamic conditioning data. Both cases involve the development of a training image from a complex geometric description of the geologic environment. Geologic heterogeneity is modeled stochastically by generating multiple equally-probable realizations, all consistent with the training image. Numerical flow simulation for each stochastic realization provides the basis for analyzing the effects of geologic uncertainty on simulated hydraulic response. The first case study is a hypothetical geologic scenario developed using data from the alluvial deposits in Yucca Flat, Nevada. The SNESIM algorithm is used to stochastically model geologic heterogeneity conditioned to the mapped surface geology as well as vertical drill-hole data. Numerical simulation of groundwater flow and contaminant transport through geologic models produces a distribution of hydraulic responses and contaminant concentration results. From this distribution of results, the probability of exceeding a given contaminant concentration threshold can be used as an indicator of uncertainty about the location of the contaminant plume boundary. The second case study considers a

  12. Linking pore-scale chemical processes to continuum-scale flow properties: an experimental and theoretical reactive transport approach

    NASA Astrophysics Data System (ADS)

    Tutolo, B. M.; Luhmann, A. J.; Kong, X.; Seyfried, W. E.; Saar, M. O.

    2012-12-01

    the experimental system. Significantly, the application of these rate laws to feldspathic systems requires accurate thermodynamic data for primary and secondary aluminum-bearing minerals and aqueous species, particularly when modeling the transition from far-from-equilibrium to near-equilibrium rates as the experiment progresses. Overall, the reactive transport modeling approach presented here strengthens predictions of subsurface response to CO2 injection by integrating advanced characterization methods, accurate thermodynamic and kinetic data, and properly scaled geochemical and physical flow models.

  13. Stochastic uncertainty analysis for solute transport in randomly heterogeneous media using a Karhunen-Loève-based moment equation approach

    USGS Publications Warehouse

    Liu, Gaisheng; Lu, Zhiming; Zhang, Dongxiao

    2007-01-01

    A new approach has been developed for solving solute transport problems in randomly heterogeneous media using the Karhunen-Loève-based moment equation (KLME) technique proposed by Zhang and Lu (2004). The KLME approach combines the Karhunen-Loève decomposition of the underlying random conductivity field and the perturbative and polynomial expansions of dependent variables including the hydraulic head, flow velocity, dispersion coefficient, and solute concentration. The equations obtained in this approach are sequential, and their structure is formulated in the same form as the original governing equations such that any existing simulator, such as Modular Three-Dimensional Multispecies Transport Model for Simulation of Advection, Dispersion, and Chemical Reactions of Contaminants in Groundwater Systems (MT3DMS), can be directly applied as the solver. Through a series of two-dimensional examples, the validity of the KLME approach is evaluated against the classical Monte Carlo simulations. Results indicate that under the flow and transport conditions examined in this work, the KLME approach provides an accurate representation of the mean concentration. For the concentration variance, the accuracy of the KLME approach is good when the conductivity variance is 0.5. As the conductivity variance increases up to 1.0, the mismatch on the concentration variance becomes large, although the mean concentration can still be accurately reproduced by the KLME approach. Our results also indicate that when the conductivity variance is relatively large, neglecting the effects of the cross terms between velocity fluctuations and local dispersivities, as done in some previous studies, can produce noticeable errors, and a rigorous treatment of the dispersion terms becomes more appropriate.

  14. A novel approach using C. elegans DNA damage-induced apoptosis to characterize the dynamics of uptake transporters for therapeutic drug discoveries

    PubMed Central

    Papaluca, Arturo; Ramotar, Dindial

    2016-01-01

    Organic cation transporter (OCT) function is critical for cellular homeostasis. C. elegans lacking OCT-1 displays a shortened lifespan and increased susceptibility to oxidative stress. We show that these phenotypes can be rescued by downregulating the OCT-1 paralogue, OCT-2. Herein, we delineate a biochemical pathway in C. elegans where uptake of genotoxic chemotherapeutics such as doxorubicin and cisplatin, and subsequent DNA damage-induced apoptosis of germ cells, are dependent exclusively upon OCT-2. We characterized OCT-2 as the main uptake transporter for doxorubicin, as well as a number of other therapeutic agents and chemical compounds, some identified through ligand-protein docking analyses. We provide insights into the conserved features of the structure and function and gene regulation of oct-1 and oct-2 in distinct tissues of C. elegans. Importantly, our innovative approach of exploiting C. elegans uptake transporters in combination with defective DNA repair pathways will have broad applications in medicinal chemistry. PMID:27786254

  15. Candidate-gene approach in posttraumatic stress disorder after urban violence: association analysis of the genes encoding serotonin transporter, dopamine transporter, and BDNF.

    PubMed

    Valente, Nina Leão Marques; Vallada, Homero; Cordeiro, Quirino; Miguita, Karen; Bressan, Rodrigo Affonseca; Andreoli, Sergio Baxter; Mari, Jair Jesus; Mello, Marcelo Feijó

    2011-05-01

    Posttraumatic stress disorder (PTSD) is a prevalent, disabling anxiety disorder marked by behavioral and physiologic alterations which commonly follows a chronic course. Exposure to a traumatic event constitutes a necessary, but not sufficient, factor. There is evidence from twin studies supporting a significant genetic predisposition to PTSD. However, the precise genetic loci still remain unclear. The objective of the present study was to identify, in a case-control study, whether the brain-derived neurotrophic factor (BDNF) val66met polymorphism (rs6265), the dopamine transporter (DAT1) three prime untranslated region (3'UTR) variable number of tandem repeats (VNTR), and the serotonin transporter (5-HTTPRL) short/long variants are associated with the development of PTSD in a group of victims of urban violence. All polymorphisms were genotyped in 65 PTSD patients as well as in 34 victims of violence without PTSD and in a community control group (n = 335). We did not find a statistical significant difference between the BDNF val66met and 5-HTTPRL polymorphism and the traumatic phenotype. However, a statistical association was found between DAT1 3'UTR VNTR nine repeats and PTSD (OR = 1.82; 95% CI, 1.20-2.76). This preliminary result confirms previous reports supporting a susceptibility role for allele 9 and PTSD.

  16. The significance of water co-transport for sustaining transpirational water flow in plants: a quantitative approach.

    PubMed

    Fricke, Wieland

    2015-02-01

    In a recent Opinion paper, Wegner (Journal of Experimental Botany 65, 381-392, 2014) adapts a concept developed for water flow in animal tissues to propose a model, which can explain the loading of water into the root xylem against a difference in water potential (Ψ) between the xylem parenchyma cell (more negative Ψ) and the xylem vessel (less negative Ψ). In this model, the transport of water is energized through the co-transport of ions such as K(+) and Cl(-) through plasma membrane-located transporters. The emphasis of the model is on the thermodynamic feasibility of the co-transport mechanism per se. However, what is lacking is a quantitative evaluation of the energy input required at the organismal level to sustain such a co-transport mechanism in the face of considerable net (transpirational) flows of water through the system. Here, we use a ratio of 500 water molecules being co-transported for every pair of K(+) and Cl(-) ions, as proposed for the animal system, to calculate the energy required to sustain daytime and night-time transpirational water flow in barley plants through a water co-transport mechanism. We compare this energy with the total daily net input of energy through photosynthetic carbon assimilation. Water co-transport can facilitate the filling of xylem against a difference in Ψ of 1.0MPa and puts a minor drain on the energy budget of the plant. Based on these findings it cannot be excluded that water co-transport in plants contributes significantly to xylem filling during night-time and possibly also daytime transpiration.

  17. Predictive DFT-based approaches to charge and spin transport in single-molecule junctions and two-dimensional materials: successes and challenges.

    PubMed

    Quek, Su Ying; Khoo, Khoong Hong

    2014-11-18

    CONSPECTUS: The emerging field of flexible electronics based on organics and two-dimensional (2D) materials relies on a fundamental understanding of charge and spin transport at the molecular and nanoscale. It is desirable to make predictions and shine light on unexplained experimental phenomena independently of experimentally derived parameters. Indeed, density functional theory (DFT), the workhorse of first-principles approaches, has been used extensively to model charge/spin transport at the nanoscale. However, DFT is essentially a ground state theory that simply guarantees correct total energies given the correct charge density, while charge/spin transport is a nonequilibrium phenomenon involving the scattering of quasiparticles. In this Account, we critically assess the validity and applicability of DFT to predict charge/spin transport at the nanoscale. We also describe a DFT-based approach, DFT+Σ, which incorporates corrections to Kohn-Sham energy levels based on many-electron calculations. We focus on single-molecule junctions and then discuss how the important considerations for DFT descriptions of transport can differ in 2D materials. We conclude that when used appropriately, DFT and DFT-based approaches can play an important role in making predictions and gaining insight into transport in these materials. Specifically, we shall focus on the low-bias quasi-equilibrium regime, which is also experimentally most relevant for single-molecule junctions. The next question is how well can the scattering of DFT Kohn-Sham particles approximate the scattering of true quasiparticles in the junction? Quasiparticles are electrons (holes) that are surrounded by a constantly changing cloud of holes (electrons), but Kohn-Sham particles have no physical significance. However, Kohn-Sham particles can often be used as a qualitative approximation to quasiparticles. The errors in standard DFT descriptions of transport arise primarily from errors in the Kohn-Sham energy levels

  18. Highly reusable space transportation: Approaches for reducing ETO launch costs to $100 - $200 per pound of payload

    NASA Technical Reports Server (NTRS)

    Olds, John R.

    1995-01-01

    The Commercial Space Transportation Study (CSTS) suggests that considerable market expansion in earth-to-orbit transportation would take place if current launch prices could be reduced to around $400 per pound of payload. If these low prices can be achieved, annual payload delivered to low earth orbit (LEO) is predicted to reach 6.7 million pounds. The primary market growth will occur in communications, government missions, and civil transportation. By establishing a cost target of $100-$200 per pound of payload for a new launch system, the Highly Reusable Space Transportation (HRST) program has clearly set its sights on removing the current restriction on market growth imposed by today's high launch costs. In particular, achieving the goal of $100-$200 per pound of payload will require significant coordinated efforts in (1) marketing strategy development, (2) business planning, (3) system operational strategy, (4) vehicle technical design, and (5) vehicle maintenance strategy.

  19. Approach to Integrate Global-Sun Models of Magnetic Flux Emergence and Transport for Space Weather Studies

    NASA Technical Reports Server (NTRS)

    Mansour, Nagi N.; Wray, Alan A.; Mehrotra, Piyush; Henney, Carl; Arge, Nick; Godinez, H.; Manchester, Ward; Koller, J.; Kosovichev, A.; Scherrer, P.; Zhao, J.; Stein, R.; Duvall, T.; Fan, Y.

    2013-01-01

    The Sun lies at the center of space weather and is the source of its variability. The primary input to coronal and solar wind models is the activity of the magnetic field in the solar photosphere. Recent advancements in solar observations and numerical simulations provide a basis for developing physics-based models for the dynamics of the magnetic field from the deep convection zone of the Sun to the corona with the goal of providing robust near real-time boundary conditions at the base of space weather forecast models. The goal is to develop new strategic capabilities that enable characterization and prediction of the magnetic field structure and flow dynamics of the Sun by assimilating data from helioseismology and magnetic field observations into physics-based realistic magnetohydrodynamics (MHD) simulations. The integration of first-principle modeling of solar magnetism and flow dynamics with real-time observational data via advanced data assimilation methods is a new, transformative step in space weather research and prediction. This approach will substantially enhance an existing model of magnetic flux distribution and transport developed by the Air Force Research Lab. The development plan is to use the Space Weather Modeling Framework (SWMF) to develop Coupled Models for Emerging flux Simulations (CMES) that couples three existing models: (1) an MHD formulation with the anelastic approximation to simulate the deep convection zone (FSAM code), (2) an MHD formulation with full compressible Navier-Stokes equations and a detailed description of radiative transfer and thermodynamics to simulate near-surface convection and the photosphere (Stagger code), and (3) an MHD formulation with full, compressible Navier-Stokes equations and an approximate description of radiative transfer and heating to simulate the corona (Module in BATS-R-US). CMES will enable simulations of the emergence of magnetic structures from the deep convection zone to the corona. Finally, a plan

  20. An Accelerated Development, Reduced Cost Approach to Lunar/Mars Exploration Using a Modular NTR-Based Space Transportation System

    NASA Technical Reports Server (NTRS)

    Borowski, S.; Clark, J.; Sefcik, R.; Corban, R.; Alexander, S.

    1995-01-01

    The results of integrated systems and mission studies are presented which quantify the benefits and rationale for developing a common, modular lunar/Mars space transportation system (STS) based on nuclear thermal rocket (NTR) technology. At present NASA's Exploration Program Office (ExPO) is considering chemical propulsion for an 'early return to the Moon' and NTR propulsion for the more demanding Mars missions to follow. The time and cost to develop these multiple systems are expected to be significant. The Nuclear Propulsion Office (NPO) has examined a variety of lunar and Mars missions and heavy lift launch vehicle (HLLV) options in an effort to determine a 'standardized' set of engine and stage components capable of satisfying a wide range of Space Exploration Initiative (SEI) missions. By using these components in a 'building block' fashion, a variety of single and multi-engine lunar and Mars vehicles can be configured. For NASA's 'First Lunar Outpost' (FLO) mission, an expendable NTR stage powered by two 50 klbf engines can deliver approximately 96 metric tons (t) to translunar injection (TLI) conditions for an initial mass in low earth orbit (IMLEO) of approximately 198 t compared to 250 t for a cryogenic chemical TLI stage. The NTR stage liquid hydrogen (LH2) tank has a 10 m diameter, 14.5 m length, and 66 t LH2 capacity. The NTR utilizes a UC-ZrC-graphite 'composite' fuel with a specific impulse (Isp) capability of approximately 900 s and an engine thrust-to-weight ratio of approximately 4.3. By extending the size and LH2 capacity of the lunar NTR stage to approximately 20 m and 96 t, respectively, a single launch Mars cargo vehicle capable of delivering approximately 50 t of surface payload is possible. Three 50 klbf NTR engines and the two standardized LH2 tank sizes developed for lunar and Mars cargo vehicle applications would be used to configure the Mars piloted vehicle for a mission as early as 2010. The paper describes the features of the 'common

  1. High Selectivity of the γ-Aminobutyric Acid Transporter 2 (GAT-2, SLC6A13) Revealed by Structure-based Approach*

    PubMed Central

    Schlessinger, Avner; Wittwer, Matthias B.; Dahlin, Amber; Khuri, Natalia; Bonomi, Massimiliano; Fan, Hao; Giacomini, Kathleen M.; Sali, Andrej

    2012-01-01

    The solute carrier 6 (SLC6) is a family of ion-dependent transporters that mediate uptake into the cell of osmolytes such as neurotransmitters and amino acids. Four SLC6 members transport GABA, a key neurotransmitter that triggers inhibitory signaling pathways via various receptors (e.g., GABAA). The GABA transporters (GATs) regulate the concentration of GABA available for signaling and are thus targeted by a variety of anticonvulsant and relaxant drugs. Here, we characterize GAT-2, a transporter that plays a role in peripheral GABAergic mechanisms, by constructing comparative structural models based on crystallographic structures of the leucine transporter LeuT. Models of GAT-2 in two different conformations were constructed and experimentally validated, using site-directed mutagenesis. Computational screening of 594,166 compounds including drugs, metabolites, and fragment-like molecules from the ZINC database revealed distinct ligands for the two GAT-2 models. 31 small molecules, including high scoring compounds and molecules chemically related to known and predicted GAT-2 ligands, were experimentally tested in inhibition assays. Twelve ligands were found, six of which were chemically novel (e.g., homotaurine). Our results suggest that GAT-2 is a high selectivity/low affinity transporter that is resistant to inhibition by typical GABAergic inhibitors. Finally, we compared the binding site of GAT-2 with those of other SLC6 members, including the norepinephrine transporter and other GATs, to identify ligand specificity determinants for this family. Our combined approach may be useful for characterizing interactions between small molecules and other membrane proteins, as well as for describing substrate specificities in other protein families. PMID:22932902

  2. Meso-scale on-road vehicle emission inventory approach: a study on Dhaka City of Bangladesh supporting the 'cause-effect' analysis of the transport system.

    PubMed

    Iqbal, Asif; Allan, Andrew; Zito, Rocco

    2016-03-01

    The study aims to develop an emission inventory (EI) approach and conduct an inventory for vehicular sources in Dhaka City, Bangladesh. A meso-scale modelling approach was adopted for the inventory; the factors that influence the emissions and the magnitude of emission variation were identified and reported on, which was an innovative approach to account emissions unlike the conventional inventory approaches. Two techniques for the emission inventory were applied, viz. (i) a combined top-down and bottom-up approach that considered the total vehicle population and the average diurnal on-road vehicle speed profile in the city and (ii) a bottom-up approach that accounted for road link-specific emissions of the city considering diurnal traffic volume and speed profiles of the respective roads. For the bottom-up approach, road link-specific detailed data were obtained through field survey in 2012, where mid-block traffic count of the day, vehicle speed profile, road network and congestion data were collected principally. The emission variances for the change in transport system characteristics (like change in fuel type, AC usage pattern, increased speed and reduced congestion/stopping) were predicted and analysed in this study; congestion influenced average speed of the vehicles, and fuel types in the vehicles were identified as the major stressors. The study performance was considered reasonable when comparing with the limited number of similar studies conducted earlier. Given the increasing trend of private vehicles each year coupled with increasing traffic congestion, the city is under threat of increased vehicular emissions unless a good management strategy is implemented. Although the inventory is conducted for Dhaka and the result may be important locally, the approach adopted in this research is innovative in nature to be followed for conducting research on other urban transport systems.

  3. Simultaneous modulation of transport and metabolism of acyclovir prodrugs across rabbit cornea: An approach involving enzyme inhibitors.

    PubMed

    Katragadda, Suresh; Talluri, Ravi S; Mitra, Ashim K

    2006-08-31

    The aim of this study is to identify the class of enzymes responsible for the hydrolysis of amino acid and dipeptide prodrugs of acyclovir (ACV) and to modulate transport and metabolism of amino acid and dipeptide prodrugs of acyclovir by enzyme inhibitors across rabbit cornea. l-Valine ester of acyclovir, valacyclovir (VACV) and l-glycine-valine ester of acyclovir, gly-val-acyclovir (GVACV) were used as model compounds. Hydrolysis studies of VACV and GVACV in corneal homogenate were conducted in presence of various enzyme inhibitors. IC(50) values were determined for the enzyme inhibitors. Transport studies were conducted with isolated rabbit corneas at 34 degrees C. Complete inhibition of VACV hydrolysis was observed in the presence of Pefabloc SC (4-(2-aminoethyl)-benzenesulfonyl-fluoride) and PCMB (p-chloromercuribenzoic acid). Similar trend was also observed with GVACV in the presence of bestatin. IC(50) values of PCMB and bestatin for VACV and GVACV were found to be 3.81+/-0.94 and 0.34+/-0.08muM respectively. Eserine, tetraethyl pyrophosphate (TEPP) and diisopropyl fluorophosphate (DFP) also produced significant inhibition of VACV hydrolysis. Transport of VACV and GVACV across cornea showed decreased metabolic rate and modulation of transport in presence of PCMB and bestain respectively. The principle enzyme classes responsible for the hydrolysis of VACV and GVACV were carboxylesterases and aminopeptidases respectively. Enzyme inhibitors modulated the transport and metabolism of prodrugs simultaneously even though their affinity towards prodrugs was distinct. In conclusion, utility of enzyme inhibitors to modulate transport and metabolism of prodrugs appears to be promising strategy for enhancing drug transport across cornea.

  4. Recent Approaches to Modeling Transport of Mercury in Surface Water and Groundwater - Case Study in Upper East Fork Poplar Creek, Oak Ridge, TN - 13349

    SciTech Connect

    Bostick, Kent; Daniel, Anamary; Tachiev, Georgio; Malek-Mohammadi, Siamak

    2013-07-01

    In this case study, groundwater/surface water modeling was used to determine efficacy of stabilization in place with hydrologic isolation for remediation of mercury contaminated areas in the Upper East Fork Poplar Creek (UEFPC) Watershed in Oak Ridge, TN. The modeling simulates the potential for mercury in soil to contaminate groundwater above industrial use risk standards and to contribute to surface water contamination. The modeling approach is unique in that it couples watershed hydrology with the total mercury transport and provides a tool for analysis of changes in mercury load related to daily precipitation, evaporation, and runoff from storms. The model also allows for simulation of colloidal transport of total mercury in surface water. Previous models for the watershed only simulated average yearly conditions and dissolved concentrations that are not sufficient for predicting mercury flux under variable flow conditions that control colloidal transport of mercury in the watershed. The transport of mercury from groundwater to surface water from mercury sources identified from information in the Oak Ridge Environmental Information System was simulated using a watershed scale model calibrated to match observed daily creek flow, total suspended solids and mercury fluxes. Mercury sources at the former Building 81-10 area, where mercury was previously retorted, were modeled using a telescopic refined mesh with boundary conditions extracted from the watershed model. Modeling on a watershed scale indicated that only source excavation for soils/sediment in the vicinity of UEFPC had any effect on mercury flux in surface water. The simulations showed that colloidal transport contributed 85 percent of the total mercury flux leaving the UEFPC watershed under high flow conditions. Simulation of dissolved mercury transport from liquid elemental mercury and adsorbed sources in soil at former Building 81-10 indicated that dissolved concentrations are orders of magnitude

  5. A review of approaches to estimate wildfire plume injection height within large-scale atmospheric chemical transport models

    NASA Astrophysics Data System (ADS)

    Paugam, R.; Wooster, M.; Freitas, S.; Martin, M. Val

    2016-01-01

    Landscape fires produce smoke containing a very wide variety of chemical species, both gases and aerosols. For larger, more intense fires that produce the greatest amounts of emissions per unit time, the smoke tends initially to be transported vertically or semi-vertically close by the source region, driven by the intense heat and convective energy released by the burning vegetation. The column of hot smoke rapidly entrains cooler ambient air, forming a rising plume within which the fire emissions are transported. The characteristics of this plume, and in particular the height to which it rises before releasing the majority of the smoke burden into the wider atmosphere, are important in terms of how the fire emissions are ultimately transported, since for example winds at different altitudes may be quite different. This difference in atmospheric transport then may also affect the longevity, chemical conversion, and fate of the plumes chemical constituents, with for example very high plume injection heights being associated with extreme long-range atmospheric transport. Here we review how such landscape-scale fire smoke plume injection heights are represented in larger-scale atmospheric transport models aiming to represent the impacts of wildfire emissions on component of the Earth system. In particular we detail (i) satellite Earth observation data sets capable of being used to remotely assess wildfire plume height distributions and (ii) the driving characteristics of the causal fires. We also discuss both the physical mechanisms and dynamics taking place in fire plumes and investigate the efficiency and limitations of currently available injection height parameterizations. Finally, we conclude by suggesting some future parameterization developments and ideas on Earth observation data selection that may be relevant to the instigation of enhanced methodologies aimed at injection height representation.

  6. A review of approaches to estimate wildfire plume injection height within large scale atmospheric chemical transport models - Part 1

    NASA Astrophysics Data System (ADS)

    Paugam, R.; Wooster, M.; Freitas, S. R.; Martin, M. Val

    2015-03-01

    Landscape fires produce smoke containing a very wide variety of chemical species, both gases and aerosols. For larger, more intense fires that produce the greatest amounts of emissions per unit time, the smoke tends initially to be transported vertically or semi-vertically close by the source region, driven by the intense heat and convective energy released by the burning vegetation. The column of hot smoke rapidly entrains cooler ambient air, forming a rising plume within which the fire emissions are transported. This characteristics of this plume, and in particular the height to which it rises before releasing the majority of the smoke burden into the wider atmosphere, are important in terms of how the fire emissions are ultimately transported, since for example winds at different altitudes maybe quite different. This difference in atmospheric transport then may also affect the longevity, chemical conversion and fate of the plumes chemical consituents, with for example very high plume injection heights being associated with extreme long-range atmospheric transport. Here we review how such landscape-scale fire smoke plume injection heights are represented in larger scale atmospheric transport models aiming to represent the impacts of wildfire emissions on component of the Earth system. The use of satellite Earth observation (EO) data is commonly used for this, and detail the EO datasets capable of being used to remotely assess wildfire plume height distributions and the driving characteristics of the causal fires. We also discus both the physical mechanisms and dynamics taking place in fire plumes, and investigate the efficiency and limitations of currently available injection height parameterizations. Finally, we conclude by suggestion some future parameterization developments and ideas on EO data selection that maybe relevant to the instigation of enhanced methodologies aimed at injection height representation.

  7. Assessment of Historic Trend in Mobility and Energy Use in India Transportation Sector Using Bottom-up Approach

    SciTech Connect

    Zhou, Nan; McNeil, Michael A.

    2009-05-01

    Transportation mobility in India has increased significantly in the past decades. From 1970 to 2000, motorized mobility (passenger-km) has risen by 888%, compared with an 88% population growth (Singh,2006). This contributed to many energy and environmental issues, and an energy strategy incorporates efficiency improvement and other measures needs to be designed. Unfortunately, existing energy data do not provide information on driving forces behind energy use and sometime show large inconsistencies. Many previous studies address only a single transportation mode such as passenger road travel; did not include comprehensive data collection or analysis has yet been done, or lack detail on energy demand by each mode and fuel mix. The current study will fill a considerable gap in current efforts, develop a data base on all transport modes including passenger air and water, and freight in order to facilitate the development of energy scenarios and assess significance of technology potential in a global climate change model. An extensive literature review and data collection has been done to establish the database with breakdown of mobility, intensity, distance, and fuel mix of all transportation modes. Energy consumption was estimated and compared with aggregated transport consumption reported in IEA India transportation energy data. Different scenarios were estimated based on different assumptions on freight road mobility. Based on the bottom-up analysis, we estimated that the energy consumption from 1990 to 2000 increased at an annual growth rate of 7% for the mid-range road freight growth case and 12% for the high road freight growth case corresponding to the scenarios in mobility, while the IEA data only shows a 1.7% growth rate in those years.

  8. A morphological-approach for two-phase porous medium-transport and optimum design applications in energy engineering

    SciTech Connect

    Travkin, V.S.; Gratton, L.; Catton, I.

    1994-12-31

    Design optimization procedures for transport in porous structures that can be used in different engineering fields are developed for applications ranging from heat and mass exchangers and reactors in mechanical engineering design to environmental engineering usage. Using second order turbulent models, equation sets are obtained for turbulent filtration and two-temperature or two-concentration diffusion in non-isotropic porous media and interphase exchange and micro-roughness. The basis for transforming the integral-differential transport equations into differential equations with probability density functions governing their coefficients and source terms is accomplished by prescribing the statistical structure of the capillary or globular porous medium morphology. Though several different closure models for the source terms for uniform, non-uniform, non-isotropic and specifically random non-isotropic highly porous layers have been successfully developed, quite different situations arise when attempting to describe processes occurring in irregular or random morphologies. Results, obtained with the help of exact closure modeling for canonical morphologies, open a new field of possibilities for searching for optimal designs of spatial heterogeneous transport structures. A way to find and govern momentum transport through a capillary nonintersecting medium by altering its morphometric characteristics is given as validation of the process.

  9. Interaction of Dopamine Transporter Gene and Observed Parenting Behaviors on Attention-Deficit/Hyperactivity Disorder: A Structural Equation Modeling Approach

    ERIC Educational Resources Information Center

    Li, James J.; Lee, Steve S.

    2013-01-01

    Emerging evidence suggests that some individuals may be simultaneously more responsive to the effects from environmental adversity "and" enrichment (i.e., differential susceptibility). Given that parenting behavior and a variable number tandem repeat polymorphism in the 3'untranslated region of the dopamine transporter (DAT1) gene are…

  10. Environmental impact assessment of transportation projects: An analysis using an integrated GIS, remote sensing, and spatial modeling approach

    NASA Astrophysics Data System (ADS)

    El-Gafy, Mohamed Anwar

    Transportation projects will have impact on the environment. The general environmental pollution and damage caused by roads is closely associated with the level of economic activity. Although Environmental Impact Assessments (EIAs) are dependent on geo-spatial information in order to make an assessment, there are no rules per se how to conduct an environmental assessment. Also, the particular objective of each assessment is dictated case-by-case, based on what information and analyses are required. The conventional way of Environmental Impact Assessment (EIA) study is a time consuming process because it has large number of dependent and independent variables which have to be taken into account, which also have different consequences. With the emergence of satellite remote sensing technology and Geographic Information Systems (GIS), this research presents a new framework for the analysis phase of the Environmental Impact Assessment (EIA) for transportation projects based on the integration between remote sensing technology, geographic information systems, and spatial modeling. By integrating the merits of the map overlay method and the matrix method, the framework analyzes comprehensively the environmental vulnerability around the road and its impact on the environment. This framework is expected to: (1) improve the quality of the decision making process, (2) be applied both to urban and inter-urban projects, regardless of transport mode, and (3) present the data and make the appropriate analysis to support the decision of the decision-makers and allow them to present these data to the public hearings in a simple manner. Case studies, transportation projects in the State of Florida, were analyzed to illustrate the use of the decision support framework and demonstrate its capabilities. This cohesive and integrated system will facilitate rational decisions through cost effective coordination of environmental information and data management that can be tailored to

  11. Motion simulator study of longitudinal stability requirements for large delta wing transport airplanes during approach and landing with stability augmentation systems failed

    NASA Technical Reports Server (NTRS)

    Snyder, C. T.; Fry, E. B.; Drinkwater, F. J., III; Forrest, R. D.; Scott, B. C.; Benefield, T. D.

    1972-01-01

    A ground-based simulator investigation was conducted in preparation for and correlation with an-flight simulator program. The objective of these studies was to define minimum acceptable levels of static longitudinal stability for landing approach following stability augmentation systems failures. The airworthiness authorities are presently attempting to establish the requirements for civil transports with only the backup flight control system operating. Using a baseline configuration representative of a large delta wing transport, 20 different configurations, many representing negative static margins, were assessed by three research test pilots in 33 hours of piloted operation. Verification of the baseline model to be used in the TIFS experiment was provided by computed and piloted comparisons with a well-validated reference airplane simulation. Pilot comments and ratings are included, as well as preliminary tracking performance and workload data.

  12. A virtual high-throughput screening approach to the discovery of novel inhibitors of the bacterial leucine transporter, LeuT.

    PubMed

    Simmons, Katie J; Gotfryd, Kamil; Billesbølle, Christian B; Loland, Claus J; Gether, Ulrik; Fishwick, Colin W G; Johnson, A Peter

    2013-03-01

    Membrane proteins are intrinsically involved in both human and pathogen physiology, and are the target of 60% of all marketed drugs. During the past decade, advances in the studies of membrane proteins using X-ray crystallography, electron microscopy and NMR-based techniques led to the elucidation of over 250 unique membrane protein crystal structures. The aim of the European Drug Initiative for Channels and Transporter (EDICT) project is to use the structures of clinically significant membrane proteins for the development of lead molecules. One of the approaches used to achieve this is a virtual high-throughput screening (vHTS) technique initially developed for soluble proteins. This paper describes application of this technique to the discovery of inhibitors of the leucine transporter (LeuT), a member of the neurotransmitter:sodium symporter (NSS) family.

  13. Do ATP-binding cassette transporters cause pharmacoresistance in epilepsy? Problems and approaches in determining which antiepileptic drugs are affected.

    PubMed

    Löscher, Wolfgang; Luna-Tortós, Carlos; Römermann, Kerstin; Fedrowitz, Maren

    2011-01-01

    Resistance to multiple antiepileptic drugs (AEDs) is a common problem in epilepsy, affecting at least 30% of patients. One prominent hypothesis to explain this resistance suggests an inadequate penetration or excess efflux of AEDs across the blood - brain barrier (BBB) as a result of overexpressed efflux transporters such as P-glycoprotein (Pgp), the encoded product of the multidrug resistance- 1 (MDR1, ABCB1) gene. Pgp and MDR1 are markedly increased in epileptogenic brain tissue of patients with AED-resistant partial epilepsy and following seizures in rodent models of partial epilepsy. In rodent models, AED-resistant rats exhibit higher Pgp levels than responsive animals; increased Pgp expression is associated with lower brain levels of AEDs; and, most importantly, co-administration of Pgp inhibitors reverses AED resistance. Thus, it is reasonable to conclude that Pgp plays a significant role in mediating resistance to AEDs in rodent models of epilepsy - however, whether this phenomenon extends to at least some human refractory epilepsy remains unclear, particularly because it is still a matter of debate which AEDs, if any, are transported by human Pgp. The difficulty in determining which AEDs are substrates of human Pgp is mainly a consequence of the fact that AEDs are highly permeable compounds, which are not easily identified as Pgp substrates in in vitro models of the BBB, such as monolayer (Transwell(®)) efflux assays. By using a modified assay (concentration equilibrium transport assay; CETA), which minimizes the influence of high transcellular permeability, two groups have recently demonstrated that several major AEDs are transported by human Pgp. Importantly, it was demonstrated in these studies that Pgp-mediated transport highly depends on the AED concentration and may not be identified if concentrations below or above the therapeutic range are used. In addition to the efflux transporters, seizure-induced alterations in BBB integrity and activity of

  14. An experimental approach to investigate the transport of ammonia as a fuel contaminant in proton exchange membrane fuel cells

    NASA Astrophysics Data System (ADS)

    Jung, Ryan M.; Cho, Hyun-Seok; Park, Sehkyu; Van Zee, J. W.

    2015-02-01

    Data are presented for the transport of NH3 from the anode to the cathode for various inlet conditions in a N2/N2 laboratory-scale fuel cell at open circuit voltage (OCV). The data were obtained with a material balance technique, which uses an ion selective electrode (ISE) to determine the concentration of ammonium ions. The results show that ammonia did not move across the membrane when the feed to both electrodes was dry. However, with humidified feeds on either side, the ammonia was transported from the anode to the cathode. The data include changes in the relative humidity of the anode inlet and the flowrate on the cathode. The data support a diffusion-solubility mechanism in a N2/N2 system at OCV.

  15. A new approach to time-dependent transport through an interacting quantum dot within the Keldysh formalism.

    PubMed

    Vovchenko, V; Anchishkin, D; Azema, J; Lombardo, P; Hayn, R; Daré, A-M

    2014-01-08

    The time-dependent transport through a nanoscale device consisting of a single spin-degenerate orbital with on-site Coulomb interaction, coupled to two leads, is investigated. Various gate and bias voltage time dependences are considered. The key and new point lies in the proposed way to avoid the difficulties of the usual heavy computation when dealing with two-time Green's functions within the Keldysh formalism. The time-dependent retarded dot Green's functions are evaluated, in an efficient manner within a non-canonical Hubbard I approximation. Calculations of the time-dependent current are then presented in the wide-band limit for different parameter sets. A comparison between the method and the Hartree-Fock approximation is performed as well. It is shown that the latter cannot account reliably for dynamical aspects of transport phenomena.

  16. Simulating Water and Nutrient Transport in an Urbanizing Agricultural Watershed with Lake-Level Regulation Using a Coupled Modeling Approach

    NASA Astrophysics Data System (ADS)

    Chen, X.; Motew, M.; Booth, E.; Carpenter, S. R.; Steven, L. I.; Kucharik, C. J.

    2015-12-01

    The Yahara River basin located in southern Wisconsin is a watershed with long-term eutrophication issues due largely to a thriving dairy industry upstream of the Madison chain of lakes. Steady phosphorus loading from manure production and other sources has contributed directly to blue-green algae blooms and poor water quality in the lakes and river system, and is often viewed as the most important environmental problem to solve in the region. In this study, the daily streamflow and monthly nitrogen (N), sediment and phosphorus (P) transport, as well as the lake levels in the Yahara River basin are simulated using a physically-based hydrologic routing model: the Terrestrial Hydrology Model with Biogeochemistry (THMB). The original model includes representation of water and nitrogen transport but as part of this work, P transport and lake regulation are added into the model. The modified THMB model is coupled with the AgroIBIS-VSF agroecosystem model to represent dynamic coupling between agricultural management in the watershed, and N, P, and sediment transport to lakes and streams. We will present model calibration and validation results that demonstrate the hydrologic routing capability of THMB for a spatial resolution of 220m, several orders of magnitude finer than attempted previously with THMB. The calibrated modeling system is being used to simulate the impacts of climate change and land management on biogeochemistry in the Yahara watershed under four different pathways of change to the year 2070 (Yahara 2070). These scenarios are Abandonment and Renewal, Accelerated Innovation, Connected Communities and Nested Watersheds, which are used to better understand how future decision-making influences the provisioning and trade-offs of ecosystem services.

  17. A reactive transport modelling approach to assess the leaching potential of hydraulic fracturing fluids associated with coal seam gas extraction

    NASA Astrophysics Data System (ADS)

    Mallants, Dirk; Simunek, Jirka; Gerke, Kirill

    2015-04-01

    Coal Seam Gas production generates large volumes of "produced" water that may contain compounds originating from the use of hydraulic fracturing fluids. Such produced water also contains elevated concentrations of naturally occurring inorganic and organic compounds, and usually has a high salinity. Leaching of produced water from storage ponds may occur as a result of flooding or containment failure. Some produced water is used for irrigation of specific crops tolerant to elevated salt levels. These chemicals may potentially contaminate soil, shallow groundwater, and groundwater, as well as receiving surface waters. This paper presents an application of scenario modelling using the reactive transport model for variably-saturated media HP1 (coupled HYDRUS-1D and PHREEQC). We evaluate the fate of hydraulic fracturing chemicals and naturally occurring chemicals in soil as a result of unintentional release from storage ponds or when produced water from Coal Seam Gas operations is used in irrigation practices. We present a review of exposure pathways and relevant hydro-bio-geo-chemical processes, a collation of physico-chemical properties of organic/inorganic contaminants as input to a set of generic simulations of transport and attenuation in variably saturated soil profiles. We demonstrate the ability to model the coupled processes of flow and transport in soil of contaminants associated with hydraulic fracturing fluids and naturally occurring contaminants.

  18. Targeting the mitochondrial electron transport chain in autism, a systematic review and synthesis of a novel therapeutic approach.

    PubMed

    Ghanizadeh, Ahmad; Berk, Michael; Farrashbandi, Hassan; Alavi Shoushtari, Ali; Villagonzalo, Kristi-Ann

    2013-09-01

    Autism is a complex developmental disorder with an unknown etiology and without any curative treatment. The mitochondrial electron transfer chains play a major role in the production of ATP, and the generation and management of reactive oxidative stress (ROS). This paper is a systematic review of the role of the mitochondrial electron transport chain in autism, and a consequent hypothesis for treating autism is synthesized. An electronic search with pre-specified inclusion criteria was conducted in order to retrieve all the published articles about the mitochondrial electron transport chain in autism. The two databases of PUBMED and Google Scholar were searched. From one hundred twenty five retrieved titles, 12 (three case control study and 9 case reports) articles met inclusion criteria. All of the included studies indicated dysfunction of electron transport chain in autism. The mitochondrial electron transfer chain seems impaired in some children with autism and ROS production is additionally enhanced. It is hypothesized that interventions involving alternative electron shuttling may improve autism through lowering the production of ROS. In addition, it is expected that this alternative electron shuttling to cytochrome c might enhance the production of ATP which is impaired in the disorder.

  19. Used Nuclear Fuel Loading and Structural Performance Under Normal Conditions of Transport- Demonstration of Approach and Results on Used Fuel Performance Characterization

    SciTech Connect

    Adkins, Harold; Geelhood, Ken; Koeppel, Brian; Coleman, Justin; Bignell, John; Flores, Gregg; Wang, Jy-An; Sanborn, Scott; Spears, Robert; Klymyshyn, Nick

    2013-09-30

    This document addresses Oak Ridge National Laboratory milestone M2FT-13OR0822015 Demonstration of Approach and Results on Used Nuclear Fuel Performance Characterization. This report provides results of the initial demonstration of the modeling capability developed to perform preliminary deterministic evaluations of moderate-to-high burnup used nuclear fuel (UNF) mechanical performance under normal conditions of storage (NCS) and normal conditions of transport (NCT) conditions. This report also provides results from the sensitivity studies that have been performed. Finally, discussion on the long-term goals and objectives of this initiative are provided.

  20. Comparison of two numerical modelling approaches to a field experiment of unsaturated radon transport in a covered uranium mill tailings soil (Lavaugrasse, France).

    PubMed

    Saâdi, Zakaria; Guillevic, Jérôme

    2016-01-01

    Uncertainties on the mathematical modelling of radon ((222)Rn) transport in an unsaturated covered uranium mill tailings (UMT) soil at field scale can have a great impact on the estimation of the average measured radon exhalation rate to the atmosphere at the landfill cover. These uncertainties are usually attributed to the numerical errors from numerical schemes dealing with soil layering, and to inadequate modelling of physical processes at the soil/plant/atmosphere interface and of the soil hydraulic and transport properties, as well as their parameterization. In this work, we demonstrate how to quantify these uncertainties by comparing simulation results from two different numerical models to experimental data of radon exhalation rate and activity concentration in the soil-gas measured in a covered UMT-soil near the landfill site Lavaugrasse (France). The first approach is based on the finite volume compositional (i.e., water, radon, air) transport model TOUGH2/EOS7Rn (Transport Of Unsaturated Groundwater and Heat version 2/Equation Of State 7 for Radon; Saâdi et al., 2014), while the second one is based on the finite difference one-component (i.e., radon) transport model TRACI (Transport de RAdon dans la Couche Insaturée; Ferry et al., 2001). Transient simulations during six months of variable rainfall and atmospheric air pressure showed that the model TRACI usually overestimates both measured radon exhalation rate and concentration. However, setting effective unsaturated pore diffusivities of water, radon and air components in soil-liquid and gas to their physical values in the model EOS7Rn, allowed us to enhance significantly the modelling of these experimental data. Since soil evaporation has been neglected, none of these two models was able to simulate the high radon peaks observed during the dry periods of summer. However, on average, the radon exhalation rate calculated by EOS7Rn was 34% less than that was calculated by TRACI, and much closer to the

  1. Sharing the responsibility for driver distraction across road transport systems: a systems approach to the management of distracted driving.

    PubMed

    Young, Kristie L; Salmon, Paul M

    2015-01-01

    Distracted driving is acknowledged universally as a large and growing road safety problem. Compounding the problem is that distracted driving is a complex, multifaceted issue influenced by a multitude of factors, organisations and individuals. As such, management of the problem is not straightforward. Numerous countermeasures have been developed and implemented across the globe. The vast majority of these measures have derived from the traditional reductionist, driver-centric approach to distraction and have failed to fully reflect the complex mix of actors and components that give rise to drivers becoming distracted. An alternative approach that is gaining momentum in road safety is the systems approach, which considers all components of the system and their interactions as an integrated whole. In this paper, we review the current knowledge base on driver distraction and argue that the systems approach is not currently being realised in practice. Adopting a more holistic, systems approach to distracted driving will not only improve existing knowledge and interventions from the traditional approach, but will enhance our understanding and management of distraction by considering the complex relationships and interactions of the multiple actors and the myriad sources, enablers and interventions that make up the distracted driving system. It is only by recognising and understanding how all of the system components work together to enable distraction to occur, that we can start to work on solutions to help mitigate the occurrence and consequences of distracted driving.

  2. The role of sediment-transport evaluations for development of modeled instream flows: policy and approach in Texas.

    PubMed

    Heitmuller, Franklin T; Raphelt, Nolan

    2012-07-15

    Instream-flow scientists embrace streamflow as the master variable driving aquatic and riparian ecosystems, and that natural flow variability is imperative for river conservation and restoration efforts. Sediment transport, which is critical for maintenance of physical habitats in rivers and floodplains, has received less direct attention from instream-flow practitioners. This article serves to highlight the roles of sediment-transport evaluations in modifying or verifying instream-flow prescriptions based on hydrology alone. Two examples of sediment-transport evaluations are discussed in relation to the Texas Senate Bill 3 Environmental Flows allocation process, a mandate to "develop environmental flow analyses and a recommended flow regime" that "maintain(s) the viability of the state's streams, rivers, and bay and estuary systems" using "reasonably available science". The first example provides an evaluation of effective discharge of suspended-sediment load of the lower Brazos River. The magnitude and frequency of effective discharge occurs between typical high-flow pulses and overbank flows, indicating that hydrologic and physical processes are not optimally coupled in some flow-regime models. The second example utilizes the Hydrology-Based Environmental Flow Regime (HEFR) model to prescribe instream flows for the lower Sabine River, and compares modeled bed-material loads for observed and HEFR-prescribed flow regimes. Results indicate that annual water and sediment yields are greatly reduced for the modeled flow regime. It should be noted, however, that different input variables to the HEFR model would have resulted in different computations of water and sediment yields, reinforcing that instream-flow practitioners should exercise great caution when applying rule-of-thumb procedures to generate flow prescriptions.

  3. A whole cell bioreporter approach to assess transport and bioavailability of organic contaminants in water unsaturated systems.

    PubMed

    Schamfuß, Susan; Neu, Thomas R; Harms, Hauke; Wick, Lukas Y

    2014-12-24

    Bioavailability of contaminants is a prerequisite for their effective biodegradation in soil. The average bulk concentration of a contaminant, however, is not an appropriate measure for its availability; bioavailability rather depends on the dynamic interplay of potential mass transfer (flux) of a compound to a microbial cell and the capacity of the latter to degrade the compound. In water-unsaturated parts of the soil, mycelia have been shown to overcome bioavailability limitations by actively transporting and mobilizing organic compounds over the range of centimeters. Whereas the extent of mycelia-based transport can be quantified easily by chemical means, verification of the contaminant-bioavailability to bacterial cells requires a biological method. Addressing this constraint, we chose the PAH fluorene (FLU) as a model compound and developed a water unsaturated model microcosm linking a spatially separated FLU point source and the FLU degrading bioreporter bacterium Burkholderia sartisoli RP037-mChe by a mycelial network of Pythium ultimum. Since the bioreporter expresses eGFP in response of the PAH flux to the cell, bacterial FLU exposure and degradation could be monitored directly in the microcosms via confocal laser scanning microscopy (CLSM). CLSM and image analyses revealed a significant increase of the eGFP expression in the presence of P. ultimum compared to controls without mycelia or FLU thus indicating FLU bioavailability to bacteria after mycelia-mediated transport. CLSM results were supported by chemical analyses in identical microcosms. The developed microcosm proved suitable to investigate contaminant bioavailability and to concomitantly visualize the involved bacteria-mycelial interactions.

  4. Nonequilibrium density matrix for quantum transport: Hershfield approach as a McLennan-Zubarev form of the statistical operator.

    PubMed

    Ness, H

    2013-08-01

    In this paper, we formally demonstrate that the nonequilibrium density matrix developed by Hershfield for the steady state has the form of a McLennan-Zubarev nonequilibrium ensemble. The correction term in this pseudoequilibrium Gibbs-like ensemble is directly related to the entropy production in the quantum open system. The fact that both methods state that a nonequilibrium steady state can be mapped onto a pseudoequilibrium, permits us to develop nonequilibrium quantities from formal expressions equivalent to the equilibrium case. We provide an example: the derivation of a nonequilibrium distribution function for the electron population in a scattering region in the context of quantum transport.

  5. Evaluation of soil CO2 production and transport in Duke Forest using a process-based modeling approach

    NASA Astrophysics Data System (ADS)

    Hui, Dafeng; Luo, Yiqi

    2004-12-01

    Soil surface CO2 efflux is an important component of the carbon cycle in terrestrial ecosystems. However, our understanding of mechanistic controls of soil CO2 production and transport is greatly limited. A multilayer process-based soil CO2 efflux model (PATCIS) was used to evaluate soil CO2 production and transport in the Duke Forest. CO2 production in the soil is the sum of root respiration and soil microbial respiration, and CO2 transport in the soil mainly simulates gaseous diffusion. Simulated soil CO2 efflux in the Duke Forest ranged from 5 g CO2 m-2 d-1 in the winter to 25 g CO2 m-2 d-1 in summer. Annual soil CO2 efflux was 997 and 1211 g C m-2 yr-1 in 1997 and 1998, respectively. These simulations were consistent with the observed soil CO2 efflux. Simulated root respiration contributed 53% to total soil respiration. Soil temperature had the dominant influence on soil CO2 production and CO2 efflux while soil moisture only regulated soil CO2 efflux in the summer when soil moisture was very low. Soil CO2 efflux was sensitive to the specific fine root respiratory rate and live fine root biomass. Elevated CO2 increased annual soil CO2 efflux by 26% in 1997 and 18% in 1998, due mainly to the enhanced live fine root biomass and litterfall. On a daily to yearly basis, CO2 production is almost identical to CO2 efflux, suggesting that CO2 transport is not a critical process regulating daily and long-term soil surface CO2 effluxes in the Duke Forest. We also developed a statistical model of soil CO2 efflux with soil temperature and moisture. Daily soil CO2 efflux estimation by the statistical model showed a similar pattern to the simulated soil CO2 efflux, but the total annual CO2 efflux was slightly lower. While the statistical model is simple, yet powerful, in simulating seasonal dynamics of soil CO2 efflux, the process-based model has the potential to advance our mechanistic understanding of soil CO2 efflux variations in the current and future worlds.

  6. An efficient nonequilibrium Green's function formalism combined with density functional theory approach for calculating electron transport properties of molecular devices with quasi-one-dimensional electrodes.

    PubMed

    Qian, Zekan; Li, Rui; Hou, Shimin; Xue, Zengquan; Sanvito, Stefano

    2007-11-21

    An efficient self-consistent approach combining the nonequilibrium Green's function formalism with density functional theory is developed to calculate electron transport properties of molecular devices with quasi-one-dimensional (1D) electrodes. Two problems associated with the low dimensionality of the 1D electrodes, i.e., the nonequilibrium state and the uncertain boundary conditions for the electrostatic potential, are circumvented by introducing the reflectionless boundary conditions at the electrode-contact interfaces and the zero electric field boundary conditions at the electrode-molecule interfaces. Three prototypical systems, respectively, an ideal ballistic conductor, a high resistance tunnel junction, and a molecular device, are investigated to illustrate the accuracy and efficiency of our approach.

  7. Fixed-base simulation study of decoupled longitudinal controls during approach and landing of a medium jet transport in the presence of wind shear

    NASA Technical Reports Server (NTRS)

    Miller, G. K., Jr.

    1979-01-01

    The use of decoupled longitudinal controls during the approach and landing of a typical twin-engine jet transport in the presence of wind shear was studied. The simulation included use of a localizer and flight director to capture and maintain a 3 deg glide slope. The pilot then completed the landing by using visual cues provided below an altitude of 200 m by closed-circuit television and a terrain model. The decoupled controls used constant prefilter and feedback gains to provide steady state decoupling of flight path angle, pitch angle, and forward velocity. The use of the decoupled control system improved pilot performance during the approach and at touchdown in the presence of wind shears. The pilots preferred the decoupled controls and rated the task 1 to 3 increments better on a pilot rating scale, depending on wind conditions, than was the case when conventional controls were used.

  8. Evaluation of Flying Qualities and Guidance Displays for an Advanced Tilt-Wing STOL Transport Aircraft in Final Approach and Landing

    NASA Technical Reports Server (NTRS)

    Frost, Chad R.; Franklin, James A.; Hardy, Gordon H.

    2002-01-01

    A piloted simulation was performed on the Vertical Motion Simulator at NASA Ames Research Center to evaluate flying qualities of a tilt-wing Short Take-Off and Landing (STOL) transport aircraft during final approach and landing. The experiment was conducted to assess the design s handling qualities, and to evaluate the use of flightpath-centered guidance for the precision approach and landing tasks required to perform STOL operations in instrument meteorological conditions, turbulence, and wind. Pilots rated the handling qualities to be satisfactory for all operations evaluated except those encountering extreme crosswinds and severe windshear; even in these difficult meteorological conditions, adequate handling qualities were maintained. The advanced flight control laws and guidance displays provided consistent performance and precision landings.

  9. The Explicit-Cloud Parameterized-Pollutant Hybrid Approach for Aerosol-Cloud Interactions in Multiscale Modelling Framework Models: Tracer Transport Results

    SciTech Connect

    Gustafson, William I.; Berg, Larry K.; Easter, Richard C.; Ghan, Steven J.

    2008-05-30

    All estimates of aerosol indirect effects on the global energy balance have either completely neglected the influence of aerosol on convective clouds or treated the influence in a highly parameterized manner. Embedding cloud-resolving models (CRMs) within each grid cell of a global model provides a multiscale modelling framework for treating both the influence of aerosols on convective as well as stratiform clouds and the influence of all clouds on the aerosol, but treating the interactions explicitly by simulating all aerosol processes in the CRM would be computationally prohibitive. An alternate approach is to use horizontal statistics (e.g., cloud mass flux, cloud fraction, and precipitation) from the CRM simulation to drive a single-column parameterization of cloud effects on the aerosol and then use the aerosol profile to simulate aerosol effects on clouds within the CRM. Here we test this concept for vertical transport by clouds, using a CRM with tracer transport simulated explicitly to serve as a benchmark. We show that this parameterization, driven by the CRM’s cloud mass fluxes, reproduces the tracer transport by the CRM significantly better than a single column model that uses a conventional convective cloud parameterization.

  10. Contaminant transport in riverbank filtration in the presence of dissolved organic matter and bacteria: a kinetic approach

    NASA Astrophysics Data System (ADS)

    Kim, Song-Bae; Corapcioglu, M. Yavuz

    2002-09-01

    In riverbank filtration, the removal of organic contaminants is an important task for the production of good quality drinking water. The transport of an organic contaminant in riverbank filtration can be retarded by sorption on to the solid matrix and facilitated by the presence of mobile colloids. In the presence of dissolved organic matter (DOM) and bacteria, the subsurface environment can be modeled as a four-phase porous medium: two mobile colloidal phases, an aqueous phase, and a solid matrix. In this study, a kinetic model is developed to simulate the contaminant transport in riverbank filtration in the presence of DOM and bacteria. The bacterial deposition and the contaminant sorption on bacteria and DOM are expressed with kinetic expressions. The model equations are solved numerically with a fully implicit finite difference method. Simulation results show that the contaminant mobility increases greatly in riverbank filtration due to the presence of DOM. The mobility can be enhanced further when the bacteria and DOM are present together in the aquifer. In this system, the total aqueous phase contaminant concentration, Cct+, includes the contaminant dissolved in the aqueous phase, Cc+, the contaminant sorbed to DOM, σcd+, and the contaminant sorbed to mobile bacteria, Cb+σcbm+, (i.e. Cct+= Cc++ σcd++ Cb+σcbm+). Sensitivity analysis illustrates that the distribution of the total aqueous phase contaminants among the dissolved phase, DOM and bacteria is changed significantly with various Damköhler numbers related to the contaminant sorption on mobile colloids.

  11. A proteomic approach to study Salmonella enterica serovar Typhimurium putative transporter YjeH associated with ceftriaxone resistance

    SciTech Connect

    Hu, Wensi S. Lin, Y.-H.; Shih, C.-C.

    2007-09-28

    Mutant 6B7 of Salmonella enterica serovar Typhimurium has a transposon inserted in the putative transporter gene yjeH and shows a more-than-fourfold reduction in resistance to ceftriaxone. In this report we have used proteomic analysis to compare outer membrane protein profiles between this mutant and its parental strain R200. Five identified proteins were found to be altered. Of these proteins, the level of expression of the porin OmpD was increased and those of the putative outer membrane proteins STM1530 and STM3031, a subunit of the proton-pumping oxidoreductase NuoB and the heat shock protein MopA were decreased in 6B7 strain. Although the function of the yjeH gene remains unknown, a complementation assay suggested that the OmpD, STM1530, STM3031, NuoB, and MopA proteins are associated with ceftriaxone resistance and the expression of these proteins is influenced by the putative transporter gene yjeH in S. enterica serovar Typhimurium.

  12. A steady-state approach for evaluating the impact of solute transport through composite liners on groundwater quality.

    PubMed

    Foose, Gary J

    2010-01-01

    New adaptations of analytical equations for predicting the impact of solute transport through composite landfill liners on groundwater quality for steady-state conditions are presented. Analytical equations are developed for evaluating average concentration and mass flow rate in an underlying aquifer resulting from diffusion of volatile organic compounds (VOCs) through intact composite liners and transport of inorganic constituents through defects in composite liners. The equations are applied to evaluate the effectiveness and equivalency of composite liners having either a 0.6 m-thick compacted soil liner or a 6.5 mm-thick geosynthetic clay liner (GCL) overlying an intermediate attenuation layer and an aquifer having horizontal flow. Example analyses for designing composite liners meeting particular performance criteria are also provided. The analytical equations are relatively simple to apply and can be used for preliminary design and analysis, to evaluate experimental results, and to possibly verify more complex numerical models for evaluating the impact of landfills on groundwater quality if consistency of the assumptions of the analytical equations and the more complex numerical models can be specified.

  13. Hierarchical equations of motion approach to transport through an Anderson impurity coupled to interacting Luttinger liquid leads

    NASA Astrophysics Data System (ADS)

    Okamoto, Jun-ichi; Mathey, Ludwig; Härtle, Rainer

    2016-12-01

    We generalize the hierarchical equations of motion method to study electron transport through a quantum dot or molecule coupled to one-dimensional interacting leads that can be described as Luttinger liquids. Such leads can be realized, for example, by quantum wires or fractional quantum Hall edge states. In comparison to noninteracting metallic leads, Luttinger liquid leads involve many-body correlations and the single-particle tunneling density of states shows a power-law singularity at the chemical potential. Using the generalized hierarchical equations of motion method, we assess the importance of the singularity and the next-to-leading order many-body correlations. To this end, we compare numerically converged results with second- and first-order results of the hybridization expansion that is inherent to our method. As a test case, we study transport through a single-level quantum dot or molecule that can be described by an Anderson impurity model. Cotunneling effects turn out to be most pronounced for attractive interactions in the leads or repulsive ones if an excitonic coupling between the dot and the leads is realized. We also find that an interaction-induced negative differential conductance near the Coulomb blockade thresholds is slightly suppressed as compared to a first-order and/or rate equation result. Moreover, we find that the two-particle (n -particle) correlations enter as a second-order (n -order) effect and are, thus, not very pronounced at the high temperatures and parameters that we consider.

  14. Flight investigation of approach and flare from simulated breakout altitude of a subsonic jet transport and comparison with analytical models

    NASA Technical Reports Server (NTRS)

    Matheny, N. W.

    1974-01-01

    Satisfactory and optimum flare windows are defined from pilot ratings and comments. Maximum flare normal accelerations, touchdown rates of sink, and total landing maneuver time increments are summarized as a function of approach airspeed margin (with respect to reference airspeed) and flare initiation altitude. The effects of two thrust management techniques are investigated. Comparisons are made with predictions from three analytical models and the results of a simulator study. The approach speed margin was found to have a greater influence on the flare initiation altitude than the absolute airspeed. The optimum airspeed was between the reference airspeed and the reference airspeed plus 10 knots. The optimum flare initiation altitude range for unrestricted landings was from 11 meters to 20 meters (36 feet to 66 feet), and the landing time in the optimum window was 8 seconds. The duration of the landing maneuver increased with increasing flare initiation altitude and with increasing speed margins on the approach.

  15. Jet transport noise - A comparison of predicted and measured noise for ILS and two-segment approaches

    NASA Technical Reports Server (NTRS)

    White, K. C.; Bourquin, K. R.

    1974-01-01

    Centerline noise measured during standard ILS and two-segment approaches in DC-8-61 aircraft were compared with noise predicted for these procedures using an existing noise prediction technique. Measured data is considered to be in good agreement with predicted data. Ninety EPNdB sideline locations were calculated from flight data obtained during two-segment approaches and were compared with predicted 90 EPNdB contours that were computed using three different models for excess ground attenuation and a contour with no correction for ground attenuation. The contour not corrected for ground attenuation was in better agreement with the measured data.

  16. Understanding solute transport at catchment scales by using a synthesis of bottom-up and top-down modelling approaches

    NASA Astrophysics Data System (ADS)

    Selle, Benny; Schwientek, Marc; Osenbrück, Karsten

    2013-04-01

    The understanding of flow paths and travel times of water and solutes in catchments can be substantially improved by a combination of bottom-up and top-down modelling approaches. This hypothesis was tested for the 180 km² Ammer catchment in south-western Germany in which the landuse is dominated by agricultural and urban areas. The Ammer River with a mean discharge of 1 m³/s is mainly fed by springs from karstified and fractured aquifers. A limestone aquifer is extensively used for groundwater production. As a first step, we analysed measured concentrations of major ions, selected organic micro-pollutants and environmental tracers for surface water, springs and deep groundwater from wells using typical top-down approaches such as principal component analysis and lumped parameter models. From these approaches, we gained an initial understanding of water and solute fluxes in the catchment. The initial hypotheses on subsurface flow paths and travel times were subsequently tested using a numerical, 3-D groundwater model as a typical bottom-up approach. Our synthesis of top-down and bottom-up approaches provided us with a reliable picture of the dominant processes governing water and solute fluxes in the Ammer catchment. Several spring waters indicated mixing with wastewater. These contaminations were indentified to be caused by either recharge of surface water or leaky sewer systems. Deep percolation below the plant root zone polluted with agrochemicals was found to affect most springs and surface waters resulting in nitrate concentrations of approximately 30 mg/l. This process also influenced some of the drinking-water wells, although water quality for most of these wells is still relatively high due to some attenuation of pollutants but - above all - due to a significant proportion of groundwater with ages > 50 years. However, water quality will likely decrease if contaminants break through and/or conditions for microbiological attenuation process will deteriorate

  17. GW approach to electron-electron interactions within the Anderson impurity model: Kondo correlated quantum transport through two coupled molecules

    NASA Astrophysics Data System (ADS)

    Aksu, H.; Goker, A.

    2017-03-01

    We invoke the nonequilibrium self-consistent GW method within the Anderson impurity model to investigate the dynamical effects occurring in a nanojunction comprised of two coupled molecules. Contrary to the previous single impurity model calculations based on the GW approximation, we observe that the density of states manages to capture both the Kondo resonance and the Breit-Wigner resonances associated with the HOMO and LUMO levels of the molecule. Moreover, the prominence of the Kondo resonance grows dramatically upon switching from the intermediate to the weak coupling regime involving large U / Γ values. The conductance is calculated as a function of the HOMO level and the applied bias across the molecular nanojunction. Calculated conductance curves deviate from the monotonic decay behaviour as a function of the bias when the half-filling condition is not met. The importance of the effect of the molecule-molecule coupling for the electron transport phenomena is also investigated.

  18. Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems

    NASA Astrophysics Data System (ADS)

    Zelovich, Tamar; Hansen, Thorsten; Liu, Zhen-Fei; Neaton, Jeffrey B.; Kronik, Leeor; Hod, Oded

    2017-03-01

    A parameter-free version of the recently developed driven Liouville-von Neumann equation [T. Zelovich et al., J. Chem. Theory Comput. 10(8), 2927-2941 (2014)] for electronic transport calculations in molecular junctions is presented. The single driving rate, appearing as a fitting parameter in the original methodology, is replaced by a set of state-dependent broadening factors applied to the different single-particle lead levels. These broadening factors are extracted explicitly from the self-energy of the corresponding electronic reservoir and are fully transferable to any junction incorporating the same lead model. The performance of the method is demonstrated via tight-binding and extended Hückel calculations of simple junction models. Our analytic considerations and numerical results indicate that the developed methodology constitutes a rigorous framework for the design of "black-box" algorithms to simulate electron dynamics in open quantum systems out of equilibrium.

  19. Impact of stratospheric intrusions and intercontinental transport on ozone at Jungfraujoch in 2005: comparison and validation of two Lagrangian approaches

    NASA Astrophysics Data System (ADS)

    Cui, J.; Sprenger, M.; Staehelin, J.; Siegrist, A.; Kunz, M.; Henne, S.; Steinbacher, M.

    2009-01-01

    The particle dispersion model FLEXPART and the trajectory model LAGRANTO are Lagrangian models which are widely used to study synoptic-scale atmospheric air flows such as stratospheric intrusions (SI) and intercontinental transport (ICT). In this study, we focus on SI and ICT events particularly from the North American planetary boundary layer for the Jungfraujoch (JFJ) measurement site, Switzerland, in 2005. Two representative cases of SI and ICT are identified based on measurements recorded at Jungfraujoch and are compared with FLEXPART and LAGRANTO simulations, respectively. Both models well capture the events, showing good temporal agreement between models and measurements. In addition, we investigate the performance of FLEXPART and LAGRANTO on representing SI and ICT events over the entire year 2005 in a statistical way. We found that the air at JFJ is influenced by SI during 19% (FLEXPART) and 18% (LAGRANTO), and by ICT from the North American planetary boundary layer during 13% (FLEXPART) and 12% (LAGRANTO) of the entire year. Through intercomparsion with measurements, our findings suggest that both FLEXPART and LAGRANTO are well capable of representing SI and ICT events if they last for more than 12 h, whereas both have problems on representing short events. It is also shown that although the long-range transported air is characterized by relatively low NOy/CO ratios and elevated CO concentrations, using a combination of NOy/CO and CO as control parameters still encounters difficulty in distinguishing aged air masses by their source regions. Moreover, a sensitivity study indicates that the agreement between models and measurements depends significantly on the threshold values applied to the individual control parameters. Generally, the less strict the thresholds are, the better the agreement between models and measurements. Although the dependence of the agreement on the threshold values is appreciable, it nevertheless confirms the conclusion that both

  20. Computational transport phenomena in bioprocessing with the approach of the optimized source term in the governing equations

    NASA Astrophysics Data System (ADS)

    De Bonis, Maria Valeria; Ruocco, Gianpaolo

    2012-09-01

    Progress in the modeling of bio and food industry processes can be achieved by developing robust and efficient codes. Even complex configurations can be tackled, featuring multiphysics mechanisms that are interdependent or even competing with each other. In this paper the use of optimized "source terms" of the governing partial differential equations are discussed, reporting on simulation results. The related framework is addressed, as well as the potential of the adopted approach.

  1. Short-pulsed laser transport in absorbing and scattering media: time-based versus frequency-based approaches

    NASA Astrophysics Data System (ADS)

    Francoeur, Mathieu; Rousse, Daniel R.

    2007-09-01

    Optical tomography (OT) is a promising non-intrusive characterization technique of absorbing and scattering media that uses transmitted and/or reflected signals of samples irradiated with visible or near-infrared light. The quality of OT techniques is directly related to the accuracy of their forward models due to the use of inversion algorithms. In this paper, forward models for transient OT approaches are investigated. The system under study involves a one-dimensional absorbing and scattering medium illuminated by a short laser pulse; this problem is solved using a discrete ordinates-finite volume (DO-FV) method in both time and frequency domain. Previous works have shown that time-domain approaches coupled with first order spatial interpolation schemes cannot represent the physics of the problem adequately as transmitted fluxes emerge before the minimal physical time required to leave the medium. In this work, the Van Leer and Superbee flux limiters, combined with the second order Lax-Wendroff scheme, are used in an attempt to prevent this. Results show that despite significant improvement, flux limiters fail to completely eliminate the physically unrealistic behaviour. On the other hand, results for transmittance obtained from the frequency-based method are accurate, without physically unrealistic behaviours at early time periods. The frequency-dependent approach is however computationally expensive, since it requires approximately five times more computational time than its temporal counterpart when used as a forward model for transient OT. On the other hand, the great advantages of the frequency-based approach is that limited windows of temporal signals can be calculated efficiently (in transient OT), and it can also be used as a forward model for steady-state, frequency-based and transient OT techniques.

  2. Transport in asymmetrically branched structures: A statistical mechanical approach to structure-function relations in the lung

    NASA Astrophysics Data System (ADS)

    Majumdar, Arnab

    The mammalian lung consists of an asymmetric binary tree through which air is transported to the gas exchange units, called alveoli. In this thesis; we study the asymmetric bifurcation of the airway tree and develop models of the transport processes and relations describing the connection between lung inflation and branching structure. We examine the branching pattern of the airway tree of four mammalian species and demonstrate that the bifurcations are self-similar. We derive closed form expressions for the distribution of airway diameters as a function of generation number utilizing an asymmetric flow-division model. Our findings suggest that the empirically observed structural heterogeneity of the airway tree can be explained by simple deterministic rules of the branching pattern. In lung diseases, airways can close during expiration. During inspiration, these closures reopen in avalanches, leading to a series of discrete increments in lung volume with increasing pressure. To reproduce the experimental pressure-volume (P-V) relations of the lungs, we develop a model consisting of an asymmetric bifurcating structure with random blockages that can be removed by the pressure of the fluid. We show that the P-V relations can be decomposed into a linear superposition of paths connecting the root of the tree to the alveoli. We solve the inverse problem to estimate the underlying path length distribution of the tree by analyzing experimental P-V curves. This distribution agrees well with available morphometric data on airway structure. When some airways collapse during expiration, the downstream sub-tree becomes isolated from the root trapping air behind the closure. Consequently, the P-V curve develops hysteresis. We obtain analytical solutions for this hysteretic behavior and the amount of trapped gas during deflation. The opening of collapsed airways is an explosive process generating an audible sound, called crackle. We derive a relationship between the amplitude of

  3. A multi-methodological approach to study the temporal and spatial distribution of air quality related to road transport emissions in Madrid, Spain

    NASA Astrophysics Data System (ADS)

    Perez, Pedro; Miranda, Regina

    2013-04-01

    emission inventory, together with the mobile source's parameters and the disaggregated transport activity data. The paper will also identify emission and concentration differences and gradients of certain magnitude/factor (e.g. comparison between estimated ATPs hourly concentrations in Madrid City Center and in the peripheries). Furthermore, because of the higher contribution of road mobile sources to GHGs and ATPs emissions in Madrid, small gradients between urban highways and residential areas will be expected. Second, the paper objectives are to develop valid methods and approaches to measure air quality and to develop valid road transport emission inventories to assess correlations between external costs, epidemiology and emissions in order to reveal how traffic pollution affects people exposure to key contaminants and disease development, and identify susceptible emission scenarios and health impacts. We have conducted general emission inventory studies providing preliminary evidence of regional road transport air pollution impacts on external cost growth and disease development. Third, we also aim to demonstrate short and long-term impacts of road transport emissions on external costs development using innovative multi-methodological methods interfaced with environmental chemistry and meteorology following meteorological and chemical fields with contrasting high/low traffic emissions in several linked components involving: air pollutant assessment using local measurements, height of the boundary layer, meteorological environment interactions on external costs and epidemiology, mapping of Madrid (identifying gradients of emissions), integrative causal modeling using statistical models, and trend and scenario analyses on external costs and impacts on human health. Meteorological and chemical fields will be obtained from local records collected by surface meteorological and air quality stations. These two sets of fields define the horizontal and vertical profiles of

  4. New Physical Deposition Approach for Low Cost Inorganic Hole Transport Layer in Normal Architecture of Durable Perovskite Solar Cells.

    PubMed

    Nejand, Bahram Abdollahi; Ahmadi, Vahid; Shahverdi, Hamid Reza

    2015-10-07

    In this work we reported sputter deposited NiOx/Ni double layer as an HTM/contact couple in normal architecture of perovskite solar cell. A perovskite solar cell that is durable for more than 60 days was achieved, with increasing efficiency from 1.3% to 7.28% within 6 days. Moreover, low temperature direct deposition of NiOx layer on perovskite layer was introduced as a potential hole transport material for an efficient cost-effective solar cell applicable for various morphologies of perovskite layers, even for perovskite layers containing pinholes, which is a notable challenge in perovskite solar cells. The angular deposition of NiOx layers by dc reactive magnetron sputtering showed uniform and crack-free coverage of the perovskite layer with no negative impact on perovskite structure that is suitable for nickel back contact layer, surface shielding against moisture, and mechanical damages. Replacing the expensive complex materials in previous perovskite solar cells with low cost available materials introduces cost-effective scalable perovskite solar cells.

  5. Delta channel networks: 1. A graph-theoretic approach for studying connectivity and steady state transport on deltaic surfaces

    NASA Astrophysics Data System (ADS)

    Tejedor, Alejandro; Longjas, Anthony; Zaliapin, Ilya; Foufoula-Georgiou, Efi

    2015-06-01

    River deltas are intricate landscapes with complex channel networks that self-organize to deliver water, sediment, and nutrients from the apex to the delta top and eventually to the coastal zone. The natural balance of material and energy fluxes, which maintains a stable hydrologic, geomorphologic, and ecological state of a river delta, is often disrupted by external perturbations causing topological and dynamical changes in the delta structure and function. A formal quantitative framework for studying delta channel network connectivity and transport dynamics and their response to change is lacking. Here we present such a framework based on spectral graph theory and demonstrate its value in computing delta's steady state fluxes and identifying upstream (contributing) and downstream (nourishment) areas and fluxes from any point in the network. We use this framework to construct vulnerability maps that quantify the relative change of sediment and water delivery to the shoreline outlets in response to possible perturbations in hundreds of upstream links. The framework is applied to the Wax Lake delta in the Louisiana coast of the U.S. and the Niger delta in West Africa. In a companion paper, we present a comprehensive suite of metrics that quantify topologic and dynamic complexity of delta channel networks and, via application to seven deltas in diverse environments, demonstrate their potential to reveal delta morphodynamics and relate to notions of vulnerability and robustness.

  6. A fugacity approach for modeling the transport of airborne organic chemicals in an air/plant/soil system

    SciTech Connect

    Oliver, L.D. ); McKone, T.E. )

    1991-05-01

    An important issue facing both public and private agencies is the identification and quantification of exposures by indirect pathways to toxic chemicals released to the atmosphere. With recent public concerns over pesticides such as malathion and alar in foods, greater attention is being given to the process of chemical uptake by plants. Whether chemicals taken up by plants can accumulate and ultimately enter the human food chain are important questions for determining health risks and safe levels of toxic air-pollutant emissions and pesticide application. A number of plant-toxicokinetic, or botanicokinetic,'' models have been developed to give estimates of how chemicals are partitioned and transported within plants. In this paper, we provide a brief review of these models, describing their main features and listing some of their advantages and disadvantages. We then describe and demonstrate a five-compartment air/plant/soil model, which builds on and extends the features included in previous models. We apply this model to the steady-state chemical partitioning of perchloroethylene, hexachlorobenzene, and 2,3,7,8-tetrachlorodibenzo-p-dioxin in grass as test cases. We conclude with a discussion of the advantages and limitations of the model.

  7. A fugacity approach for modeling the transport of airborne organic chemicals in an air/plant/soil system

    SciTech Connect

    Oliver, L.D.; McKone, T.E.

    1991-05-01

    An important issue facing both public and private agencies is the identification and quantification of exposures by indirect pathways to toxic chemicals released to the atmosphere. With recent public concerns over pesticides such as malathion and alar in foods, greater attention is being given to the process of chemical uptake by plants. Whether chemicals taken up by plants can accumulate and ultimately enter the human food chain are important questions for determining health risks and safe levels of toxic air-pollutant emissions and pesticide application. A number of plant-toxicokinetic, or ``botanicokinetic,`` models have been developed to give estimates of how chemicals are partitioned and transported within plants. In this paper, we provide a brief review of these models, describing their main features and listing some of their advantages and disadvantages. We then describe and demonstrate a five-compartment air/plant/soil model, which builds on and extends the features included in previous models. We apply this model to the steady-state chemical partitioning of perchloroethylene, hexachlorobenzene, and 2,3,7,8-tetrachlorodibenzo-p-dioxin in grass as test cases. We conclude with a discussion of the advantages and limitations of the model.

  8. SRP Transport in the Salto River, Costa Rica: Long-term Monitoring and Short-term Experimental Approaches

    NASA Astrophysics Data System (ADS)

    Triska, F. J.; Pringle, C. M.; Duff, J. H.; Avanzino, R. J.; Ardon, M.

    2005-05-01

    Soluble reactive phosphorus (SRP) transport retention was determined since 1988 at 4 sites in three rain forest streams draining La Selva Biological Station, Costa Rica. SRP levels can be naturally high there due to regional geothermal groundwater discharge at ambient temperature. Mean SRP was 89±53ug/L for the Salto (1988-1996) compared to 21±39ug/L for a tributary Pantano (1988-1998) and 26±35ug/L in the nearby Sabalo. After 1997 Salto SRP was determined separately in upland (Upper Salto) and lowland forest (Lower Salto) reaches. Upper Salto SRP is low until enriched at the slope transition. There high SRP springs contribute approximately 36% of long term discharge and 85% of SRP load leaving the watershed. TP is negatively correlated to discharge in all streams. SRP is not correlated to discharge at low SRP sites, but negatively correlated to discharge in Lower Salto when data from 2 ENSO events (EL Nino Southern Oscillation) are removed. Short-term SPR conservative tracer addition experiments indicate high retention at all sites. Retention is dominated by sediment, as indicated by subsequent adsorption-desorption studies. Enhanced input to high SRP streams can affect biotic metabolism, litter decomposition and secondary production in these tropical environments.

  9. An adiabatic linearized path integral approach for quantum time correlation functions: electronic transport in metal-molten salt solutions.

    PubMed

    Causo, Maria Serena; Ciccotti, Giovanni; Montemayor, Daniel; Bonella, Sara; Coker, David F

    2005-04-14

    We generalize the linearized path integral approach to evaluate quantum time correlation functions for systems best described by a set of nuclear and electronic degrees of freedom, restricting ourselves to the adiabatic approximation. If the operators in the correlation function are nondiagonal in the electronic states, then this adiabatic linearized path integral approximation for the thermal averaged quantum dynamics presents interesting and distinctive features, which we derive and explore in this paper. The capability of these approximations to accurately reproduce the behavior of physical systems is demonstrated by calculating the diffusion constant for an excess electron in a metal-molten salt solution.

  10. Review of Helium and Xenon Pure Component and Mixture Transport Properties and Recommendation of Estimating Approach for Project Prometheus (Viscosity and Thermal Conductivity)

    NASA Astrophysics Data System (ADS)

    Haire, Melissa A.; Vargo, David D.

    2007-01-01

    The selected configuration for the Project Prometheus Space Nuclear Power Plant was a direct coupling of Brayton energy conversion loop(s) to a single reactor heat source through the gas coolant/working fluid. A mixture of helium (He) and xenon (Xe) gas was assumed as the coolant/working fluid. Helium has superior thermal conductivity while xenon is added to increase the gas atomic weight to benefit turbomachinery design. Both elements have the advantage of being non-reactive. HeXe transport properties (viscosity and thermal conductivity) were needed to calculate pressure drops and heat transfer rates. HeXe mixture data are limited, necessitating the use of semi-empirical correlations to calculate mixture properties. Several approaches are available. Pure component properties are generally required in the mixture calculations. While analytical methods are available to estimate pure component properties, adequate helium and xenon pure component data are available. This paper compares the sources of pure component data and the approaches to calculate mixture properties. Calculated mixture properties are compared to the limited mixture data and approaches are recommended to calculate both pure component and mixture properties. Given the limited quantity of HeXe mixture data (all at one atmosphere), additional testing may have been required for Project Prometheus to augment the existing data and confirm the selection of mixture property calculation methods.

  11. Review of Helium and Xenon Pure Component and Mixture Transport Properties and Recommendation of Estimating Approach for Project Prometheus (Viscosity and Thermal Conductivity)

    SciTech Connect

    Haire, Melissa A.; Vargo, David D.

    2007-01-30

    The selected configuration for the Project Prometheus Space Nuclear Power Plant was a direct coupling of Brayton energy conversion loop(s) to a single reactor heat source through the gas coolant/working fluid. A mixture of helium (He) and xenon (Xe) gas was assumed as the coolant/working fluid. Helium has superior thermal conductivity while xenon is added to increase the gas atomic weight to benefit turbomachinery design. Both elements have the advantage of being non-reactive. HeXe transport properties (viscosity and thermal conductivity) were needed to calculate pressure drops and heat transfer rates. HeXe mixture data are limited, necessitating the use of semi-empirical correlations to calculate mixture properties. Several approaches are available. Pure component properties are generally required in the mixture calculations. While analytical methods are available to estimate pure component properties, adequate helium and xenon pure component data are available. This paper compares the sources of pure component data and the approaches to calculate mixture properties. Calculated mixture properties are compared to the limited mixture data and approaches are recommended to calculate both pure component and mixture properties. Given the limited quantity of HeXe mixture data (all at one atmosphere), additional testing may have been required for Project Prometheus to augment the existing data and confirm the selection of mixture property calculation methods.

  12. Targeting presynaptic norepinephrine transporter in brown adipose tissue: a novel imaging approach and potential treatment for diabetes and obesity.

    PubMed

    Mirbolooki, M Reza; Constantinescu, Cristian C; Pan, Min-Liang; Mukherjee, Jogeshwar

    2013-02-01

    Brown adipose tissue (BAT) plays a significant role in metabolism. In this study, we report the use of atomoxetine (a clinically applicable norepinephrine reuptake inhibitor) for (18)F-FDG PET imaging of BAT and its effects on heat production and blood glucose concentration. Fasted-male Sprague-Dawley rats were administered with intravenous (18)F-FDG. The same rats were treated with atomoxetine (0.1 mg/kg, i.v.) 30 min before (18)F-FDG administration. To confirm the β-adrenergic effects, propranolol (β-adrenergic inhibitor) 5 mg/kg was given intraperitoneally 30 min prior to atomoxetine administration. The effect of atomoxetine on BAT metabolism was assessed in fasted and non-fasted rats and on BAT temperature and blood glucose in fasted rats. In (18)F-FDG PET/CT images, interscapular BAT (IBAT) and other areas of BAT were clearly visualized. When rats were fasted, atomoxetine (0.1 mg/kg) increased the (18)F-FDG uptake of IBAT by factor of 24 within 30 min. Propranolol reduced the average (18)F-FDG uptake of IBAT significantly. Autoradiography of IBAT and white adipose tissue confirmed the data obtained by PET. When rats were not fasted, atomoxetine-induced increase of (18)F-FDG uptake in IBAT was delayed and occurred in 120 min. For comparison, direct stimulation of β(3)-adrenreceptors in non-fasted rats with CL-316, 243 occurred within 30 min. Atomoxetine-induced IBAT activation was associated with higher IBAT temperature and lower blood glucose. This was mediated by inhibition of norepinephrine reuptake transporters in IBAT leading to increased norepinephrine concentration in the synapse. Increased synaptic norepinephrine activates β(3)-adrenreceptors resulting in BAT hypermetabolism that is visible and quantifiable by (18)F-FDG PET/CT.

  13. Interaction of Dopamine Transporter Gene and Observed Parenting Behaviors on Attention-Deficit/Hyperactivity Disorder: A Structural Equation Modeling Approach

    PubMed Central

    Li, James J.; Lee, Steve S.

    2012-01-01

    Objective Emerging evidence suggests that some individuals may be simultaneously more responsive to the effects from environmental adversity and enrichment (i.e., differential susceptibility). Given that parenting behavior and a variable number tandem repeat polymorphism in the 3′untranslated region of the dopamine transporter (DAT1) gene are each independently associated with ADHD, our goal was to evaluate the potential interactive effects of child DAT1 genotype with positive and negative parenting behaviors on childhood ADHD. Method We recruited an ethnically-diverse sample of 150 six to nine year-old boys and girls with and without ADHD. Children were genotyped for a common polymorphism of the DAT1 gene, and objective counts of observed parenting behavior (i.e., negativity and praise) were obtained from a valid parent-child interaction task. Structural equation modeling was used to examine the interactive effects of DAT1 and observed parenting with a latent ADHD factor. Results We detected a significant interaction between observed praise and child DAT1 (coded additively) which suggested that praise was associated with increased ADHD, but only among youth with the 9/10 genotype. In addition, a marginally significant interaction between DAT1 (coded additively and recessively) and observed negativity emerged for ADHD, such that negativity was positively associated with ADHD but only for youth with the 9/9 genotype. Conclusions Although differential susceptibility theory was not fully supported, These preliminary results suggest that interactive exchanges between parenting behavior and child genotype potentially contribute to the development of ADHD. Clinical implications for interactions between parenting behavior and child genotype are discussed. PMID:23153115

  14. Impact of stratospheric intrusions and intercontinental transport on ozone at Jungfraujoch in 2005: comparison and validation of two Lagrangian approaches

    NASA Astrophysics Data System (ADS)

    Cui, J.; Sprenger, M.; Staehelin, J.; Siegrist, A.; Kunz, M.; Henne, S.; Steinbacher, M.

    2009-05-01

    The particle dispersion model FLEXPART and the trajectory model LAGRANTO are Lagrangian models which are widely used to study synoptic-scale atmospheric air flows such as stratospheric intrusions (SI) and intercontinental transport (ICT). In this study, we focus on SI and ICT events particularly from the North American planetary boundary layer for the Jungfraujoch (JFJ) measurement site, Switzerland, in 2005. Two representative cases of SI and ICT are identified based on measurements recorded at Jungfraujoch and are compared with FLEXPART and LAGRANTO simulations, respectively. Both models well capture the events, showing good temporal agreement between models and measurements. In addition, we investigate the performance of FLEXPART and LAGRANTO on representing SI and ICT events over the entire year 2005 in a statistical way. We found that the air at JFJ is influenced by SI during 19% (FLEXPART) and 18% (LAGRANTO), and by ICT from the North American planetary boundary layer during 13% (FLEXPART) and 12% (LAGRANTO) of the entire year. Through intercomparsion with measurements, our findings suggest that both FLEXPART and LAGRANTO are well capable of representing SI and ICT events if they last for more than 12 h, whereas both have problems on representing short events. For comparison with in-situ observations we used O3 and relative humidity for SI events. As parameters to trace ICT events we used a combination of NOy/CO and CO, however these parameters are not specific enough to distinguish aged air masses by their source regions. Moreover, a sensitivity study indicates that the agreement between models and measurements depends significantly on the threshold values applied to the individual control parameters. Generally, the less strict the thresholds are, the better the agreement between models and measurements. Although the dependence of the agreement on the threshold values is appreciable, it nevertheless confirms the conclusion that both FLEXPART and LAGRANTO are

  15. A hybrid approach to transport processes in the Gulf of Naples: an application to phytoplankton and zooplankton population dynamics

    NASA Astrophysics Data System (ADS)

    Grieco, L.; Tremblay, L.-B.; Zambianchi, E.

    2005-03-01

    A hybrid numerical approach was developed to study the dispersion of passive/reactive tracers in the Gulf of Naples (GON). To this end, an Eulerian and a Lagrangian scheme were implemented in the barotropic form of the Princeton Ocean Model (POM) and applied to the dispersion of zoo- and phytoplankton in the GON. The hybrid technique was first validated by comparing the tracer concentration patterns from the Eulerian model and maps of particle positions from the Lagrangian model. Excellent agreement in both spatial distribution and temporal evolution of these quantities was found between the two models. Second, the circulation in the GON was simulated using the POM model. While using simplified forcing fields, the simulated circulation patterns in the GON reproduce many observed features. These include the flushing of the GON waters typically occurring in spring and the formation of a close cyclonic gyre (trapping and homogenizing tracers in the GON) in autumn. The circulation patterns are strongly influenced by both the surface wind stresses and bathymetry and only "remotely" by the Tyrrhenian circulation. For the biological application, the spatial and temporal evolution of passive tracers (e.g., nutrients) was simulated using the Eulerian approach and that of the zoo- and phytoplankton using the Lagrangian approach. These populations were assumed to follow a prey-predator relationship and were studied using a grid resolution of 1.5 km. At these scales, the biological and physical processes (e.g., grazing, phyto- and zooplankton growth rate, mesoscale eddies, horizontal turbulent diffusion), influence plankton heterogeneity and patchiness. In particular, the model results show that phytoplankton variability have spatial and temporal scales similar than those of the carrying capacity (considered here as the effect of a limiting nutrient), yet bigger than the flow turbulence due to diffusion processes. The zooplankton population on the other hand develops on

  16. The Innovations, Technology and Waste Management Approaches to Safely Package and Transport the World's First Radioactive Fusion Research Reactor for Burial

    SciTech Connect

    Keith Rule; Erik Perry; Jim Chrzanowski; Mike Viola; Ron Strykowsky

    2003-09-15

    Original estimates stated that the amount of radioactive waste that will be generated during the dismantling of the Tokamak Fusion Test Reactor will approach two million kilograms with an associated volume of 2,500 cubic meters. The materials were activated by 14 MeV neutrons and were highly contaminated with tritium, which present unique challenges to maintain integrity during packaging and transportation. In addition, the majority of this material is stainless steel and copper structural metal that were specifically designed and manufactured for this one-of-a-kind fusion research reactor. This provided further complexity in planning and managing the waste. We will discuss the engineering concepts, innovative practices, and technologies that were utilized to size reduce, stabilize, and package the many unique and complex components of this reactor. This waste was packaged and shipped in many different configurations and methods according to the transportation regulations and disposal facility requirements. For this particular project, we were able to utilize two separate disposal facilities for burial. This paper will conclude with a complete summary of the actual results of the waste management costs, volumes, and best practices that were developed from this groundbreaking and successful project.

  17. Guidelines for selecting codes for ground-water transport modeling of low-level waste burial sites. Volume 1. Guideline approach

    SciTech Connect

    Simmons, C.S.; Cole, C.R.

    1985-05-01

    This document was written for the National Low-Level Waste Management Program to provide guidance for managers and site operators who need to select ground-water transport codes for assessing shallow-land burial site performance. The guidance given in this report also serves the needs of applications-oriented users who work under the direction of a manager or site operator. The guidelines are published in two volumes designed to support the needs of users having different technical backgrounds. An executive summary, published separately, gives managers and site operators an overview of the main guideline report. This volume includes specific recommendations for decision-making managers and site operators on how to use these guidelines. The more detailed discussions about the code selection approach are provided. 242 refs., 6 figs.

  18. A steady state redox zone approach for modeling the transport and degradation of xenobiotic organic compounds from a landfill site

    NASA Astrophysics Data System (ADS)

    Lønborg, Michael J.; Engesgaard, Peter; Bjerg, Poul L.; Rosbjerg, Dan

    2006-10-01

    A redox zonation approach is used as a framework for obtaining biodegradation rate constants of xenobiotic compounds in a landfill plume (Grindsted, Denmark). The aquifer is physically heterogeneous in terms of a complex zonation of different geological units close to the landfill and biogeochemically heterogeneous in terms of a specified redox zonation. First-order degradation rates of six organic compounds (benzene, toluene, ethylbenzene, o-xylene, m/ p-xylene, and naphthalene) were calculated in the methanogenic/sulfate- and Fe-reducing zones. The numerical simulations show that all compounds are anaerobically biodegraded, but at very different rates. High rates of biodegradation of most of the compounds (except benzene) were found in the Fe-reducing zone. These rates generally agree with previously published rates. Only o-xylene and toluene were significantly biodegraded in the methanogenic/sulfate-reducing environment. All rates in this redox zone are generally much lower than previously published rates.

  19. A resolved two-way coupled CFD/6-DOF approach for predicting embolus transport and the embolus-trapping efficiency of IVC filters.

    PubMed

    Aycock, Kenneth I; Campbell, Robert L; Manning, Keefe B; Craven, Brent A

    2016-11-30

    Inferior vena cava (IVC) filters are medical devices designed to provide a mechanical barrier to the passage of emboli from the deep veins of the legs to the heart and lungs. Despite decades of development and clinical use, IVC filters still fail to prevent the passage of all hazardous emboli. The objective of this study is to (1) develop a resolved two-way computational model of embolus transport, (2) provide verification and validation evidence for the model, and (3) demonstrate the ability of the model to predict the embolus-trapping efficiency of an IVC filter. Our model couples computational fluid dynamics simulations of blood flow to six-degree-of-freedom simulations of embolus transport and resolves the interactions between rigid, spherical emboli and the blood flow using an immersed boundary method. Following model development and numerical verification and validation of the computational approach against benchmark data from the literature, embolus transport simulations are performed in an idealized IVC geometry. Centered and tilted filter orientations are considered using a nonlinear finite element-based virtual filter placement procedure. A total of 2048 coupled CFD/6-DOF simulations are performed to predict the embolus-trapping statistics of the filter. The simulations predict that the embolus-trapping efficiency of the IVC filter increases with increasing embolus diameter and increasing embolus-to-blood density ratio. Tilted filter placement is found to decrease the embolus-trapping efficiency compared with centered filter placement. Multiple embolus-trapping locations are predicted for the IVC filter, and the trapping locations are predicted to shift upstream and toward the vessel wall with increasing embolus diameter. Simulations of the injection of successive emboli into the IVC are also performed and reveal that the embolus-trapping efficiency decreases with increasing thrombus load in the IVC filter. In future work, the computational tool could be

  20. Conceptual, experimental and computational approaches to support performance assessment of hydrology and chemical transport at Yucca Mountain; Yucca Mountain Site Characterization Project

    SciTech Connect

    Narasimhan, T.N.; Wang, J.S.Y.

    1992-07-01

    The authors of this report have been participating in the Sandia National Laboratory`s hydrologic performance assessment of the Yucca Mountain, Nevada, since 1983. The scope of this work is restricted to the unsaturated zone at Yucca Mountain and to technical questions about hydrology and chemical transport. The issues defined here are not to be confused with the elaborate hierarchy of issues that forms the framework of the US Department of Energy plans for characterizing the site (DOE, 1989). The overall task of hydrologic performance assessment involves issues related to hydrology, geochemistry, and energy transport in a highly heterogeneous natural geologic system which will be perturbed in a major way by the disposal activity. Therefore, a rational evaluation of the performance assessment issues must be based on an integrated appreciation of the aforesaid interacting processes. Accordingly, a hierarchical approach is taken in this report, proceeding from the statement of the broad features of the site that make it the site for intensive studies and the rationale for disposal strategy, through the statement of the fundamental questions that need to be answered, to the identification of the issues that need resolution. Having identified the questions and issues, the report then outlines the tasks to be undertaken to resolve the issues. The report consists essentially of two parts. The first part deals with the definition of issues summarized above. The second part summarizes the findings of the authors between 1983 and 1989 under the activities of the former Nevada Nuclear Waste Storage Investigations (NNWSI) and the current YMP.

  1. Water-transporting proteins.

    PubMed

    Zeuthen, Thomas

    2010-04-01

    Transport through lipids and aquaporins is osmotic and entirely driven by the difference in osmotic pressure. Water transport in cotransporters and uniporters is different: Water can be cotransported, energized by coupling to the substrate flux by a mechanism closely associated with protein. 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 is not clear. It is associated with the substrate movements in aqueous pathways within the protein; a conventional unstirred layer mechanism can be ruled out, due to high rates of diffusion in the cytoplasm. The physiological roles of the various modes of water transport are reviewed in relation to epithelial 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 of the transportate to approach isotonicity.

  2. Siting and Transportation for Consolidated Used Nuclear Fuel Management Facilities: A Proposed Approach for a Regional Initiative to Begin the Dialogue - 13562

    SciTech Connect

    Thrower, Alex W.; Janairo, Lisa

    2013-07-01

    related to the selection of a consolidated storage site. The approach would be characterized by informed discussion and deliberation, bringing together stakeholders from government, the non-governmental (NGO) community, industry, and other sectors. Because site selection would result in regional transportation impacts, the development of the transportation system (e.g., route identification, infrastructure improvements) would be integrated into the issue-resolution process. In addition to laying out the necessary steps and associated timeline, the authors address the challenges of building public trust and confidence in the new waste management program, as well as the difficulty of reaching and sustaining broad-based consensus on a decision to host a consolidated storage facility. (authors)

  3. Decoherence and energy relaxation in the quantum-classical dynamics for charge transport in organic semiconducting crystals: An instantaneous decoherence correction approach.

    PubMed

    Si, Wei; Wu, Chang-Qin

    2015-07-14

    We explore an instantaneous decoherence correction (IDC) approach for the decoherence and energy relaxation in the quantum-classical dynamics of charge transport in organic semiconducting crystals. These effects, originating from environmental fluctuations, are essential ingredients of the carrier dynamics. The IDC is carried out by measurement-like operations in the adiabatic representation. While decoherence is inherent in the IDC, energy relaxation is taken into account by considering the detailed balance through the introduction of energy-dependent reweighing factors, which could be either Boltzmann (IDC-BM) or Miller-Abrahams (IDC-MA) type. For a non-diagonal electron-phonon coupling model, it is shown that IDC tends to enhance diffusion while energy relaxation weakens this enhancement. As expected, both the IDC-BM and IDC-MA achieve a near-equilibrium distribution at finite temperatures in the diffusion process, while in the Ehrenfest dynamics the electronic system tends to infinite temperature limit. The resulting energy relaxation times with the two kinds of factors lie in different regimes and exhibit different dependences on temperature, decoherence time, and electron-phonon coupling strength, due to different dominant relaxation processes.

  4. Assessment of intrinsic bioremediation of a coal-tar-affected aquifer using two-dimensional reactive transport and biogeochemical mass balance approaches

    SciTech Connect

    Rogers, S.W.; Ong, S.K.; Stenback, G.A.; Golchin, J.; Kjartanson, B.H.

    2007-01-15

    Expedited site characterization and groundwater monitoring using direct-push technology and conventional monitoring wells were conducted at a former manufactured gas plant site. Biogeochemical data and heterotrophic plate counts support the presence of microbially mediated remediation. By superimposing solutions of a two-dimensional reactive transport analytical model, first-order degradation rate coefficients (day{sup -1}) of various compounds for the dissolved-phase plume were estimated (i.e., benzene (0.0084), naphthalene (0.0058), and acenaphthene (0.0011)). The total mass transformed by aerobic respiration, nitrate reduction, and sulfate reduction around the free-phase coal-tar dense-nonaqueous-phase-liquid region and in the plume was estimated to be approximately 4.5 kg/y using a biogeochemical mass-balance approach. The total mass transformed using the degradation rate coefficients was estimated to be approximately 3.6 kg/y. Results showed that a simple two-dimensional analytical model and a biochemical mass balance with geochemical data from expedited site characterization can be useful for rapid estimation of mass-transformation rates.

  5. Comparison of flying qualities derived from in-flight and ground-based simulators for a jet-transport airplane for the approach and landing pilot tasks

    NASA Technical Reports Server (NTRS)

    Grantham, William D.

    1989-01-01

    The primary objective was to provide information to the flight controls/flying qualities engineer that will assist him in determining the incremental flying qualities and/or pilot-performance differences that may be expected between results obtained via ground-based simulation (and, in particular, the six-degree-of-freedom Langley Visual/Motion Simulator (VMS)) and flight tests. Pilot opinion and performance parameters derived from a ground-based simulator and an in-flight simulator are compared for a jet-transport airplane having 32 different longitudinal dynamic response characteristics. The primary pilot tasks were the approach and landing tasks with emphasis on the landing-flare task. The results indicate that, in general, flying qualities results obtained from the ground-based simulator may be considered conservative-especially when the pilot task requires tight pilot control as during the landing flare. The one exception to this, according to the present study, was that the pilots were more tolerant of large time delays in the airplane response on the ground-based simulator. The results also indicated that the ground-based simulator (particularly the Langley VMS) is not adequate for assessing pilot/vehicle performance capabilities (i.e., the sink rate performance for the landing-flare task when the pilot has little depth/height perception from the outside scene presentation).

  6. Decoherence and energy relaxation in the quantum-classical dynamics for charge transport in organic semiconducting crystals: An instantaneous decoherence correction approach

    SciTech Connect

    Si, Wei; Wu, Chang-Qin

    2015-07-14

    We explore an instantaneous decoherence correction (IDC) approach for the decoherence and energy relaxation in the quantum-classical dynamics of charge transport in organic semiconducting crystals. These effects, originating from environmental fluctuations, are essential ingredients of the carrier dynamics. The IDC is carried out by measurement-like operations in the adiabatic representation. While decoherence is inherent in the IDC, energy relaxation is taken into account by considering the detailed balance through the introduction of energy-dependent reweighing factors, which could be either Boltzmann (IDC-BM) or Miller-Abrahams (IDC-MA) type. For a non-diagonal electron-phonon coupling model, it is shown that IDC tends to enhance diffusion while energy relaxation weakens this enhancement. As expected, both the IDC-BM and IDC-MA achieve a near-equilibrium distribution at finite temperatures in the diffusion process, while in the Ehrenfest dynamics the electronic system tends to infinite temperature limit. The resulting energy relaxation times with the two kinds of factors lie in different regimes and exhibit different dependences on temperature, decoherence time, and electron-phonon coupling strength, due to different dominant relaxation processes.

  7. Nonequilibrium green function approach to elastic and inelastic spin-charge transport in topological insulator-based heterostructures and magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Mahfouzi, Farzad

    Current and future technological needs increasingly motivate the intensive scientific research of the properties of materials at the nano-scale. One of the most important domains in this respect at present concerns nano-electronics and its diverse applications. The great interest in this domain arises from the potential reduction of the size of the circuit components, maintaining their quality and functionality, and aiming at greater efficiency, economy, and storage characteristics for the corresponding physical devices. The aim of this thesis is to present a contribution to the analysis of the electronic charge and spin transport phenomena that occur at the quantum level in nano-structures. This thesis spans the areas of quantum transport theory through time-dependent systems, electron-boson interacting systems and systems of interest to spintronics. A common thread in the thesis is to develop the theoretical foundations and computational algorithms to numerically simulate such systems. In order to optimize the numerical calculations I resort to different techniques (such as graph theory in finding inverse of a sparse matrix, adaptive grids for integrations and programming languages (e.g., MATLAB and C++) and distributed computing tools (MPI, CUDA). Outline of the Thesis: After giving an introduction to the topics covered in this thesis in Chapter 1, I present the theoretical foundations to the field of non-equilibrium quantum statistics in Chapter 2. The applications of this formalism and the results are covered in the subsequent chapters as follows: Spin and charge quantum pumping in time-dependent systems: Covered in Chapters 3, 4 and 5, this topics was initially motivated by experiments on measuring voltage signal from a magnetic tunnel junction (MTJ) exposed to a microwave radiation in ferromagnetic resonance (FMR) condition. In Chapter 3 we found a possible explanation for the finite voltage signal measured from a tunnel junction consisting of only a single

  8. Trajectory structures and transport

    SciTech Connect

    Vlad, Madalina; Spineanu, Florin

    2004-11-01

    The special problem of transport in two-dimensional divergence-free stochastic velocity fields is studied by developing a statistical approach, the nested subensemble method. The nonlinear process of trapping determined by such fields generates trajectory structures whose statistical characteristics are determined. These structures strongly influence the transport.

  9. Pathways for Advective Transport

    DTIC Science & Technology

    2001-01-19

    the approach is given and an application to the Gulf of Mexico is described where the analysis precisely identifies the boundaries of coherent vortical structures as well as pathways for advective transport.

  10. Identification of LIV1, a putative zinc transporter gene responsible for HDACi-induced apoptosis, using a functional gene screen approach.

    PubMed

    Ma, Xiaoli; Ma, Quanfu; Liu, Jia; Tian, Yuan; Wang, Beibei; Taylor, Kathryn M; Wu, Peng; Wang, Daowen; Xu, Gang; Meng, Li; Wang, Shixuan; Ma, Ding; Zhou, Jianfeng

    2009-11-01

    Histone deacetylase inhibitors (HDACi) show promise as a novel class of antitumoral agents and have shown the ability to induce apoptosis of tumor cells. To gain a better understanding of the action of HDACi, we conducted a functional gene screen approach named suppression of mortality by antisense rescue technique to identify the key genes responsible for the tumor-selective killing trichostatin A. Over 20 genes associated with HDACi-induced mortality were identified. One of the confirmed positive hits is LIV1, a putative zinc transporter. LIV1 is significantly induced by treatment with HDACi in a number of tumor cells, but not in normal cells. Knockdown of LIV1 suppressed apoptosis induced by HDACi in tumor cells. Although HDACi induced a slight increase in the free intracellular zinc concentration, knockdown of LIV1 significantly enhanced the intracellular zinc level, which was associated with resistance to apoptosis. On the other hand, pretreatment of the cells with a specific zinc chelator TPEN reversed the apoptosis resistance conferred by knockdown of LIV1. However, the biological effects of TPEN were abolished by addition of physiologic concentrations of zinc. Taken together, the present study identifies LIV1 as a critical mediator responsible for HDACi-induced apoptosis. The effect of LIV1 is, at least in part, mediated by affecting intracellular zinc homeostasis, which may be related to alteration of the catalytic activity of the Caspase 3 and expression of some BCL-2 family genes. As such, these findings highlight a novel mechanism underlying the action of HDACi that could be potentially useful in the clinical setting.

  11. Radiation Transport

    SciTech Connect

    Urbatsch, Todd James

    2015-06-15

    We present an overview of radiation transport, covering terminology, blackbody raditation, opacities, Boltzmann transport theory, approximations to the transport equation. Next we introduce several transport methods. We present a section on Caseology, observing transport boundary layers. We briefly broach topics of software development, including verification and validation, and we close with a section on high energy-density experiments that highlight and support radiation transport.

  12. MFS transporters required for multidrug/multixenobiotic (MD/MX) resistance in the model yeast: understanding their physiological function through post-genomic approaches

    PubMed Central

    dos Santos, Sandra C.; Teixeira, Miguel C.; Dias, Paulo J.; Sá-Correia, Isabel

    2014-01-01

    Multidrug/Multixenobiotic resistance (MDR/MXR) is a widespread phenomenon with clinical, agricultural and biotechnological implications, where MDR/MXR transporters that are presumably able to catalyze the efflux of multiple cytotoxic compounds play a key role in the acquisition of resistance. However, although these proteins have been traditionally considered drug exporters, the physiological function of MDR/MXR transporters and the exact mechanism of their involvement in resistance to cytotoxic compounds are still open to debate. In fact, the wide range of structurally and functionally unrelated substrates that these transporters are presumably able to export has puzzled researchers for years. The discussion has now shifted toward the possibility of at least some MDR/MXR transporters exerting their effect as the result of a natural physiological role in the cell, rather than through the direct export of cytotoxic compounds, while the hypothesis that MDR/MXR transporters may have evolved in nature for other purposes than conferring chemoprotection has been gaining momentum in recent years. This review focuses on the drug transporters of the Major Facilitator Superfamily (MFS; drug:H+ antiporters) in the model yeast Saccharomyces cerevisiae. New insights into the natural roles of these transporters are described and discussed, focusing on the knowledge obtained or suggested by post-genomic research. The new information reviewed here provides clues into the unexpectedly complex roles of these transporters, including a proposed indirect regulation of the stress response machinery and control of membrane potential and/or internal pH, with a special emphasis on a genome-wide view of the regulation and evolution of MDR/MXR-MFS transporters. PMID:24847282

  13. Sewing relations and duality for BRST off-shell string tadpole amplitudes

    SciTech Connect

    Ordonez, C.R. ); Rey, S.; Rubin, M.A.; Zucchini, R.

    1989-09-15

    Using a Becchi-Rouet-Stora-Tyutin- (BRST-)invariant first-quantized formalism for closed-bosonic-string theory, we construct amplitudes for closed-string tadpoles in the conformal gauge and discuss the connection with covariant string field theory in the Siegel gauge. We also show that the application of the sewing rules, previously found for propagators, to pairs of these tadpole amplitudes yields the Klein-bottle and annulus one-loop vacuum amplitudes as required by duality and factorization.

  14. Off-shell effects for the reaction pp{yields}{pi}d at high energies

    SciTech Connect

    Lee, T.S.H.; Locher, M.P.; Lu, Y.

    1995-08-01

    The reaction pp {yields} {pi}d is studied in a relativistic meson rescattering model. For 1.3 < T{sub p} < 2.4 GeV, the differential cross section and the asymmetry are calculated and compared to experiment. The model introduces simple form factors for the leading {pi}N partial waves, which depend on the virtuality of the exchanged {pi} and {rho} mesons. All remaining input is derived from experimental constraints. The data can be described by energy-independent form factors. The asymmetries are sensitive to pp distortion factors and further details of the model. A paper describing our results was published.

  15. Approaches to Quantify Potential Contaminant Transport in the Lower Carbonate Aquifer from Underground Nuclear Testing at Yucca Flat, Nevada National Security Site, Nye County, Nevada - 12434

    SciTech Connect

    Andrews, Robert W.; Birdie, Tiraz; Wilborn, Bill; Mukhopadhyay, Bimal

    2012-07-01

    Quantitative modeling of the potential for contaminant transport from sources associated with underground nuclear testing at Yucca Flat is an important part of the strategy to develop closure plans for the residual contamination. At Yucca Flat, the most significant groundwater resource that could potentially be impacted is the Lower Carbonate Aquifer (LCA), a regionally extensive aquifer that supplies a significant portion of the water demand at the Nevada National Security Site, formerly the Nevada Test Site. Developing and testing reasonable models of groundwater flow in this aquifer is an important precursor to performing subsequent contaminant transport modeling used to forecast contaminant boundaries at Yucca Flat that are used to identify potential use restriction and regulatory boundaries. A model of groundwater flow in the LCA at Yucca Flat has been developed. Uncertainty in this model, as well as other transport and source uncertainties, is being evaluated as part of the Underground Testing Area closure process. Several alternative flow models of the LCA in the Yucca Flat/Climax Mine CAU have been developed. These flow models are used in conjunction with contaminant transport models and source term models and models of contaminant transport from underground nuclear tests conducted in the overlying unsaturated and saturated alluvial and volcanic tuff rocks to evaluate possible contaminant migration in the LCA for the next 1,000 years. Assuming the flow and transport models are found adequate by NNSA/NSO and NDEP, the models will undergo a peer review. If the model is approved by NNSA/NSO and NDEP, it will be used to identify use restriction and regulatory boundaries at the start of the Corrective Action Decision Document Corrective Action Plan (CADD/CAP) phase of the Corrective Action Strategy. These initial boundaries may be revised at the time of the Closure Report phase of the Corrective Action Strategy. (authors)

  16. A domain-based approach for analyzing the function of aluminum-activated malate transporters from wheat (Triticum aestivum) and Arabidopsis thaliana in Xenopus oocytes.

    PubMed

    Sasaki, Takayuki; Tsuchiya, Yoshiyuki; Ariyoshi, Michiyo; Ryan, Peter R; Furuichi, Takuya; Yamamoto, Yoko

    2014-12-01

    Wheat and Arabidopsis plants respond to aluminum (Al) ions by releasing malate from their root apices via Al-activated malate transporter. Malate anions bind with the toxic Al ions and contribute to the Al tolerance of these species. The genes encoding the transporters in wheat and Arabidopsis, TaALMT1 and AtALMT1, respectively, were expressed in Xenopus laevis oocytes and characterized electrophysiologically using the two-electrode voltage clamp system. The Al-activated currents generated by malate efflux were detected for TaALMT1 but not for AtALMT1. Chimeric proteins were generated by swapping the N- and C-terminal halves of TaALMT1 and AtALMT1 (Ta::At and At::Ta). When these chimeras were characterized in oocytes, Al-activated malate efflux was detected for the Ta::At chimera but not for At::Ta, suggesting that the N-terminal half of TaALMT1 is necessary for function in oocytes. An additional chimera, Ta(48)::At, generated by swapping 17 residues from the N-terminus of AtALMT1 with the equivalent 48 residues from TaALMT1, was sufficient to support transport activity. This 48 residue region includes a helical region with a putative transmembrane domain which is absent in AtALMT1. The deletion of this domain from Ta(48)::At led to the complete loss of transport activity. Furthermore, truncations and a deletion at the C-terminal end of TaALMT1 indicated that a putative helical structure in this region was also required for transport function. This study provides insights into the structure-function relationships of Al-activated ALMT proteins by identifying specific domains on the N- and C-termini of TaALMT1 that are critical for basal transport function and Al responsiveness in oocytes.

  17. An integrated systems approach to remote retrieval of buried transuranic waste using a telerobotic transport vehicle, innovative end effector, and remote excavator

    SciTech Connect

    Smith, A.M.; Rice, P.; Hyde, R.; Peterson, R.

    1995-02-01

    Between 1952 and 1970, over two million cubic feet of transuranic mixed waste was buried in shallow pits and trenches in the Subsurface Disposal Area at the Idaho National Engineering Laboratory Radioactive Waste Management Complex. Commingled with this two million cubic feet of waste is up to 10 million cubic feet of fill soil. The pits and trenches were constructed similarly to municipal landfills with both stacked and random dump waste forms such as barrels and boxes. The main contaminants are micron-sized particles of plutonium and americium oxides, chlorides, and hydroxides. Retrieval, treatment, and disposal is one of the options being considered for the waste. This report describes the results of a field demonstration conducted to evaluate technologies for excavating, and transporting buried transuranic wastes at the INEL, and other hazardous or radioactive waste sites throughout the US Department of Energy complex. The full-scale demonstration, conduced at RAHCO Internationals facilities in Spokane, Washington, in the summer of 1994, evaluated equipment performance and techniques for digging, dumping, and transporting buried waste. Three technologies were evaluated in the demonstration: an Innovative End Effector for dust free dumping, a Telerobotic Transport Vehicle to convey retrieved waste from the digface, and a Remote Operated Excavator to deploy the Innovative End Effector and perform waste retrieval operations. Data were gathered and analyzed to evaluate retrieval performance parameters such as retrieval rates, transportation rates, human factors, and the equipment`s capability to control contamination spread.

  18. Effects of kaolinite colloids on Cd²⁺ transport through saturated sand under varying ionic strength conditions: Column experiments and modeling approaches.

    PubMed

    Wikiniyadhanee, Rakkreat; Chotpantarat, Srilert; Ong, Say Kee

    2015-11-01

    Column experiments were performed under various ionic strengths (0.0-0.9 mM) using 10 mg L(-1) of Cd(2+) without kaolinite colloids and 10 mg L(-1) Cd(2+) mixed with 100 mg L(-1) kaolinite colloids. The nonequilibrium two-site model (TSM) described the behavior of both Cd(2+) transport and Cd(2+) co-transported with kaolinite colloids better than the equilibrium model (CD(eq)) (R(2)=0.978-0.996). The results showed that an increase in ionic strength negatively impacted the retardation factors (R) of both Cd(2+) and Cd(2+) mixed with kaolinite colloids. The presence of kaolinite colloids increased the retardation factors of Cd(2+) from 7.23 to 7.89, 6.76 to 6.61 and 3.79 to 6.99 for ionic strengths of 0.225, 0.45 and 0.9 mM, respectively. On the other hand, the presence of kaolinite colloids decreased the retardation factor of Cd(2+) from 8.13 to 7.83 for ionic strength of 0.0 mM. The fraction of instantaneous sorption sites (f) parameters, kinetic constant for sorption sites (α) and Freundlich constant (K(f)) were estimated from HYDRUS-1D of TSM for Cd(2+) transport. The fraction of instantaneous sorption sites was found to increase for an increase in ionic strength. K(f) values of Cd(2+) transport without kaolinite colloids for 0.0, 0.225 and 0.45 mM were found to be higher than those of Cd(2+) transport with kaolinite colloids, except for ionic strength of 0.9 mM. Hence, the presence of kaolinite colloids probably retarded the mobility of Cd(2+) in porous media for higher ionic strengths. Furthermore, retardation factors and K(f) values of both Cd(2+) transport and Cd(2+) co-transport were shown to decrease when ionic strength increased. Interestingly, according to TSM, the fraction of instantaneous sorption sites tends to increase for an increase in ionic strength, which imply that the mechanism of Cd(2+) sorption onto quartz sand can be better described using equilibrium sorption rather than nonequilibrium sorption for an increase in ionic strength.

  19. Transport Experiments

    NASA Technical Reports Server (NTRS)

    Hall, Timothy M.; Wuebbles, Donald J.; Boering, Kristie A.; Eckman, Richard S.; Lerner, Jean; Plumb, R. Alan; Rind, David H.; Rinsland, Curtis P.; Waugh, Darryn W.; Wei, Chu-Feng

    1999-01-01

    MM II defined a series of experiments to better understand and characterize model transport and to assess the realism of this transport by comparison to observations. Measurements from aircraft, balloon, and satellite, not yet available at the time of MM I [Prather and Remsberg, 1993], provide new and stringent constraints on model transport, and address the limits of our transport modeling abilities. Simulations of the idealized tracers the age spectrum, and propagating boundary conditions, and conserved HSCT-like emissions probe the relative roles of different model transport mechanisms, while simulations of SF6 and C02 make the connection to observations. Some of the tracers are related, and transport diagnostics such as the mean age can be derived from more than one of the experiments for comparison to observations. The goals of the transport experiments are: (1) To isolate the effects of transport in models from other processes; (2) To assess model transport for realistic tracers (such as SF6 and C02) for comparison to observations; (3) To use certain idealized tracers to isolate model mechanisms and relationships to atmospheric chemical perturbations; (4) To identify strengths and weaknesses of the treatment of transport processes in the models; (5) To relate evaluated shortcomings to aspects of model formulation. The following section are included:Executive Summary, Introduction, Age Spectrum, Observation, Tropical Transport in Models, Global Mean Age in Models, Source-Transport Covariance, HSCT "ANOY" Tracer Distributions, and Summary and Conclusions.

  20. Approach for delineation of contributing areas and zones of transport to selected public-supply wells using a regional ground-water flow model, Palm Beach County, Florida

    USGS Publications Warehouse

    Renken, R.A.; Patterson, R.D.; Orzol, L.L.; Dixon, Joann

    2001-01-01

    Rapid urban development and population growth in Palm Beach County, Florida, have been accompanied with the need for additional freshwater withdrawals from the surficial aquifer system. To maintain water quality, County officials protect capture areas and determine zones of transport of municipal supply wells. A multistep process was used to help automate the delineation of wellhead protection areas. A modular ground-water flow model (MODFLOW) Telescopic Mesh Refinement program (MODTMR) was used to construct an embedded flow model and combined with particle tracking to delineate zones of transport to supply wells; model output was coupled with a geographic information system. An embedded flow MODFLOW model was constructed using input and output file data from a preexisting three-dimensional, calibrated model of the surficial aquifer system. Three graphical user interfaces for use with the geographic information software, ArcView, were developed to enhance the telescopic mesh refinement process. These interfaces include AvMODTMR for use with MODTMR; AvHDRD to build MODFLOW river and drain input files from dynamically segmented linear (canals) data sets; and AvWELL Refiner, an interface designed to examine and convert well coverage spatial data layers to a MODFLOW Well package input file. MODPATH (the U.S. Geological Survey particle-tracking postprocessing program) and MODTOOLS (the set of U.S. Geological Survey computer programs to translate MODFLOW and MODPATH output to a geographic information system) were used to map zones of transport. A steady-state, five-layer model of the Boca Raton area was created using the telescopic mesh refinement process and calibrated to average conditions during January 1989 to June 1990. A sensitivity analysis of various model parameters indicates that the model is most sensitive to changes in recharge rates, hydraulic conductivity for layer 1, and leakance for layers 3 and 4 (Biscayne aquifer). Recharge (58 percent); river (canal

  1. Aerosol transport and wet scavenging in deep convective clouds: a case study and model evaluation using a multiple passive tracer analysis approach

    SciTech Connect

    Yang, Qing; Easter, Richard C.; Campuzano-Jost, Pedro; Jimenez, Jose L.; Fast, Jerome D.; Ghan, Steven J.; Wang, Hailong; Berg, Larry K.; Barth, Mary; Liu, Ying; Shrivastava, ManishKumar B.; Singh, Balwinder; Morrison, H.; Fan, Jiwen; Ziegler, Conrad L.; Bela, Megan; Apel, Eric; Diskin, G. S.; Mikoviny, Tomas; Wisthaler, Armin

    2015-08-20

    The effect of wet scavenging on ambient aerosols in deep, continental convective clouds in the mid-latitudes is studied for a severe storm case in Oklahoma during the Deep Convective Clouds and Chemistry (DC3) field campaign. A new passive-tracer based transport analysis framework is developed to characterize the convective transport based on the vertical distribution of several slowly reacting and nearly insoluble trace gases. The passive gas concentration in the upper troposphere convective outflow results from a mixture of 47