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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. The off-shell c-map

    NASA Astrophysics Data System (ADS)

    Banerjee, Nabamita; de Wit, Bernard; Katmadas, Stefanos

    2016-01-01

    The off-shell version of the c-map is presented, based on a systematic off-shell reduction from four to three space-time dimensions for supergravity theories with eight supercharges. In the reduction, the R-symmetry group is enhanced to local [SU(2)× SU(2)]/{{Z}}_2=SO(4) and the c-map is effected by a parity transformation in the internal space that interchanges the two SU(2) factors. Vector and tensor supermultiplets are each others conjugate under the c-map and both can be dualized in three dimensions to (on-shell) hypermultiplets.

  4. Wilson lines and gauge invariant off-shell amplitudes

    NASA Astrophysics Data System (ADS)

    Kotko, Piotr

    2014-07-01

    We study matrix elements of Fourier-transformed straight infinite Wilson lines as a way to calculate gauge invariant tree-level amplitudes with off-shell gluons. The off-shell gluons are assigned "polarization vectors" which (in the Feynman gauge) are transverse to their off-shell momenta and define the direction of the corresponding Wilson line operators. The infinite Wilson lines are first regularized to prove the correctness of the method. We have implemented the method in a computer FORM program that can calculate gluonic matrix elements of Wilson line operators automatically. In addition we formulate the Feynman rules that are convenient in certain applications, e.g. proving the Ward identities. Using both the program and the Feynman rules we calculate a few examples, in particular the matrix elements corresponding to gauge invariant g * g * g * g and g * g * g * g * g processes. An immediate application of the approach is in the high energy scattering, as in a special kinematic setup our results reduce to the form directly related to Lipatov's vertices. Thus the results we present can be directly transformed into Lipatov's vertices, in particular into RRRP and RRRRP vertices with arbitrary "orientation" of reggeized gluons. Since the formulation itself is not restricted to high-energy scattering, we also apply the method to a decomposition of an ordinary on-shell amplitude into a set of gauge invariant objects.

  5. Scattering amplitudes with off-shell quarks

    NASA Astrophysics Data System (ADS)

    van Hameren, A.; Kutak, K.; Salwa, T.

    2013-11-01

    We present a prescription to calculate manifestly gauge invariant tree-level scattering amplitudes for arbitrary scattering processes with off-shell initial-state quarks within the kinematics of high-energy scattering. Consider the embedding of the process, in which the off-shell u-quark is replaced by an auxiliary quark qA, and an auxiliary photon γA is added in final state. The momentum flow is as if qA carries momentum k1 and the momentum of γA is identical to 0. γA only interacts via Eq. (3), and qA further only interacts with gluons via normal quark-gluon vertices. qA-line propagators are interpreted as iℓ̸1/(2ℓ1ṡp), and are diagonal in color space. Sum the squared amplitude over helicities of the auxiliary photon. For one helicity, simultaneously assign to the external qA-quark and to γA the spinor and polarization vector |ℓ1], {<ℓ1|γμ|ℓ2]}/{√{2}[ℓ1|ℓ2]}, and for the other helicity assign |ℓ1>, {<ℓ2|γμ|ℓ1]}/{√{2}<ℓ2|ℓ1>}. Multiply the amplitude with √{-x1k12/2}. For the rest, normal Feynman rules apply.Some remarks are at order. Regarding the momentum flow, we stress, as in [20], that momentum components proportional to k1 do not contribute in the eikonal propagators, and there is a freedom in the choice of the momenta flowing through qA-lines.Regarding the sum over helicities, one might argue that only one of them leads to a non-zero result for given helicity of the final-state quark, but there may, for example, be several identical such quarks in the final state with different helicities.In case of more than one quark in the final state with the same flavor as the off-shell quark, the rules as such admit graphs with γA-propagators. These must be omitted. They do not survive the limit Λ→∞ in the derivation, since the γA-propagators are suppressed by 1/Λ.The rules regarding the qA-line could be elaborated further like in [20], leading to simplified vertices for gluons attached to this line and reducing the

  6. Deformations with maximal supersymmetries part 2: off-shell formulation

    NASA Astrophysics Data System (ADS)

    Chang, Chi-Ming; Lin, Ying-Hsuan; Wang, Yifan; Yin, Xi

    2016-04-01

    Continuing our exploration of maximally supersymmetric gauge theories (MSYM) deformed by higher dimensional operators, in this paper we consider an off-shell approach based on pure spinor superspace and focus on constructing supersymmetric deformations beyond the first order. In particular, we give a construction of the Batalin-Vilkovisky action of an all-order non-Abelian Born-Infeld deformation of MSYM in the non-minimal pure spinor formalism. We also discuss subtleties in the integration over the pure spinor superspace and the relevance of Berkovits-Nekrasov regularization.

  7. Off-shell hydrodynamics from holography

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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.

  8. 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.

  9. Compton scattering by a pion and off-shell effects

    SciTech Connect

    Scherer, S.; Fearing, H.W. )

    1995-01-01

    We consider Compton scattering by a pion in the framework of chiral perturbation theory. We investigate off-shell effects in the [ital s]- and [ital u]-channel pole diagrams. For that purpose we perform a field transformation which, in comparison with the standard Gasser and Leutwyler Lagrangian, generates additional terms at order [ital p][sup 4] proportional to the lowest-order equation of motion. As a result of the equivalence theorem the two Lagrangians predict the same Compton scattering [ital S]-matrix even though they generate different off-shell form factors. We conclude that off-shell effects are not only model dependent but also representation dependent.

  10. Off-shell effects in Higgs processes at a linear collider and implications for the LHC

    NASA Astrophysics Data System (ADS)

    Liebler, Stefan; Moortgat-Pick, Gudrid; Weiglein, Georg

    2015-06-01

    The importance of off-shell contributions is discussed for H → V V (∗) with V ∈ { Z,W} for large invariant masses m VV involving a standard model (SM)-like Higgs boson with m H = 125 GeV at a linear collider (LC). Both dominant production processes e + e - → ZH → ZV V (∗) and are taken into account, and the signal processes are compared with background yielding the same final state. The relative size of the off-shell contributions is strongly dependent on the centre-of-mass energy. These contributions can have an important impact on the determination of cross sections and branching ratios. However, the combination of on- and off-shell contributions can also be utilised to lift degeneracies allowing to test higher-dimensional operators, unitarity and light and heavy Higgs interferences in extended Higgs sectors. The latter is demonstrated in the context of a 2-Higgs-Doublet model. We also discuss the impact of these aspects for the Large Hadron Collider (LHC) where they are relevant. The importance of a precise measurement of the Higgs mass for on-shell contributions in H → V V (∗) is emphasized. A particular focus is put on methods for extracting the Higgs width at a LC. Off-shell contributions are shown to have a negligible impact on the width determination at low when applying the Z recoil method to extract branching ratios in combination with an appropriate determination of a partial width. On the other hand, off-shell contributions can be exploited to constrain the Higgs width in a similar fashion as in recent analyses at the LHC. It is demonstrated that this approach, besides relying heavily on theoretical assumptions, is affected by the negative interference of Higgs and background contributions that may limit the sensitivity that is achievable with the highest foreseeable statistics at the LHC and a LC.

  11. Chiral perturbation theory and off-shell electromagnetic form factors

    SciTech Connect

    Rudy, T.E.; Fearing, H.W.; Scherer, S.

    1995-05-10

    The off-shell electromagnetic vertex of pions and kaons is calculated to {ital O}({ital p}{sup 4}) in the momentum expansion within the framework of chiral perturbation theory to one loop. The formalism of Gasser and Leutwyler is extended to accommodate the most general form for off-shell Green`s functions in the pseudoscalar meson sector. To that end we identify the structures at {ital O}({ital p}{sup 4}) which were initially removed by using the equation of motion of the lowest-order lagrangian. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  12. Off-Shell Structure of the String Sigma Model

    SciTech Connect

    Alan Kostelecky, V.; Perry, Malcolm J.; Potting, Robertus

    2000-05-15

    The off-shell structure of the string sigma model is investigated. In the open bosonic string, nonperturbative effects appear to depend crucially on the regularization scheme. A scheme retaining the notion of string width reproduces the structure of Witten's string field theory. (c) 2000 The American Physical Society.

  13. Recursion relations for multi-gluon off-shell amplitudes on the light-front and Wilson lines

    NASA Astrophysics Data System (ADS)

    Cruz-Santiago, C.; Kotko, P.; Staśto, A. M.

    2015-06-01

    We analyze the off-shell scattering amplitudes in the framework of the light-front perturbation theory. It is shown that the previously derived recursion relation between tree level off-shell amplitudes in this formalism actually resums whole classes of graphs into a Wilson line. More precisely, we establish a correspondence between the light-front methods for the computation of the off-shell amplitudes and the approach which makes use of the matrix elements of straight infinite Wilson lines, which are manifestly gauge invariant objects. Furthermore, since it is needed to explicitly verify the gauge invariance of light-front amplitudes, it is demonstrated that the Ward identities in this framework need additional instantaneous terms in the light-front graphs.

  14. Next-to-leading order versus quark off-shellness and intrinsic k{sub T} in the Drell-Yan process

    SciTech Connect

    Linnyk, O.; Leupold, S.; Mosel, U.

    2007-01-01

    We calculate the effects of next-to-leading order perturbative QCD as well as of the quark transverse motion and off-shellness on the Drell-Yan process cross section. By studying the s{yields}{infinity} behavior of the cross section in these approaches, we find that the effects of quark off-shellness and intrinsic-k{sub T} parametrize those of higher twists. In particular, the off-shellness of partons generates part of the K-factor type corrections to the leading order cross section. Higher-twist contributions to the p{sub T}-spectrum of the Drell-Yan pairs are found to be large for presently accessible energies. The evolution of quark off-shellness distribution with the hard scale is also studied.

  15. 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.

  16. 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.

  17. Off-shell {rho}-{omega} mixing through quark loops with a nonperturbative meson vertex and quark mass functions

    SciTech Connect

    Mitra, A.N.; Yang, K.

    1995-06-01

    The momentum dependence of the off-shell {rho}-{omega} mixing amplitude is calculated through a two-quark loop diagram, using nonperturbative meson-quark vertex functions for the {rho} and {omega} mesons, as well as nonperturbative quark propagators. Both these quantities are generated self-consistently through an interlinked Bethe-Salpeter equation (BSE) cum Schwinger- Dyson equation (SDE) approach with a 3D support for the BSE kernel with two basic constants that are prechecked against a wide cross section of both meson and baryon spectra within a common structural framework for their respective 3D BSE`s. With the precalibration, the on-shell strength works out at {minus}2.434 {delta}({ital m}{sub {ital q}}{sup 2}) in units of the change in ``constituent mass squared,`` which is consistent with the {ital e}{sup +}{ital e}{sup {minus}} to {pi}{sup +}{pi}{sup {minus}} data for a {ital u}-{ital d} mass difference of 4 MeV, while the relative off-shell strength (0.99{plus_minus}0.01) lies midway between quark-loop and QCD-SR results. We also calculate the photon-mediated {rho}-{omega} propagator whose off-shell structure has an additional pole at {ital q}{sup 2}=0. The implications of these results vis-a-vis related investigations are discussed.

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

    DOE PAGESBeta

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

    2016-06-06

    We study the hadroproduction of a W b 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 appliedmore » to the general case of matrix elements that feature coloured intermediate resonances and are matched to parton showers.« less

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    We study the hadroproduction of a W b 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. 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.

  20. Off-shell electromagnetic form factors of pions and kaons in chiral perturbation theory

    SciTech Connect

    Rudy, T.E.; Fearing, H.W.; Scherer, S. )

    1994-07-01

    The off-shell electromagnetic vertex of a (pseudo)scalar particle contains, in general, two form factors [ital F] and [ital G] which depend, in addition to the squared momentum transfer, on the invariant masses associated with the initial and final legs of the vertex. Chiral perturbation theory to one loop is used to calculate the off-shell form factors of pions and kaons. The formalism of Gasser and Leutwyler, which was previously used to calculate the on-shell limit of the form factor [ital F], is extended to accommodate the most general form for off-shell Green's functions in the pseudoscalar meson sector. We find that chiral symmetry predicts that the form factors [ital F] of the charged pions and kaons go off-shell in the same way, i.e., the off-shell slope at the real photon point is given by the same new phenomenological constant [beta][sub 1]. Furthermore, it is shown that at order [ital p][sup 4] the form factor [ital F] of the [ital K][sup 0] does not show any off-shell dependence. The form factors [ital G] are all related to the form factors [ital F] in the correct fashion as required by the Ward-Takahashi identity. Numerical results for different off-shell kinematics are presented.

  1. Off-shell suppressions and two body radiative processes in a vector dominance model

    SciTech Connect

    Lahiri, A.; Bagchi, B.; Gautam, V.P.; Nandy, A.

    1980-08-01

    The radiative decays of rho,K*, omega and phi are studied in a one-parameter vector dominance model by introducing corrections for the off-shell vector meson-photon coupling constants. It is found that off-shell values rho and omega are suppressed by 1/1.5 while off-shell phi is suppressed by 1/1.9 compared with their on-shell values. In addition, we have also considered P ..-->.. ..gamma.. ..gamma.. decays and sigma/sub tot/ (VP), and found generally good agreement with the available data.

  2. 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.

  3. Novel method to deal with off-shell particles in cascade decays

    NASA Astrophysics Data System (ADS)

    Chakrabortty, Joydeep; Kundu, Anirban; Srivastava, Tripurari

    2016-03-01

    We propose a novel algorithm to compute the width of any generic n -body decay involving multiple off-shell particles having zero and nonzero spins. Starting from a toy example, we show the computations for three different processes that contain spin-0, -1/2 , and -1 off-shell particles. We check that our results match with the existing results at the analytical level. This proposal can be automatized and should be useful to compute the phase space for long cascade decays, without any Monte Carlo sampling.

  4. 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.

  5. Off-shell D-brane action at order α'2 in flat spacetime

    NASA Astrophysics Data System (ADS)

    Garousi, Mohammad R.

    2016-03-01

    We use compatibility of the second fundamental form corrections to Dirac-Born-Infeld action at order α'2 which includes the trace of the second fundamental form, with T-duality and with the linear S-duality as guiding principles, to find an off-shell D-brane action at order α'2 in type II superstring theories in flat spcetime.

  6. Off-shell superconformal nonlinear sigma-models in three dimensions

    NASA Astrophysics Data System (ADS)

    Kuzenko, Sergei M.; Park, Jeong-Hyuck; Tartaglino-Mazzucchelli, Gabriele; von Unge, Rikard

    2011-01-01

    We develop superspace techniques to construct general off-shell mathcal{N} ≤ 4 super-conformal sigma-models in three space-time dimensions. The most general mathcal{N} = 3 and mathcal{N} = 4 superconformal sigma-models are constructed in terms of mathcal{N} = 2 chiral superfields. Several superspace proofs of the folklore statement that mathcal{N} = 3 supersymmetry implies mathcal{N} = 4 are presented both in the on-shell and off-shell settings. We also elaborate on (super)twistor realisations for (super)manifolds on which the three-dimensional mathcal{N} -extended superconformal groups act transitively and which include Minkowski space as a subspace.

  7. Compton scattering from a pion: Off-shell effects and the equivalence theorem

    SciTech Connect

    Scherer, S.; Fearing, H.W.

    1995-05-10

    We consider Compton scattering from a pion in the framework of chiral perturbation theory ({chi}{ital PT}). We investigate off-shell effects in the s- and u-channel pole diagrams. For that purpose we perform a field transformation which, in comparison with the standard Gasser and Leutwyler lagrangian, generates additional terms at order {ital p}{sup 4} proportional to the lowest-order equation of motion. We demonstrate that the two lagrangians which generate different off-shell form factors predict the same Compton scattering S-matrix. This result is interpreted as an application of a generalized equivalence theorem. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  8. Radiative processes of UPSILON and UPSILON' and off-shell suppressions

    SciTech Connect

    Lahiri, A.; Bagchi, B.; Gautam, V.P.

    1980-09-01

    Within the framework of an extended vector-dominance scheme, the various radiative processes of UPSILON and UPSILON' are studied. The rates turn out to be generally much smaller than those of the corresponding psi decays and in some cases too small for direct observation. The off-shell UPSILON-..gamma.. and UPSILON'-..gamma.. coupling constants are found to be suppressed by about a couple of orders of magnitude compared with their on-shell values.

  9. 3-point off-shell vertex in scalar QED in arbitrary gauge and dimension

    SciTech Connect

    Bashir, A.; Concha-Sanchez, Y.; Delbourgo, R.

    2007-09-15

    We calculate the complete one-loop off-shell three-point scalar-photon vertex in arbitrary gauge and dimension for scalar quantum electrodynamics. Explicit results are presented for the particular cases of dimensions 3 and 4 both for massive and massless scalars. We then propose nonperturbative forms of this vertex that coincide with the perturbative answer to order e{sup 2}.

  10. 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.

  11. 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].

  12. 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)

  13. Form factor of the B meson off-shell for the vertex B{sub s}*BK

    SciTech Connect

    Cerqueira, A. Jr.; Bracco, M. E.

    2010-11-12

    In this work we evaluate the coupling constant and the form factor for the vertex B{sub s}*BK using the QCD Sum Rules. In this case we consider the B meson off shell. The only theoretical evaluation for the coupling constant was made using the Heavy Hadron Chiral Perturbation Theory (HHChPT) and we made comparison with this result.

  14. Off-shell D-brane/F-theory effective superpotentials and Ooguri-Vafa invariants of several compact Calabi-Yau manifolds

    NASA Astrophysics Data System (ADS)

    Cheng, Shi; Xu, Feng-Jun; Yang, Fu-Zhong

    2014-04-01

    According to the open-closed mirror symmetry and generalized Gel'fand-Kapranov-Zelerinski (GKZ) system, we calculate off-shell D-brane/F-theory effective superpotentials of four compact Calabi-Yau (CY) manifolds by integrating special periods of subsystem, and extracting the open Ooguri-Vafa invariants from the expansion of off-shell D-brane superpotentials.

  15. 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.

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

    DOE PAGESBeta

    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\

  17. Anisotropic flow in transport + hydrodynamics hybrid approaches

    NASA Astrophysics Data System (ADS)

    Petersen, Hannah

    2014-12-01

    This contribution to the focus issue covers anisotropic flow in hybrid approaches. The historical development of hybrid approaches and their impact on the interpretation of flow measurements is reviewed. The major ingredients of a hybrid approach and the transition criteria between transport and hydrodynamics are discussed. The results for anisotropic flow in (event-by-event) hybrid approaches are presented. Some hybrid approaches rely on hadronic transport for the late stages for the reaction (so called afterburner) and others employ transport approaches for the early non-equilibrium evolution. In addition, there are ‘full’ hybrid calculations where a fluid evolution is dynamically embedded in a transport simulation. After demonstrating the success of hybrid approaches at high Relativistic Heavy Ion Collider and Large Hadron Collider energies, existing hybrid caluclations for collective flow observables at lower beam energies are discussed and remaining challenges outlined.

  18. 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.

  19. Transportation Planning with Immune System Derived Approach

    NASA Astrophysics Data System (ADS)

    Sugiyama, Kenji; Yaji, Yasuhito; Ootsuki, John Takuya; Fujimoto, Yasutaka; Sekiguchi, Takashi

    This paper presents an immune system derived approach for planning transportation of materials between manufacturing processes in the factory. Transportation operations are modeled by Petri Net, and divided into submodels. Transportation orders are derived from the firing sequences of those submodels through convergence calculation by the immune system derived excitation and suppression operations. Basic evaluation of this approach is conducted by simulation-based investigation.

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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%.

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

    DOE PAGESBeta

    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.

  2. 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.

  3. A Structured Approach to Sediment Transport Prediction

    NASA Astrophysics Data System (ADS)

    Wilcock, Peter

    2013-04-01

    There are two types of sediment transport problem. One, flow competence, concerns the conditions that initiate motion of grains on the bed surface. The other, transport capacity, concerns the rate at which sediment is transported and involves sediment found locally on the bed as well as sediment delivered from upstream. The two problems can be linked by the critical stress for incipient motion. A model for critical stress is used directly to predict flow competence. The Ashida/Parker similarity hypothesis provides a useful approximation of transport rates and incorporates local sediment effects entirely via the reference stress, a surrogate for critical stress. Although critical stress is key to both predictions, its application is quite different. The difficult problem of wash load - sizes found in transport in quantities much larger than would be predicted by their presence in the bed - makes the distinction clear and challenges any attempt to predict transport rate from a competence-like approach based on hydraulics and bed material alone. The Shields Diagram and a hiding function provide models for critical stress for uni-size and mixed-size sediment. In addition to grain size - both absolute and relative - other factors alter the critical stress of bed material. These include the proportion of fine-grained material, the aging or freshening of bed material via biologically mediated processes, and the development of bed structure at flows close to the critical stress. Although these factors directly influence the prediction of competent flows, their effect on transport rate is less clear. As flow increases, to what extent does bed strengthening through structuring and other mechanisms persist in dampening transport rate? The answer involves the condition of partial transport in which some grains in a size fraction are active and others remain inactive. Tracing of grains in the flume and field provide guidance on the domain of partial transport and thus on the

  4. 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.

  5. 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

    2016-02-01

    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%. PMID:26894704

  6. 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.; Abbott, B.; Abdallah, J.; Abdinov, O.; Aben, R.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Aguilar-Saavedra, J. A.; Agustoni, M.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimoto, G.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Alimonti, G.; Alio, L.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Altheimer, A.; Alvarez Gonzalez, B.; Piqueras, D. Álvarez; Alviggi, M. G.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amram, N.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Antos, J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnal, V.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Auerbach, B.; Augsten, K.; Aurousseau, M.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Bacci, C.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Badescu, E.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Bain, T.; Baines, J. T.; Baker, O. K.; Balek, P.; Balestri, T.; Balli, F.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Bansil, H. S.; Barak, L.; Baranov, S. P.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisonzi, M.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Bassalat, A.; Basye, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Beccherle, R.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Becker, S.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, W. H.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez Garcia, J. A.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Berghaus, F.; Beringer, J.; Bernard, C.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertsche, C.; Bertsche, D.; Besana, M. I.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethke, S.; Bevan, A. J.; Bhimji, W.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Bieniek, S. P.; Biglietti, M.; Bilbao De Mendizabal, J.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J. -B.; Blanco, J. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Bogaerts, J. A.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bold, T.; Boldea, V.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Borroni, S.; Bortfeldt, J.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Bousson, N.; Boutouil, S.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bozic, I.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Brazzale, S. F.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, K.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Bronner, J.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Brown, J.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Bruschi, M.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Buda, S. I.; Budagov, I. A.; Buehrer, F.; Bugge, L.; Bugge, M. K.

    2015-07-01

    Measurements of the ZZ and WW final states in the mass range above the 2mZ and 2mW 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→4ℓ, ZZ→2ℓ2ν and WW→eνμν 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-1 at a collision energy of √s=8 TeV. Using the CLs method, the observed 95 %% 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 gg→ZZ and gg→WW 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 % CL upper limit on ΓH/ΓSMH in the range 4.5–7.5 (6.5–11.2) using the same variations of the background K-factor. Assuming that the unknown gg→VV background K-factor is equal to the signal K-factor, this translates into an observed (expected) 95 % CL upper limit on the Higgs boson total width of 22.7 (33.0) MeV.

  7. Molecular approach to intracellular cargo transport

    NASA Astrophysics Data System (ADS)

    Yildiz, Ahmet

    2010-03-01

    Landmark discoveries in the study of cytoplasmic motors have been made through advances in single molecule biophysics and detailed mechanistic models exist for kinesin and dynein. However, the function of motors in physiological conditions has not been carefully tested. In cells, more than few dyneins can attach to the same cargo and interact with the opposite polarity motors of kinesin. To study the molecular crosstalk between the motors, we have used intraflagellar transport (IFT) in Chlamydomonas reinhardtii as a model system. Ultrahigh spatio-temporal tracking of single cargo movement showed that IFT particles move for long distances unidirectionally with 8 nm increments, agreeing with measured step sizes of kinesin and dynein. To measure how many motors transport each cargo, we have linked large polystyrene beads to internal IFT particles through a transmembrane protein. Force measurements indicated that, on average, 3-4 motors transport cargoes in each direction. The results showed that IFT motors are tightly coordinated and might be involved in recycling each other to the appropriate end of the flagellum.

  8. TransportTP: A two-phase classification approach for membrane transporter prediction and characterization

    PubMed Central

    2009-01-01

    Background Membrane transporters play crucial roles in living cells. Experimental characterization of transporters is costly and time-consuming. Current computational methods for transporter characterization still require extensive curation efforts, especially for eukaryotic organisms. We developed a novel genome-scale transporter prediction and characterization system called TransportTP that combined homology-based and machine learning methods in a two-phase classification approach. First, traditional homology methods were employed to predict novel transporters based on sequence similarity to known classified proteins in the Transporter Classification Database (TCDB). Second, machine learning methods were used to integrate a variety of features to refine the initial predictions. A set of rules based on transporter features was developed by machine learning using well-curated proteomes as guides. Results In a cross-validation using the yeast proteome for training and the proteomes of ten other organisms for testing, TransportTP achieved an equivalent recall and precision of 81.8%, based on TransportDB, a manually annotated transporter database. In an independent test using the Arabidopsis proteome for training and four recently sequenced plant proteomes for testing, it achieved a recall of 74.6% and a precision of 73.4%, according to our manual curation. Conclusions TransportTP is the most effective tool for eukaryotic transporter characterization up to date. PMID:20003433

  9. 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.

  10. QCD corrections to vector boson pair production in gluon fusion including interference effects with off-shell Higgs at the LHC

    NASA Astrophysics Data System (ADS)

    Caola, Fabrizio; Dowling, Matthew; Melnikov, Kirill; Röntsch, Raoul; Tancredi, Lorenzo

    2016-07-01

    We compute next-to-leading order (NLO) QCD corrections to the production of two massive electroweak bosons in gluon fusion. We consider both the prompt production process gg → V V and the production mediated by an exchange of an s-channel Higgs boson, gg → H ∗ → V V . We include final states with both on- and off-shell vector bosons with leptonic decays. The gluonic production of vector bosons is a loop-induced process, including both massless and massive quarks in the loop. For gg → ZZ production, we obtain the NLO QCD corrections to the massive loops through an expansion around the heavy top limit. This approximation is valid below the top production threshold, giving a broad range of invariant masses between the Higgs production and the top production thresholds in which our results are valid. We explore the NLO QCD effects in gg → ZZ focusing, in particular, on the interference between prompt and Higgs-mediated processes. We find that the QCD corrections to the interference are large and similar in size to the corrections to both the signal and the background processes. At the same time, we observe that corrections to the interference change rapidly with the four-lepton invariant mass in the region around the ZZ production threshold. We also study the interference effects in gg → W + W - production where, due to technical limitations, we only consider contributions of massless loops. We find that the QCD corrections to the interference in this case are somewhat larger than those for either the signal or the background.

  11. 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.

  12. Towards a transport approach that acknowledges mixing and dispersion.

    NASA Astrophysics Data System (ADS)

    Carrera, J.; soler Sagarra, J.; de Dreuzy, J. R.; Dentz, M.

    2014-12-01

    It is generally accepted that the Advection-Dispersion Equation (ADE) is a poor representation of transport for problems beyond assessing the extent of a solute plume. Specifically, mixing must be honored for proper assessment of chemical reactions. Therefore, it is necessary to develop a transport approach that acknowledges dispersion (for adequate representation of solute spreading) and mixing (for adequate representation of chemical reactions). Non-local in time solute transport formulations have been considered a hopeful alternative to the ADE because they overcome many of its limitations. We have computed the deviation from gaussian mixing obtained in transport through highly heterogeneous media and compared it with that of non-local in time formulations. We find that these underestimate such deviation. Therefore, they are not sufficient; more sophisticated approaches are needed. An appealing option is to extend non-locality also to space, but this opens a broad range of possibilities. We explore some non-local in space and time formulations, so as to define the constraints that these must meet in order to be valid representations (valid in the sense of reproducing the actual spreading and mixing rates) of solute transport through heterogeneous media.

  13. Langevin equation approach to reactor noise analysis: stochastic transport equation

    SciTech Connect

    Akcasu, A.Z. ); Stolle, A.M. )

    1993-01-01

    The application of the Langevin equation method to the study of fluctuations in the space- and velocity-dependent neutron density as well as in the detector outputs in nuclear reactors is presented. In this case, the Langevin equation is the stochastic linear neutron transport equation with a space- and velocity-dependent random neutron source, often referred to as the noise equivalent source (NES). The power spectral densities (PSDs) of the NESs in the transport equation, as well as in the accompanying detection rate equations, are obtained, and the cross- and auto-power spectral densities of the outputs of pairs of detectors are explicitly calculated. The transport-level expression for the R([omega]) ratio measured in the [sup 252]Cf source-driven noise analysis method is also derived. Finally, the implementation of the Langevin equation approach at different levels of approximation is discussed, and the stochastic one-speed transport and one-group P[sub 1] equations are derived by first integrating the stochastic transport equation over speed and then eliminating the angular dependence by a spherical harmonics expansion. By taking the large transport rate limit in the P[sub 1] description, the stochastic diffusion equation is obtained as well as the PSD of the NES in it. This procedure also leads directly to the stochastic Fick's law.

  14. Novel Approaches to Adaptive Angular Approximations in Computational Transport

    SciTech Connect

    Marvin L. Adams; Igor Carron; Paul Nelson

    2006-06-04

    The particle-transport equation is notoriously difficult to discretize accurately, largely because the solution can be discontinuous in every variable. At any given spatial position and energy E, for example, the transport solution  can be discontinuous at an arbitrary number of arbitrary locations in the direction domain. Even if the solution is continuous it is often devoid of smoothness. This makes the direction variable extremely difficult to discretize accurately. We have attacked this problem with adaptive discretizations in the angle variables, using two distinctly different approaches. The first approach used wavelet function expansions directly and exploited their ability to capture sharp local variations. The second used discrete ordinates with a spatially varying quadrature set that adapts to the local solution. The first approach is very different from that in today’s transport codes, while the second could conceivably be implemented in such codes. Both approaches succeed in reducing angular discretization error to any desired level. The work described and results presented in this report add significantly to the understanding of angular discretization in transport problems and demonstrate that it is possible to solve this important long-standing problem in deterministic transport. Our results show that our adaptive discrete-ordinates (ADO) approach successfully: 1) Reduces angular discretization error to user-selected “tolerance” levels in a variety of difficult test problems; 2) Achieves a given error with significantly fewer unknowns than non-adaptive discrete ordinates methods; 3) Can be implemented within standard discrete-ordinates solution techniques, and thus could generate a significant impact on the field in a relatively short time. Our results show that our adaptive wavelet approach: 1) Successfully reduces the angular discretization error to arbitrarily small levels in a variety of difficult test problems, even when using the

  15. An algebraic approach to BCJ numerators

    NASA Astrophysics Data System (ADS)

    Fu, Chih-Hao; Du, Yi-Jian; Feng, Bo

    2013-03-01

    One important discovery in recent years is that the total amplitude of gauge theory can be written as BCJ form where kinematic numerators satisfy Jacobi identity. Although the existence of such kinematic numerators is no doubt, the simple and explicit construction is still an important problem. As a small step, in this note we provide an algebraic approach to construct these kinematic numerators. Under our Feynman-diagram-like construction, the Jacobi identity is manifestly satisfied. The corresponding color ordered amplitudes satisfy off-shell KK-relation and off-shell BCJ relation similar to the color ordered scalar theory. Using our construction, the dual DDM form is also established.

  16. A Formal Approach for Milk-Run Transport Logistics

    NASA Astrophysics Data System (ADS)

    Satoh, Ichiro

    A formal approach for specifying and reasoning about earth-friendly logistics management systems is presented. To reduce fossil fuel consumption and carbon dioxide emissions resulting from transport, we must enhance the transport efficiency of trucks, which play an essential role as carriers in modern logistics services. This paper addresses the milk-run approach. It is one of the most effective and popular solutions to this problem, but it makes it be complicated to implement in a logistics management system. We propose a language for specifying the routes of trucks and an order relation between the requirements of routes and the possible routes of trucks. The former is formulated as process calculus and the latter selects suitable trucks according to their routes.

  17. Multidrug resistance ABC transporter structure predictions by homology modeling approaches.

    PubMed

    Honorat, Mylène; Falson, Pierre; Terreux, Raphael; Di Pietro, Attilio; Dumontet, Charles; Payen, Léa

    2011-03-01

    Human multidrug resistance ABC transporters are ubiquitous membrane proteins responsible for the efflux of multiple, endogenous or exogenous, compounds out of the cells, and therefore they are involved in multi-drug resistance phenotype (MDR). They thus deeply impact the pharmacokinetic parameters and toxicity properties of drugs. A great pressure to develop inhibitors of these pumps is carried out, by either ligand-based drug design or (more ideally) structure-based drug design. In that goal, many biochemical studies have been carried out to characterize their transport functions, and many efforts have been spent to get high-resolution structures. Currently, beside the 3D-structures of bacterial ABC transporters Sav1866 and MsbA, only the mouse ABCB1 complete structure has been published at high-resolution, illustrating the tremendous difficulty in getting such information, taking into account that the human genome accounts for 48 ABC transporters encoding genes. Homology modeling is consequently a reasonable approach to overcome this obstacle. The present review describes, in the first part, the different approaches which have been published to set up human ABC pump 3D-homology models allowing the localization of binding sites for drug candidates, and the identification of critical residues therein. In a second part, the review proposes a more accurate strategy and practical keys to use such biological tools for initiating structure-based drug design. PMID:21470105

  18. Global variational approach to elliptic transport barriers in three dimensions

    NASA Astrophysics Data System (ADS)

    Oettinger, David; Blazevski, Daniel; Haller, George

    2016-03-01

    We introduce an approach to identify elliptic transport barriers in three-dimensional, time-aperiodic flows. Obtained as Lagrangian Coherent Structures (LCSs), the barriers are tubular non-filamenting surfaces that form and bound coherent material vortices. This extends a previous theory of elliptic LCSs as uniformly stretching material surfaces from two-dimensional to three-dimensional flows. Specifically, we obtain explicit expressions for the normals of pointwise (near-) uniformly stretching material surfaces over a finite time interval. We use this approach to visualize elliptic LCSs in steady and time-aperiodic ABC-type flows.

  19. Global variational approach to elliptic transport barriers in three dimensions.

    PubMed

    Oettinger, David; Blazevski, Daniel; Haller, George

    2016-03-01

    We introduce an approach to identify elliptic transport barriers in three-dimensional, time-aperiodic flows. Obtained as Lagrangian Coherent Structures (LCSs), the barriers are tubular non-filamenting surfaces that form and bound coherent material vortices. This extends a previous theory of elliptic LCSs as uniformly stretching material surfaces from two-dimensional to three-dimensional flows. Specifically, we obtain explicit expressions for the normals of pointwise (near-) uniformly stretching material surfaces over a finite time interval. We use this approach to visualize elliptic LCSs in steady and time-aperiodic ABC-type flows. PMID:27036192

  20. Two-stream approach to electron transport and thermalization

    SciTech Connect

    Stamnes, K.

    1981-04-01

    An explicit solution to the electron transport and energy degradation problem is presented in the two-stream approximation. The validity of this simple approach is discussed, and it is shown that it can be extended to high electron energies (appropriate for applications to auroras) provided the coupling between the two streams, described by the backscatter ratio, is correctly estimated. A simple formula for the backscatter ratio which can be used at all energies is derived.

  1. 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.

  2. 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

  3. An alternative approach to charge transport in semiconducting electrodes

    NASA Technical Reports Server (NTRS)

    Thomchick, J.; Buoncristiani, A. M.

    1980-01-01

    The excess-carrier charge transport through the space-charge region of a semiconducting electrode is analyzed by a technique known as the flux method. In this approach reflection and transmission coefficients appropriate for a sheet of uniform semiconducting material describe its transport properties. A review is presented of the flux method showing that the results for a semiconductor electrode reduce in a limiting case to those previously found by Gaertner if the depletion layer is treated as a perfectly transmitting medium in which scattering and recombination are ignored. Then, in the framework of the flux method the depletion layer is considered more realistically by explicitly taking into account scattering and recombination processes which occur in this region.

  4. 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

  5. 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. !

  6. On the behavior of approaches to simulate reactive transport.

    PubMed

    Saaltink, M W; Carrera, J; Ayora, C

    2001-04-01

    Two families of approaches exist to simulate reactive transport in groundwater: The Direct Substitution Approach (DSA), based on Newton-Raphson and the Picard or Sequential Iteration Approach (SIA). We applied basic versions of both methods to several test cases and compared both computational demands and quality of the solution for varying grid size. Results showed that the behavior of the two approaches is sensitive to both grid size and chemistry. As a general rule, the DSA is more robust than the SIA, in the sense that its convergence is less sensitive to time step size (any approach will converge given a sufficiently small time step). Moreover, the DSA leads to a better simulation of sharp fronts, which can only be reproduced with fine grids after many iterations when the SIA is used. As a consequence, the DSA runs faster than SIA in chemically difficult cases (i.e., highly non-linear and/or very retarded), because the SIA may require very small time steps to converge. On the other hand, the size of the system of equations is much larger for the DSA than for the SIA, so that its CPU time and memory requirements tend to be less favorable with increasing grid size. As a result, the SIA may become faster than the DSA for very large, chemically simple problems. The use of an iterative linear solver for the DSA makes its CPU time less sensitive to grid size. PMID:11285932

  7. Understanding phonon transport in thermoelectric materials using ab initio approaches

    NASA Astrophysics Data System (ADS)

    Broido, David

    Good thermoelectric materials have low phonon thermal conductivity, kph. Accurate theories to describe kph are important components in developing predictive models of thermoelectric efficiency that can help guide synthesis and measurement efforts. We have developed ab initio approaches to calculate kph, in which phonon modes and phonon scattering rates are computed using interatomic force constants determined from density functional theory, and a full solution of the Boltzmann transport equation for phonons is implemented. A recent approach to calculate interatomic force constants using ab initio molecular dynamics has yielded a good description of the thermal properties of Bi2Te3. But, the complexity of new promising candidate thermoelectric materials introduces computational challenges in assessing their thermal properties. An example is germanane, a germanium based hydrogen-terminated layered semiconductor, which we will discuss in this talk.

  8. 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.

  9. Radiogenic isotopic approaches for quantifying radionuclide transport (Invited)

    NASA Astrophysics Data System (ADS)

    Maher, K.; Depaolo, D. J.; Singleton, M. J.; Christensen, J. N.; Conrad, M. E.

    2009-12-01

    Naturally occurring variations in the isotopic compositions of U and Sr provide unique opportunities for assessing the fate and transport of radionuclides at field-scale conditions. When coupled with reactive transport models, U and Sr isotopes may also provide additional constraints on the rates of sediment-fluid or sediment-waste interactions. Such isotopic approaches can be useful for sites where subsurface characterization is complicated by a lack of accessibility or the presence of substantial heterogeneity. In addition, a variety of quantitative modeling approaches of different complexity can be used to evaluate experimentally determined parameters for radionuclide mobility at the field-scale. At the Hanford Site in eastern Washington, 87Sr/86Sr and 234U/238U ratios have been used to quantify the residence time of Sr and U in the unsaturated zone, the long-term background infiltration rate through the unsaturated zone, and to assess the influence of enhanced wastewater discharge on the regional unconfined aquifer. As a result of different processing techniques or due to interactions between caustic waste and the natural sediment, waste plumes may also inherit isotopic fingerprints (e.g. 234U/238U, 235U/238U, 236U/238U; δ15N & δ18O of nitrate) that can be used to resolve multiple sources of contamination. Finally, enriched isotopic tracers can be applied to experimental manipulations to assess the retardation of a variety of contaminants. Collectively this isotopic data contributes unique perspectives on both the hydrologic conditions across the site and the mobility of key radionuclides. Predicting the long-term fate and transport of radionuclides in the environment is often challenging due to natural heterogeneity and incomplete characterization of the subsurface, however detailed analysis of isotopic variations can provide one additional means of characterizing the subsurface.

  10. Proton transport model in the ionosphere 1. Multistream approach of the transport equations

    NASA Astrophysics Data System (ADS)

    Galand, M.; Lilensten, J.; Kofman, W.; Sidje, R. B.

    1997-09-01

    The suprathermal particles, electrons and protons, coming from the magnetosphere and precipitating into the high-latitude atmosphere are an energy source of the Earth's ionosphere. They interact with ambient thermal gas through inelastic and elastic collisions. The physical quantities perturbed by these precipitations, such as the heating rate, the electron production rate, or the emission intensities, can be provided in solving the kinetic stationary Boltzmann equation. This equation yields particle fluxes as a function of altitude, energy, and pitch angle. While this equation has been solved through different ways for the electron transport and fully tested, the proton transport is more complicated. Because of charge-changing reactions, the latter is a set of two-coupled transport equations that must be solved: one for protons and the other for H atoms. We present here a new approach that solves the multistream proton/hydrogen transport equations encompassing the collision angular redistributions and the magnetic mirroring effect. In order to validate our model we discuss the energy conservation and we compare with another model under the same inputs and with rocket observations. The influence of the angular redistributions is discussed in a forthcoming paper.

  11. 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.

  12. 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

  13. 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.

  14. Reconciling perturbative approaches in phonon-assisted transport junctions

    NASA Astrophysics Data System (ADS)

    Agarwalla, Bijay Kumar; Segal, Dvira

    2016-02-01

    We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a donor-acceptor junction in which electron transfer is coupled to nuclear motion, modeled by a harmonic vibrational mode. This primary mode is further coupled to secondary phonon modes, a thermal bath. Assuming weak electron-phonon coupling but an arbitrary large molecule-metal hybridization, we compute several non-equilibrium transport quantities: the mean phonon number of the primary mode, charge current statistics. We further present scaling relations for the cumulants valid in the large voltage regime. Our analysis illustrates that the non-equilibrium Green's function technique and the quantum master equation method can be worked out consistently, when taking into account corresponding scattering processes.

  15. Reconciling perturbative approaches in phonon-assisted transport junctions.

    PubMed

    Agarwalla, Bijay Kumar; Segal, Dvira

    2016-02-21

    We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a donor-acceptor junction in which electron transfer is coupled to nuclear motion, modeled by a harmonic vibrational mode. This primary mode is further coupled to secondary phonon modes, a thermal bath. Assuming weak electron-phonon coupling but an arbitrary large molecule-metal hybridization, we compute several non-equilibrium transport quantities: the mean phonon number of the primary mode, charge current statistics. We further present scaling relations for the cumulants valid in the large voltage regime. Our analysis illustrates that the non-equilibrium Green's function technique and the quantum master equation method can be worked out consistently, when taking into account corresponding scattering processes. PMID:26896971

  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. 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

  18. 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

  19. A Fuzzy Modeling Approach to Road Transport with Application to a Case of Spent Nuclear Fuel Transport

    SciTech Connect

    Marseguerra, Marzio; Zio, Enrico; Bianchi, Mauro

    2004-06-15

    In this paper, we propose a general fuzzy inference approach to building a model of hazardous road transport that relates given traffic, weather, and vehicle-speed conditions to the accident rate. The development of the model is discussed in detail, and its validation is provided with reference to literature data regarding the transport of spent nuclear fuel to its final confinement repository.

  20. 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.

  1. 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.

  2. 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.

  3. Transport Coefficients of High Temperature SF6 in Local Thermodynamic Equilibrium Using a Phenomenological Approach

    NASA Astrophysics Data System (ADS)

    Wang, Wei-Zong; Rong, Ming-Zhe; Yang, Fei; Wu, Yi

    2014-03-01

    The transport coefficients of high temperature sulfur hexafluoride (SF6) plasmas in local thermodynamic equilibrium are calculated using collision integrals derived in a phenomenological approach which could be a valuable tool in the calculation of complete data sets for complex mixtures, including interactions hardly handled in the accurate multipotential methods. A systematic comparison with transport coefficients obtained using an old data set and experimental test is performed to check the reliability of the proposed approach in evaluating transport cross sections.

  4. 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.

  5. A new continuum approach for nonlinear kinetic simulation and transport analysis

    SciTech Connect

    Dai, Zongliang Wang, Shaojie; Xu, Yingfeng; Ye, Lei; Xiao, Xiaotao

    2015-02-15

    A numerical code based on the I-transform approach is developed to solve the nonlinear Vlasov equation and carry out the transport analysis. The numerical results given by the I-transform approach agree with the conservative semi-Lagrangian approach in the Landau damping case and the bump-on-tail instability case. The diffusivities induced by the random fields and the quasilinear transport are also successfully demonstrated by using the new approach. It is found that the nonlinear transport in the one-dimensional Langmuir turbulence cannot be well-described by a simple diffusion model, due to the strong particle trapping at the nonlinear stage.

  6. NASA's approach to commercial cargo and crew transportation

    NASA Astrophysics Data System (ADS)

    Stone, Dennis; Lindenmoyer, Alan; French, George; Musk, Elon; Gump, David; Kathuria, Chirinjeev; Miller, Charles; Sirangelo, Mark; Pickens, Tom

    2008-07-01

    To stimulate the commercial space industry and potentially serve the logistics needs of the International Space Station (ISS) in the post-Space Shuttle era, the National Aeronautics and Space Administration (NASA) in 2006 began the Commercial Orbital Transportation Services (COTS) initiative. NASA entered into agreements with two U.S. firms, Rocketplane Kistler and Space Exploration Technologies to share up to 485,000,000 USD to demonstrate cargo transportation services to and from Low Earth orbit (LEO), with an option for additional funds to demonstrate human transportation services. Subsequently, NASA also entered into unfunded agreements with five companies to develop innovative space transportation capabilities. This paper reviews this unique initiative, describes the concepts of these seven companies, and discusses the potential of this emerging industry to make LEO more accessible.

  7. Thermodynamically constrained averaging theory approach for modeling flow and transport phenomena in porous medium systems: 4. Species transport fundamentals

    NASA Astrophysics Data System (ADS)

    Miller, Cass T.; Gray, William G.

    2008-03-01

    This work is the fourth in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach for modeling flow and transport phenomena in multiscale porous medium systems. The general TCAT framework and the mathematical foundation presented in previous works are built upon by formulating macroscale models for conservation of mass, momentum, and energy, and the balance of entropy for a species in a phase volume, interface, and common curve. In addition, classical irreversible thermodynamic relations for species in entities are averaged from the microscale to the macroscale. Finally, we comment on alternative approaches that can be used to connect species and entity conservation equations to a constrained system entropy inequality, which is a key component of the TCAT approach. The formulations detailed in this work can be built upon to develop models for species transport and reactions in a variety of multiphase systems.

  8. 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.

  9. 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. PMID:12714290

  10. 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.

  11. A Heuristic Approach for International Crude Oil Transportation Scheduling Problems

    NASA Astrophysics Data System (ADS)

    Yin, Sisi; Nishi, Tatsushi; Izuno, Tsukasa

    In this paper, we propose a heuristic algorithm to solve a practical ship scheduling problem for international crude oil transportation. The problem is considered as a vehicle routing problem with split deliveries. The objective of this paper is to find an optimal assignment of tankers, a sequence of visiting and loading volume simultaneously in order to minimize the total distance satisfying the capacity of tankers. A savings-based meta-heuristic algorithm with lot sizing parameters and volume assignment heuristic is developed. The proposed method is applied to solve a case study with real data. Computational results demonstrate the effectiveness of the heuristic algorithm compared with that of human operators.

  12. A Lagrangian Approach to Modelling Proppant Transport with Tip Screen-Out in KGD Hydraulic Fractures

    NASA Astrophysics Data System (ADS)

    Dontsov, E. V.; Peirce, A. P.

    2015-11-01

    This study introduces a continuum approach to model proppant transport in hydraulic fractures in a Lagrangian frame of reference. The model for the proppant transport is based on the recently obtained slurry flow solution inside a channel, where the latter utilizes a phenomenological constitutive relationship for a slurry. This approach allows us to describe the transition from Poiseuille flow with an effective viscosity to Darcy flow as the particle concentration increases towards the maximum value. The algorithm is presented for the one-dimensional case, for which propagation of a symmetric Kristinovich-Zheltov-Geertsma-De Klerk fracture is considered. To examine the effectiveness of the Lagrangian approach for proppant transport modelling, a set of parameters, for which proppant particles reach the fracture tip and cause the development of a proppant plug is selected. In this situation, the coupling between the hydraulic fracture propagation and proppant transport is the most significant. To estimate the accuracy of the Lagrangian proppant transport model, the results are compared to the predictions of an Eulerian proppant transport model, which utilizes the same algorithm for hydraulic fracture propagation. It is shown that, although both approaches have the same convergence rate, the error of the Lagrangian approach is three to five times smaller, which depends on the number of proppant elements used in the Lagrangian approach. This permits us to use a coarser mesh for hydraulic fracture propagation, and to obtain results with similar accuracy up to a hundred times faster.

  13. A Dynamic Tree Approach to Environmental Transport on Hillslopes

    NASA Astrophysics Data System (ADS)

    Passalacqua, P.; Zaliapin, I.; Foufoula-Georgiou, E.; Ghil, M.; Dietrich, W. E.

    2010-12-01

    The concept of dynamic tree was introduced in Zaliapin et al. (2010) as the basis of an extended conceptual framework to study the transport of spatially heterogeneous fluxes as they propagate down a network of a given topology. Here we are interested in extending this framework over the whole basin by incorporating the hillslope paths and their geometry, which are known to differ from those of the river network. Focusing on the fluxes that start at a source, propagate downstream and have constant velocity, we first capture the static structure of the hillslope network by representing it by a tree (static tree). We then describe the transport down the hillslope tree as a particular case of nearest-neighbor hierarchical aggregation and thus obtaining the so-called dynamic tree. The properties of both the dynamic and static trees are analyzed by applying Horton-Strahler and Tokunaga taxonomies. The results obtained in three hillslope areas of different characteristics, two located in California and one in Oregon, show that both the static and the dynamic tree can be well approximated by Tokunaga self-similar trees (SSTs), in agreement with what previously obtained for the channelized paths of the river network but with different parameters. The degree of side branching is larger for the static tree than for the dynamic. We also observed a phase transition in the dynamics of the three systems which reflects an abrupt emergence of a giant cluster of connected streams.

  14. Conformal supergravity in five dimensions: new approach and applications

    NASA Astrophysics Data System (ADS)

    Butter, Daniel; Kuzenko, Sergei M.; Novak, Joseph; Tartaglino-Mazzucchelli, Gabriele

    2015-02-01

    We develop a new off-shell formulation for five-dimensional (5D) conformal supergravity obtained by gauging the 5D superconformal algebra in superspace. An important property of the conformal superspace introduced is that it reduces to the super-conformal tensor calculus (formulated in the early 2000's) upon gauging away a number of superfluous fields. On the other hand, a different gauge fixing reduces our formulation to the SU(2) superspace of arXiv:0802.3953, which is suitable to describe the most general off-shell supergravity-matter couplings. Using the conformal superspace approach, we show how to reproduce practically all off-shell constructions derived so far, including he supersymmetric extensions of R 2 terms, thus demonstrating the power of our formulation. Furthermore, we construct for the first time a supersymmetric completion of the Ricci tensor squared term using the standard Weyl multiplet coupled to an off-shell vector multiplet. In addition, we present several procedures to generate higher-order off-shell invariants in supergravity, including higher-derivative ones. The covariant projective multiplets proposed in arXiv:0802.3953 are lifted to conformal superspace, and a manifestly superconformal action principle is given. We also introduce unconstrained prepotentials for the vector multiplet, the multiplet (i.e., the linear multiplet without central charge) and multiplets, with n = 0 , 1 , . . . Superform formulations are given for the BF action and the non-abelian Chern-Simons action. Finally, we describe locally supersymmetric theories with gauged central charge in conformal superspace.

  15. 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. PMID:23005215

  16. 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.

  17. PROGRESS REPORT. QUANTIFYING VADOSE ZONE FLOW AND TRANSPORT UNCERTAINTIES USING A UNIFIED, HIERARCHICAL APPROACH

    EPA Science Inventory

    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 un...

  18. ANNUAL REPORT. QUANTIFYING VADOSE ZONE FLOW AND TRANSPORT UNCERTAINTIES USING A UNIFIED, HIERARCHICAL APPROACH

    EPA Science Inventory

    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 un...

  19. A finite element approach for modeling photon transport in tissue.

    PubMed

    Arridge, S R; Schweiger, M; Hiraoka, M; Delpy, D T

    1993-01-01

    The use of optical radiation in medical physics is important in several fields for both treatment and diagnosis. In all cases an analytic and computable model of the propagation of radiation in tissue is essential for a meaningful interpretation of the procedures. A finite element method (FEM) for deriving photon density inside an object, and photon flux at its boundary, assuming that the photon transport model is the diffusion approximation to the radiative transfer equation, is introduced herein. Results from the model for a particular case are given: the calculation of the boundary flux as a function of time resulting from a delta-function input to a two-dimensional circle (equivalent to a line source in an infinite cylinder) with homogeneous scattering and absorption properties. This models the temporal point spread function of interest in near infrared spectroscopy and imaging. The convergence of the FEM results are demonstrated, as the resolution of the mesh is increased, to the analytical expression for the Green's function for this system. The diffusion approximation is very commonly adopted as appropriate for cases which are scattering dominated, i.e., where mu s > mu a, and results from other workers have compared it to alternative models. In this article a high degree of agreement with a Monte Carlo method is demonstrated. The principle advantage of the FE method is its speed. It is in all ways as flexible as Monte Carlo methods and in addition can produce photon density everywhere, as well as flux on the boundary. One disadvantage is that there is no means of deriving individual photon histories. PMID:8497214

  20. Comparison of solution approaches for the two-domain model of nonequilibrium transport in porous media

    NASA Astrophysics Data System (ADS)

    Gallo, Claudio; Paniconi, Claudio; Gambolati, Giuseppe

    The two-domain concept is widely used in modelling transport in heterogeneous porous media and transport of rate-limited sorbing contaminants. When a first-order kinetic relationship is used to represent the transfer of mass between domains, the model can be expressed as a modified advection-dispersion equation describing general transport coupled to a first-order ordinary differential equation accounting for mass transfer. Different approaches can be used to solve the resulting system, including: simultaneously solving the coupled transport and kinetic equations; discretising and algebraically solving the mass transfer equation and substituting it into the transport equation; solving the mass transfer equation analytically and substituting the integral solution into the transport equation to obtain a single integro-differential equation; and solving the system in Laplace space and back-transforming the solution into the time domain. These four approaches — coupled, algebraic substitution, integro-differential, and finite element Laplace transform (FELT) — are evaluated on the basis of their general features and on their performance in two test cases. The results indicate that the algebraic substitution approach is robust and, on scalar computers, verr efficient. The FELT approach is easily parallelised and achieves good speed-up on supercomputers, but the method is restricted to time-invariant velocity and saturation fields, and is only useful for obtaining the solution at or not too far from the maximum simulation time. The integro-differential method is as efficient as but less robust than the algebraic substitution approach, requiring a small time step size when the mass transfer coefficient is very large. Finally, the coupled approach is robust and flexible, but requires the solution of a system of equations twice as large as the other methods. On balance, the algebraic substitution and, to a lesser extent, the integro-differential methods appear to be the

  1. Transport through a correlated interface: Auxiliary master equation approach

    NASA Astrophysics Data System (ADS)

    Titvinidze, Irakli; Dorda, Antonius; von der Linden, Wolfgang; Arrigoni, Enrico

    2015-12-01

    We present improvements of a recently introduced numerical method [E. Arrigoni et al., Phys. Rev. Lett. 110, 086403 (2013), 10.1103/PhysRevLett.110.086403] to compute steady-state properties of strongly correlated electronic systems out of equilibrium. The method can be considered as a nonequilibrium generalization of exact diagonalization based dynamical mean-field theory (DMFT). The key modification for the nonequilibrium situation consists in addressing the DMFT impurity problem within an auxiliary system consisting of the correlated impurity, Nb uncorrelated bath sites, and two Markovian environments (sink and reservoir). Algorithmic improvements in the impurity solver allow to treat efficiently larger values of Nb than previously in DMFT. This increases the accuracy of the results and is crucial for a correct description of the physical behavior of the system in the relevant parameter range including a semiquantitative description of the Kondo regime. To illustrate the approach, we consider a monoatomic layer of correlated orbitals, described by the single-band Hubbard model, attached to two metallic leads. The nonequilibrium situation is driven by a bias voltage applied to the leads. For this system, we investigate the spectral function and the steady-state current-voltage characteristics in the weakly as well as in the strongly interacting limit. In particular, we investigate the nonequilibrium behavior of quasiparticle excitations within the Mott gap of the correlated layer. We find for low-bias voltage Kondo-type behavior in the vicinity of the insulating phase. In particular, we observe a splitting of the Kondo resonance as a function of the bias voltage.

  2. Simulated vortex encounters by a twin-engine commercial transport aircraft during final approach

    NASA Technical Reports Server (NTRS)

    Hastings, E. C., Jr.; Keyser, G. L., Jr.

    1980-01-01

    Piloted simulations of encounters with vortices of various ages and degrees of attenuation were performed with the Visual Motion Simulator. In the simulations, a twin-engine, commercial transport on final approach encountered the modeled vortices of a four-engine, wide-body, commercial transport. The data in this report show the effect of vortex age and ground effect on the severity of the initial upset, as well as the effect of the vortex encounters on the landing capability.

  3. Physical context for theoretical approaches to sediment transport magnitude-frequency analysis in alluvial channels

    NASA Astrophysics Data System (ADS)

    Sholtes, Joel; Werbylo, Kevin; Bledsoe, Brian

    2014-10-01

    Theoretical approaches to magnitude-frequency analysis (MFA) of sediment transport in channels couple continuous flow probability density functions (PDFs) with power law flow-sediment transport relations (rating curves) to produce closed-form equations relating MFA metrics such as the effective discharge, Qeff, and fraction of sediment transported by discharges greater than Qeff, f+, to statistical moments of the flow PDF and rating curve parameters. These approaches have proven useful in understanding the theoretical drivers behind the magnitude and frequency of sediment transport. However, some of their basic assumptions and findings may not apply to natural rivers and streams with more complex flow-sediment transport relationships or management and design scenarios, which have finite time horizons. We use simple numerical experiments to test the validity of theoretical MFA approaches in predicting the magnitude and frequency of sediment transport. Median values of Qeff and f+ generated from repeated, synthetic, finite flow series diverge from those produced with theoretical approaches using the same underlying flow PDF. The closed-form relation for f+ is a monotonically increasing function of flow variance. However, using finite flow series, we find that f+ increases with flow variance to a threshold that increases with flow record length. By introducing a sediment entrainment threshold, we present a physical mechanism for the observed diverging relationship between Qeff and flow variance in fine and coarse-bed channels. Our work shows that through complex and threshold-driven relationships sediment transport mode, channel morphology, flow variance, and flow record length all interact to influence estimates of what flow frequencies are most responsible for transporting sediment in alluvial channels.

  4. A Functional Genomics Approach to Establish the Complement of Carbohydrate Transporters in Streptococcus pneumoniae

    PubMed Central

    Bidossi, Alessandro; Mulas, Laura; Decorosi, Francesca; Colomba, Leonarda; Ricci, Susanna; Pozzi, Gianni; Deutscher, Josef; Viti, Carlo; Oggioni, Marco Rinaldo

    2012-01-01

    The aerotolerant anaerobe Streptococcus pneumoniae is part of the normal nasopharyngeal microbiota of humans and one of the most important invasive pathogens. A genomic survey allowed establishing the occurrence of twenty-one phosphotransferase systems, seven carbohydrate uptake ABC transporters, one sodium∶solute symporter and a permease, underlining an exceptionally high capacity for uptake of carbohydrate substrates. Despite high genomic variability, combined phenotypic and genomic analysis of twenty sequenced strains did assign the substrate specificity only to two uptake systems. Systematic analysis of mutants for most carbohydrate transporters enabled us to assign a phenotype and substrate specificity to twenty-three transport systems. For five putative transporters for galactose, pentoses, ribonucleosides and sulphated glycans activity was inferred, but not experimentally confirmed and only one transport system remains with an unknown substrate and lack of any functional annotation. Using a metabolic approach, 80% of the thirty-two fermentable carbon substrates were assigned to the corresponding transporter. The complexity and robustness of sugar uptake is underlined by the finding that many transporters have multiple substrates, and many sugars are transported by more than one system. The present work permits to draw a functional map of the complete arsenal of carbohydrate utilisation proteins of pneumococci, allows re-annotation of genomic data and might serve as a reference for related species. These data provide tools for specific investigation of the roles of the different carbon substrates on pneumococcal physiology in the host during carriage and invasive infection. PMID:22428019

  5. 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.

  6. Computational Approaches to Analyze and Predict Small Molecule Transport and Distribution at Cellular and Subcellular Levels

    PubMed Central

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

    2013-01-01

    Quantitative structure-activity relationship (QSAR) studies and mechanistic mathematical modeling approaches have been independently employed for analyzing and predicting the transport and distribution of small molecule chemical agents in living organisms. Both of these computational approaches have been useful to interpret 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 analyze 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. PMID:24218242

  7. Asymptotic-preserving Lagrangian approach for modeling anisotropic transport in magnetized plasmas

    NASA Astrophysics Data System (ADS)

    Chacon, Luis; Del-Castillo-Negrete, Diego

    2012-03-01

    Modeling electron transport in magnetized plasmas is extremely challenging due to the extreme anisotropy between parallel (to the magnetic field) and perpendicular directions (the transport-coefficient ratio χ/χ˜10^10 in fusion plasmas). Recently, a novel Lagrangian Green's function method has been proposedfootnotetextD. del-Castillo-Negrete, L. Chac'on, PRL, 106, 195004 (2011); D. del-Castillo-Negrete, L. Chac'on, Phys. Plasmas, submitted (2011) to solve the local and non-local purely parallel transport equation in general 3D magnetic fields. The approach avoids numerical pollution, is inherently positivity-preserving, and is scalable algorithmically (i.e., work per degree-of-freedom is grid-independent). In this poster, we discuss the extension of the Lagrangian Green's function approach to include perpendicular transport terms and sources. We present an asymptotic-preserving numerical formulation, which ensures a consistent numerical discretization temporally and spatially for arbitrary χ/χ ratios. We will demonstrate the potential of the approach with various challenging configurations, including the case of transport across a magnetic island in cylindrical geometry.

  8. 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.

  9. A multiobjective optimization approach to the operation and investment of the national energy and transportation systems

    NASA Astrophysics Data System (ADS)

    Ibanez, Eduardo

    Most U.S. energy usage is for electricity production and vehicle transportation, two interdependent infrastructures. The strength and number of the interdependencies will increase rapidly as hybrid electric transportation systems, including plug-in hybrid electric vehicles and hybrid electric trains, become more prominent. There are several new energy supply technologies reaching maturity, accelerated by public concern over global warming. The National Energy and Transportation Planning Tool (NETPLAN) is the implementation of the long-term investment and operation model for the transportation and energy networks. An evolutionary approach with underlying fast linear optimization are in place to determine the solutions with the best investment portfolios in terms of cost, resiliency and sustainability, i.e., the solutions that form the Pareto front. The popular NSGA-II algorithm is used as the base for the multiobjective optimization and metrics are developed for to evaluate the energy and transportation portfolios. An integrating approach to resiliency is presented, allowing the evaluation of high-consequence events, like hurricanes or widespread blackouts. A scheme to parallelize the multiobjective solver is presented, along with a decomposition method for the cost minimization program. The modular and data-driven design of the software is presented. The modeling tool is applied in a numerical example to optimize the national investment in energy and transportation in the next 40 years.

  10. 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

  11. A triple-continuum approach for modeling flow and transport processes in fractured rock.

    PubMed

    Wu, Yu-Shu; Liu, H H; Bodvarsson, G S

    2004-09-01

    This paper presents a triple-continuum conceptual model for simulating flow and transport processes in fractured rock. Field data collected from the unsaturated zone of Yucca Mountain, a repository site of high-level nuclear waste, show a large number of small-scale fractures. The effect of these small fractures has not been considered in previous modeling investigations within the context of a continuum approach. A new triple-continuum model (consisting of matrix, small-fracture, and large-fracture continua) has been developed to investigate the effect of these small fractures. This paper derives the model formulation and discusses the basic triple-continuum behavior of flow and transport processes under different conditions, using both analytical solutions and numerical approaches. The simulation results from the site-scale model of the unsaturated zone of Yucca Mountain indicate that these small fractures may have an important effect on radionuclide transport within the mountain. PMID:15336793

  12. Springtime trans-pacific atmospheric transport from east Asia: a transit-time-pdf approach

    NASA Astrophysics Data System (ADS)

    Holzer, M.; McKendry, I.; Jaffe, D.

    2003-04-01

    The atmosphere is known to episodically transport aerosols, dust, and gaseous pollutants from industrialized south-east Asia, the Gobi desert, and Siberian wild fires to western North America. We give a novel characterization of the ever-present background transport from these regions and of the probability of transport ``events", that is, long-range transport of high concentrations with minimal dispersion. Our primary transport diagnostic is the transit-time probability density function (pdf), {\\cal G}, which is a tracer-independent measure of the flow that allows us to isolate the role of transport from other factors such as source variability and chemistry. The pdf approach, unlike typical back-trajectory analyses, captures transport due to all possible paths and accounts for both resolved advection and subgrid processes. We use a numerical model of the global atmosphere (MATCH), driven by NCEP reananlysis data, to establish the springtime statistics of daily averages of {\\cal G}. A suitably defined average of {\\cal G} quantifies the mass fraction of background air of a given transit time, or age, from the source regions. An analysis of the variability of {\\cal G} at fixed transit time allows us to identify transport events and to estimate their probability of occurrence. This is illustrated for transport events to the ``Pacific-North-West" (PNW) region of North America, defined as (43.8o-53.3o{N}) × (115.3o-124.7o{W}). Correlations between {\\cal G} averaged over the PNW and the winds at any point in the atmosphere identify large-scale anomaly structures of the flow that correspond to favorable transport to the PNW.

  13. 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.

  14. AN OPTIMAL ADAPTIVE LOCAL GRID REFINEMENT APPROACH TO MODELING CONTAMINANT TRANSPORT

    EPA Science Inventory

    A Lagrangian-Eulerian method with an optimal adaptive local grid refinement is used to model contaminant transport equations. pplication of this approach to two bench-mark problems indicates that it completely resolves difficulties of peak clipping, numerical diffusion, and spuri...

  15. 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.

  16. Variational approach to solving the spectral Boltzmann transport equation in transient thermal grating for thin films

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    The phonon Boltzmann transport equation (BTE) is widely utilized to study non-diffusive thermal transport. We find a solution of the BTE in the thin film transient thermal grating (TTG) experimental geometry by using a recently developed variational approach with a trial solution supplied by the Fourier heat conduction equation. We obtain an analytical expression for the thermal decay rate that shows excellent agreement with Monte Carlo simulations. We also obtain a closed form expression for the effective thermal conductivity that demonstrates the full material property and heat transfer geometry dependence, and recovers the limits of the one-dimensional TTG expression for very thick films and the Fuchs-Sondheimer expression for very large grating spacings. The results demonstrate the utility of the variational technique for analyzing non-diffusive phonon-mediated heat transport for nanostructures in multi-dimensional transport geometries, and will assist the probing of the mean free path distribution of materials via transient grating experiments.

  17. Main Modes of Heat Transport in Rayleigh-Bénard Convection Analyzed by a POD approach

    NASA Astrophysics Data System (ADS)

    Luelff, Johannes

    2015-11-01

    Rayleigh-Bénard convection, i.e. the buoyancy-induced movement of a fluid enclosed between two horizontal plates, is the definite setup to study thermal convection. We are interested in the heat transport of the main modes that are found in the convection cell. To this end, we apply the technique of proper orthogonal decomposition (POD) to obtain a set of empirical basis modes from simulation data. Usually the POD method results in modes that are optimal in describing the generalized energy, i.e. kinetic energy plus temperature variance. We extend the technique so that instead it gives the optimal modes with respect to the heat transport, measured in terms of the Nusselt number. We then demonstrate at numerical simulations of different RB setups and geometries that the proposed ansatz performs consistently better than the standard approach in describing the heat transport. Furthermore, the coherent structures that are connected to the biggest heat transport are examined.

  18. Chiral transport equation from the quantum Dirac Hamiltonian and the on-shell effective field theory

    NASA Astrophysics Data System (ADS)

    Manuel, Cristina; Torres-Rincon, Juan M.

    2014-10-01

    We derive the relativistic chiral transport equation for massless fermions and antifermions by performing a semiclassical Foldy-Wouthuysen diagonalization of the quantum Dirac Hamiltonian. The Berry connection naturally emerges in the diagonalization process to modify the classical equations of motion of a fermion in an electromagnetic field. We also see that the fermion and antifermion dispersion relations are corrected at first order in the Planck constant by the Berry curvature, as previously derived by Son and Yamamoto for the particular case of vanishing temperature. Our approach does not require knowledge of the state of the system, and thus it can also be applied at high temperature. We provide support for our result by an alternative computation using an effective field theory for fermions and antifermions: the on-shell effective field theory. In this formalism, the off-shell fermionic modes are integrated out to generate an effective Lagrangian for the quasi-on-shell fermions/antifermions. The dispersion relation at leading order exactly matches the result from the semiclassical diagonalization. From the transport equation, we explicitly show how the axial and gauge anomalies are not modified at finite temperature and density despite the incorporation of the new dispersion relation into the distribution function.

  19. The pentabox Master Integrals with the Simplified Differential Equations approach

    NASA Astrophysics Data System (ADS)

    Papadopoulos, Costas G.; Tommasini, Damiano; Wever, Christopher

    2016-04-01

    We present the calculation of massless two-loop Master Integrals relevant to five-point amplitudes with one off-shell external leg and derive the complete set of planar Master Integrals with five on-mass-shell legs, that contribute to many 2 → 3 amplitudes of interest at the LHC, as for instance three jet production, γ , V, H + 2 jets etc., based on the Simplified Differential Equations approach.

  20. 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.

  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. 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.

  3. Multiphase fluid flow and subsequent geochemical transport invariably saturated fractured rocks: 1. Approaches

    SciTech Connect

    Xu, Tianfu; Pruess, Karsten

    2000-08-08

    Reactive fluid flow and geochemical transport in unsaturated fractured rocks has received increasing attention for studies of contaminant transport, groundwater quality, waste disposal, acid mine drainage remediation, mineral deposits, sedimentary diagenesis, and fluid-rock interactions in hydrothermal systems. This paper presents methods for modeling geochemical systems that emphasize: (1) involvement of the gas phase in addition to liquid and solid phases in fluid flow, mass transport and chemical reactions, (2) treatment of physically and chemically heterogeneous and fractured rocks, (3) the effect of heat on fluid flow and reaction properties and processes, and (4) the kinetics of fluid-rock interaction. The physical and chemical process model is embodied in a system of partial differential equations for flow and transport, coupled to algebraic equations and ordinary differential equations for chemical interactions. For numerical solution, the continuum equations are discretized in space and time. Space discretization is based on a flexible integral finite difference approach that can use irregular gridding to model geologic structure; time is discretized fully implicitly as a first-order finite difference. Heterogeneous and fractured media are treated with a general multiple interacting continua method that includes double-porosity, dual-permeability, and multi-region models as special cases. A sequential iteration approach is used to treat the coupling between fluid flow and mass transport on the one hand, chemical reactions on the other. Applications of the methods developed here to variably saturated geochemical systems are presented in a companion paper (part 2, this issue).

  4. Topologically Massive Non-Abelian Theory:. Superfield Approach

    NASA Astrophysics Data System (ADS)

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

    We apply the well-established techniques of geometrical superfield approach to Becchi-Rouet-Stora-Tyutin (BRST) formalism in the context of four (3+1)-dimensional (4D) dynamical non-Abelian 2-form gauge theory by exploiting its inherent "scalar" and "vector" gauge symmetry transformations and derive the corresponding off-shell nilpotent and absolutely anticommuting BRST and anti-BRST symmetry transformations. Our approach leads to the derivation of three (anti-)BRST invariant Curci-Ferrari (CF)-type restrictions that are found to be responsible for the absolute anticommutativity of the BRST and anti-BRST symmetry transformations. We derive the coupled Lagrangian densities that respect the (anti-)BRST symmetry transformations corresponding to the "vector" gauge transformations. We also capture the (anti-)BRST invariance of the CF-type restrictions and coupled Lagrangian densities within the framework of our superfield approach. We obtain, furthermore, the off-shell nilpotent (anti-)BRST symmetry transformations when the (anti-)BRST symmetry transformations corresponding to the "scalar" and "vector" gauge symmetries are merged together. These off-shell nilpotent "merged" (anti-)BRST symmetry transformations are, however, found to be non-anticommuting in nature.

  5. 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

  6. A Semiconductor Device Noise Model: A Deterministic Approach to Semiconductor Device Current Noise for Semiclassical Transport

    SciTech Connect

    Noaman, B. A.; Korman, C. E.

    2009-04-23

    In this paper, we present a deterministic approach to calculate terminal current noise characteristics in semiconductor devices in the framework of semiclassical transport based on the spherical harmonics of the Boltzmann Transport Equation. The model relies on the solution of the Boltzmann equation in the frequency domain with special initial and boundary conditions. The terminal current fluctuation is directly related to scattering without the additional Langevin noise term added to the calculation. Simulation results are presented for the terminal current spectral density for a 1-D n{sup +}nn{sup +} structure due to elastic-acoustic and intervally scattering.

  7. The Heliospheric Transport of Protons and Anti-Protons a Stochastic Modelling Approach to Pamela Observations

    NASA Astrophysics Data System (ADS)

    Strauss, R. D.; Potgieter, M. S.; Boezio, M.; de Simone, N.; di Felice, V.; Kopp, A.; Büsching, I.

    2012-08-01

    Using a newly developed 5D comic ray modulation model, we study the modulation of galactic protons and anti-protons inside the heliosphere. This is done for different heliospheric magnetic field polarity cycles, which, in combination with drifts, lead to charge-sign dependent cosmic ray transport. Computed energy spectra and intensity ratios for the different cosmic ray populations are shown and discussed. Modelling results are extensively compared to recent observations made by the PAMELA space borne particle detector. Using a stochastic transport approach, we also show pseudo-particle traces, illustrating the principle behind charge-sign dependent modulation.

  8. 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

  9. 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

    2014-01-01

    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

  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. 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.

  12. Lateral subsurface stormflow and solute transport in a forested hillslope: A combined measurement and modeling approach

    NASA Astrophysics Data System (ADS)

    Laine-Kaulio, Hanne; Backnäs, Soile; Karvonen, Tuomo; Koivusalo, Harri; McDonnell, Jeffrey J.

    2014-10-01

    Preferential flow dominates water movement and solute transport in boreal forest hillslopes. However, only a few model applications to date have accounted for preferential flow at forest sites. Here we present a parallel and coupled simulation of flow and transport processes in the preferential flow domain and soil matrix of a forested hillslope section in Kangaslampi, Finland, using a new, three-dimensional, physically based dual-permeability model. Our aim is to simulate lateral subsurface stormflow and solute transport at the slope during a chloride tracer experiment, and to investigate the role of preferential flow in the tracer transport. The model was able to mimic the observed tracer transport during tracer irrigation, but overestimated the dilution velocity of the tracer plume in the highly conductive soil horizons near the soil surface after changing the irrigation to tracer-free water. According to the model, 140 times more chloride was transported downslope in the preferential flow domain than in the soil matrix during the tracer irrigation. The simulations showed, together with reference simulations with a traditional one pore domain model, that a two pore domain approach was required to simulate the observed flow and transport event. The event was characterized by the transmissivity feedback phenomenon and controlled by preferential flow mechanisms, in particular by lateral by-pass flow. According to our results, accounting for the slow-flow and fast-flow domains of soil, as well as the water and solute exchange between the domains, is essential for a successful simulation of flow and solute transport in preferential flow dominated hillslopes.

  13. A mixed finite element/finite volume approach for solving biodegradation transport in groundwater

    NASA Astrophysics Data System (ADS)

    Gallo, Claudio; Manzini, Gianmarco

    1998-03-01

    A numerical model for the simulation of flow and transport of organic compounds undergoing bacterial oxygen- and nitrate-based respiration is presented. General assumptions regarding microbial population, bacteria metabolism and effects of oxygen, nitrogen and nutrient concentration on organic substrate rate of consumption are briefly described. The numerical solution techniques for solving both the flow and the transport are presented. The saturated flow equation is discretized using a high-order mixed finite element scheme, which provides a highly accurate estimation of the velocity field. The transport equation for a sorbing porous medium is approximated using a finite volume scheme enclosing an upwind TVD shock-capturing technique for capturing concentration-unsteady steep fronts. The performance and capabilities of the present approach in a bio-remediation context are assessed by considering a set of test problems. The reliability of the numerical results concerning solution accuracy and the computational efficiency in terms of cost and memory requirements are also estimated.

  14. A PERFECT MATCH CONDITION FOR POINT-SET MATCHING PROBLEMS USING THE OPTIMAL MASS TRANSPORT APPROACH

    PubMed Central

    CHEN, PENGWEN; LIN, CHING-LONG; CHERN, I-LIANG

    2013-01-01

    We study the performance of optimal mass transport-based methods applied to point-set matching problems. The present study, which is based on the L2 mass transport cost, states that perfect matches always occur when the product of the point-set cardinality and the norm of the curl of the non-rigid deformation field does not exceed some constant. This analytic result is justified by a numerical study of matching two sets of pulmonary vascular tree branch points whose displacement is caused by the lung volume changes in the same human subject. The nearly perfect match performance verifies the effectiveness of this mass transport-based approach. PMID:23687536

  15. 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.

  16. A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions

    SciTech Connect

    Li, Bin; Miller, William H.; Wilner, Eli Y.; Thoss, Michael

    2014-03-14

    We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems [B. Li and W. H. Miller, J. Chem. Phys. 137, 154107 (2012)]. To properly describe vibrational quantum effects in the transport characteristics, we introduce a simple transformation rewriting the Hamiltonian in terms of occupation numbers and use a binning function to facilitate quantization. The approach provides accurate results for the nonequilibrium Holstein model for a range of bias voltages, vibrational frequencies, and temperatures. It also captures the hallmarks of vibrational quantum effects apparent in step-like structure in the current-voltage characteristics at low temperatures as well as the phenomenon of Franck-Condon blockade.

  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

    2014-11-01

    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

  19. Improved master equation approach to quantum transport: From Born to self-consistent Born approximation

    SciTech Connect

    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.

  20. A multiscale-compatible approach in modeling ionic transport in the electrolyte of (Lithium ion) batteries

    NASA Astrophysics Data System (ADS)

    Salvadori, A.; Grazioli, D.; Geers, M. G. D.; Danilov, D.; Notten, P. H. L.

    2015-10-01

    A novel approach in modeling the ionic transport in the electrolyte of Li-ion batteries is here presented. Diffusion and migration processes govern the transport of ions in solution in the absence of convection. In the porous electrode theory [1] it is common to model these processes via mass balance equations and electroneutrality. A parabolic set of equations arises, in terms of a non constant electric field which is afflicted by the paradox of being generated without electrical charges. To remedy this contradiction, Maxwell's equations have been used here, coupled to Faraday's law of electrochemical charge transfer. The set of continuity equations for mass and Maxwell's equations lead to a consistent model, with distinctive energy characteristics. Numerical examples show the robustness of the approach, which is well suited for multi-scale analyses [2,3].

  1. 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.

  2. 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.

  3. 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.

  4. Diagrammatic and asymptotic approaches to the origins of radiative transport theory: tutorial.

    PubMed

    Cazé, A; Schotland, John C

    2015-08-01

    The radiative transport equation (RTE) is used widely to describe the propagation of multiply scattered light in disordered media. In this tutorial, we present two derivations of the RTE for scalar wave fields. The first derivation is based on diagrammatic perturbation theory, while the second stems from an asymptotic multiscale expansion. Although the two approaches are quite distinct mathematically, some common ground can be found and is discussed. PMID:26367292

  5. A new approach to hazardous materials transportation risk analysis: decision modeling to identify critical variables.

    PubMed

    Clark, Renee M; Besterfield-Sacre, Mary E

    2009-03-01

    We take a novel approach to analyzing hazardous materials transportation risk in this research. Previous studies analyzed this risk from an operations research (OR) or quantitative risk assessment (QRA) perspective by minimizing or calculating risk along a transport route. Further, even though the majority of incidents occur when containers are unloaded, the research has not focused on transportation-related activities, including container loading and unloading. In this work, we developed a decision model of a hazardous materials release during unloading using actual data and an exploratory data modeling approach. Previous studies have had a theoretical perspective in terms of identifying and advancing the key variables related to this risk, and there has not been a focus on probability and statistics-based approaches for doing this. Our decision model empirically identifies the critical variables using an exploratory methodology for a large, highly categorical database involving latent class analysis (LCA), loglinear modeling, and Bayesian networking. Our model identified the most influential variables and countermeasures for two consequences of a hazmat incident, dollar loss and release quantity, and is one of the first models to do this. The most influential variables were found to be related to the failure of the container. In addition to analyzing hazmat risk, our methodology can be used to develop data-driven models for strategic decision making in other domains involving risk. PMID:19087232

  6. 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.

  7. 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

  8. Particle tracking approach for transport in three-dimensional discrete fracture networks

    DOE PAGESBeta

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

    2015-01-01

    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. 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

  9. Particle tracking approach for transport in three-dimensional discrete fracture networks

    SciTech Connect

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

    2015-01-01

    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. 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.

  10. Modeling nitrogen transport and transformation in aquifers using a particle-tracking approach

    NASA Astrophysics Data System (ADS)

    Cui, Zhengtao; Welty, Claire; Maxwell, Reed M.

    2014-09-01

    We have integrated multispecies biodegradation and geochemical reactions into an existing particle-tracking code to simulate reactive transport in three-dimensional variably saturated media, with a focus on nitrification and denitrification processes. This new numerical model includes reactive air-phase transport so that gases such as N2 and CO2 can be tracked. Although nitrogen biodegradation is the primary problem addressed here, the method presented is also applicable to other reactive multispecies transport problems. We verified the model by comparison with (1) analytical solutions for saturated one- and two-dimensional cases; (2) a finite element model for a one-dimensional unsaturated case; and (3) laboratory observations for a one-dimensional saturated case. Good agreement between the new code and the verification problems is demonstrated. The new model can simulate nitrogen transport and transformation in a heterogeneous permeability field where sharp concentration gradients are present. An example application to nitrogen species biodegradation and transport of a plume emanating from a leaking sewer in a heterogeneous, variably saturated aquifer is presented to illustrate this capability. This example is a novel application of coupling unsaturated/saturated zone transport with nitrogen species biodegradation. The code has the computational advantages of particle-tracking algorithms, including local and global mass conservation and minimal numerical dispersion. We also present new methods for improving particle code efficiency by implementing the concept of tracking surplus/deficit particles and particle recycling in order to control the growth of particle numbers. The new model retains the advantages of the particle tracking approach such as allowing relatively low spatial and temporal resolutions to be used, while incorporating the robustness of grid-based Monod kinetics to simulate biogeochemical reactions.

  11. Large scale atomistic approaches to thermal transport and phonon scattering in nanostructured materials

    NASA Astrophysics Data System (ADS)

    Savic, Ivana

    2012-02-01

    Decreasing the thermal conductivity of bulk materials by nanostructuring and dimensionality reduction, or by introducing some amount of disorder represents a promising strategy in the search for efficient thermoelectric materials [1]. For example, considerable improvements of the thermoelectric efficiency in nanowires with surface roughness [2], superlattices [3] and nanocomposites [4] have been attributed to a significantly reduced thermal conductivity. In order to accurately describe thermal transport processes in complex nanostructured materials and directly compare with experiments, the development of theoretical and computational approaches that can account for both anharmonic and disorder effects in large samples is highly desirable. We will first summarize the strengths and weaknesses of the standard atomistic approaches to thermal transport (molecular dynamics [5], Boltzmann transport equation [6] and Green's function approach [7]) . We will then focus on the methods based on the solution of the Boltzmann transport equation, that are computationally too demanding, at present, to treat large scale systems and thus to investigate realistic materials. We will present a Monte Carlo method [8] to solve the Boltzmann transport equation in the relaxation time approximation [9], that enables computation of the thermal conductivity of ordered and disordered systems with a number of atoms up to an order of magnitude larger than feasible with straightforward integration. We will present a comparison between exact and Monte Carlo Boltzmann transport results for small SiGe nanostructures and then use the Monte Carlo method to analyze the thermal properties of realistic SiGe nanostructured materials. This work is done in collaboration with Davide Donadio, Francois Gygi, and Giulia Galli from UC Davis.[4pt] [1] See e.g. A. J. Minnich, M. S. Dresselhaus, Z. F. Ren, and G. Chen, Energy Environ. Sci. 2, 466 (2009).[0pt] [2] A. I. Hochbaum et al, Nature 451, 163 (2008).[0pt

  12. 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.

  13. 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

  14. Simulation of geochemical localization using a multi-porosity reactive transport approach

    NASA Astrophysics Data System (ADS)

    Soler, Joaquim; Luquot, Linda; Martinez-Perez, Laura; Saaltink, Maarten; De Gaspari, Francesca; Carrera, Jesus

    2016-04-01

    Results of reactive transport laboratory experiments often suggest that pore scale heterogeneity induces localization of reactions (the generation of local micro environments favoring reactions that would not occur in a well-mixed Representative Elementary Volume, REV). Multi-Rate Mass Transfer (MRMT), which has been employed to reproduce hydrodynamic heterogeneity, may also be used to simulate geochemical localization. We extended the Water Mixing Approach (WMA) designed for single porosity media, to simulate chemical reactions caused by the mixing of mobile and immobile zones. The method is termed Multi-Rate Water Mixing (MRWM). The MRWM approach was employed to simulate laboratory experiments of CO2-rich brine transport through carbonate rich samples (Luquot et al. 2016). Chemical heterogeneity in space was reproduced by varying the mineral assemblages in immobile regions. This enabled us to reproduce the generally low pH environment while allowing for high pH local zones required for the localized precipitation of kaolinite, which has been observed in reality, but cannot be modeled with conventional reactive transport formulations. The resulting model is very rich, in that it can reproduce a broad range of pore scale processes in a Darcy scale model, and complex, in that the interaction between chemical kinetics and immobile zones physical parameters is non-trivial.

  15. 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,

  16. Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations

    NASA Astrophysics Data System (ADS)

    Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg

    2016-02-01

    We present a numerical method for multiphase chemical equilibrium calculations based on a Gibbs energy minimization approach. The method can accurately and efficiently determine the stable phase assemblage at equilibrium independently of the type of phases and species that constitute the chemical system. We have successfully applied our chemical equilibrium algorithm in reactive transport simulations to demonstrate its effective use in computationally intensive applications. We used FEniCS to solve the governing partial differential equations of mass transport in porous media using finite element methods in unstructured meshes. Our equilibrium calculations were benchmarked with GEMS3K, the numerical kernel of the geochemical package GEMS. This allowed us to compare our results with a well-established Gibbs energy minimization algorithm, as well as their performance on every mesh node, at every time step of the transport simulation. The benchmark shows that our novel chemical equilibrium algorithm is accurate, robust, and efficient for reactive transport applications, and it is an improvement over the Gibbs energy minimization algorithm used in GEMS3K. The proposed chemical equilibrium method has been implemented in Reaktoro, a unified framework for modeling chemically reactive systems, which is now used as an alternative numerical kernel of GEMS.

  17. A residence-time-based transport approach for the groundwater pathway in performance assessment models

    NASA Astrophysics Data System (ADS)

    Robinson, Bruce A.; Chu, Shaoping

    2013-03-01

    This paper presents the theoretical development and numerical implementation of a new modeling approach for representing the groundwater pathway in risk assessment or performance assessment model of a contaminant transport system. The model developed in the present study, called the Residence Time Distribution (RTD) Mixing Model (RTDMM), allows for an arbitrary distribution of fluid travel times to be represented, to capture the effects on the breakthrough curve of flow processes such as channelized flow and fast pathways and complex three-dimensional dispersion. Mathematical methods for constructing the model for a given RTD are derived directly from the theory of residence time distributions in flowing systems. A simple mixing model is presented, along with the basic equations required to enable an arbitrary RTD to be reproduced using the model. The practical advantages of the RTDMM include easy incorporation into a multi-realization probabilistic simulation; computational burden no more onerous than a one-dimensional model with the same number of grid cells; and straightforward implementation into available flow and transport modeling codes, enabling one to then utilize advanced transport features of that code. For example, in this study we incorporated diffusion into the stagnant fluid in the rock matrix away from the flowing fractures, using a generalized dual porosity model formulation. A suite of example calculations presented herein showed the utility of the RTDMM for the case of a radioactive decay chain, dual porosity transport and sorption.

  18. 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. PMID:23614496

  19. A lithofacies approach for modeling non-Fickian solute transport in a heterogeneous alluvial aquifer

    NASA Astrophysics Data System (ADS)

    Bianchi, Marco; Zheng, Chunmiao

    2016-01-01

    Stochastic realizations of lithofacies assemblage based on lithological data from a relatively small number of boreholes were used to simulate solute transport at the well-known Macrodispersion Experiment (MADE) site in Mississippi (USA). With sharp vertical contrasts and lateral connectivity explicitly accounted for in the corresponding hydraulic conductivity fields, experimental results from a large-scale tracer experiment were adequately reproduced with a relatively simple model based on advection and local dispersion. The geologically based model of physical heterogeneity shows that one well-interconnected lithofacies, with a significantly higher hydraulic conductivity and accounting for 12% of the total aquifer volume, may be responsible for the observed non-Fickian transport behavior indicated by the asymmetric shape of the plumes and by variations of the dispersion rate in both space and time. This analysis provides a lithological basis to the hypothesis that transport at MADE site is controlled by a network of high-conductivity sediments embedded in a less permeable matrix. It also explains the calibrated value of the ratio of mobile to total porosities used in previous modeling studies based on the dual-domain mass transfer approach. The results of this study underscore the importance of geologically plausible conceptualizations of the subsurface for making accurate predictions of the fate and transport of contaminants in highly heterogeneous aquifers. These conceptualizations may be developed through integration of raw geological data with expert knowledge, interpretation, and appropriate geostatistical methods.

  20. Reactive Transport Modeling Approach and its Initial Saltcake Dilution Chemical Modeling

    SciTech Connect

    Onishi, Yasuo

    2002-11-29

    During waste retrieval, chemical reactions, waste property changes, and waste movements/mixing interact. Thus,to be accurate, a waste process assessment methodology must account for these physical and chemical waste characteristics and mechanisms. This study provides suggestions for column tests and simulation modeling efforts to investigate saltwell pumping of Hanford Tank S-112. In addition, GMIN chemical modeling was initiated for S-112 saltcake dilution with 50% and 100% water as the first step of evaluating the feasibility of the reactive transport code ARIEL as a waste retrieval assessment methodology. The chemical modeling predicted the S-112 saltcake chemistry reasonably well. Although it is too early to conclude the usefulness of this reactive transport modeling approach, it is worth further evaluating its applicability to the waste retrieval process.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. Electronic and transport properties edge functionalized graphene nanoribbons-An ab initio approach

    SciTech Connect

    Chauhan, Satyendra Singh; Srivastava, Pankaj; Shrivastva, A. K.

    2014-04-24

    With the help of ab initio approach we have investigated the electronic and transport properties of edge functionalized zigzag graphene nanoribbons using density functional theory. We have studied the energetic stability and Fermi energy of ZGNRs. We have reported that the edge functionalization of zigzag graphene nanoribbons can break the degeneracy that can be used to promote the onset of a semiconducting to metal transition or a half metal to semiconducting state. The edge functionalization also promotes a metal-semimetal transition. It has also been observed that the transmission spectrum of the edge functionalized ZGNRs are different from those of pristine.

  8. 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.

  9. Transportation.

    ERIC Educational Resources Information Center

    Crank, Ron

    This instructional unit is one of 10 developed by students on various energy-related areas that deals specifically with transportation and energy use. Its objective is for the student to be able to discuss the implication of energy usage as it applies to the area of transportation. Some topics covered are efficiencies of various transportation…

  10. 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.

  11. Flight evaluation of two segment approaches for jet transport noise abatement

    NASA Technical Reports Server (NTRS)

    Rogers, R. A.; Wohl, B.; Gale, C. M.

    1973-01-01

    A 75 flight-hour operational evaluation was conducted with a representative four-engine fan-jet transport in a representative airport environment. The flight instrument systems were modified to automatically provide pilots with smooth and continuous pitch steering command information during two-segment approaches. Considering adverse weather, minimum ceiling and flight crew experience criteria, a transition initiation altitude of approximately 800 feet AFL would have broadest acceptance for initiating two-segment approach procedures in scheduled service. The profile defined by the system gave an upper glidepath of approximately 6 1/2 degrees. This was 1/2 degree greater than inserted into the area navigation system. The glidepath error is apparently due to an erroneous along-track, distance-to-altitude profile.

  12. 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

  13. Reactive Transport from Path3D: A Stream Tube Approach for Heterogeneous Aquifers

    NASA Astrophysics Data System (ADS)

    LI, L.

    2001-05-01

    Path3D (Zheng, 1991) is a popular computer program run in series with MODFLOW. Remediation engineers and hydrogeologist use it to track contaminant paths and to estimate solute travel time at heterogeneous sites. In order to predict fate and transport of multiple species at heterogeneous sites, numerical modeling packages, such as MT3D (Zheng,1990) or RT3D (Clement 1997) are often employed. These packages also are based on pre-processing with MODFLOW. However, for complex cases with aquifer heterogeneity, MT3D and RT3D often require very long computer run times. This paper addresses a new, stream-tube, approach that is both highly efficient and accurate to predict multi-species reactive transport at heterogeneous sites with steady flow. Our application of the stream tube approach is different from other stream tube approaches that apply the advection-dispersion-reaction equation in each stream tube (such as Ginn, 2000, Yabusaki, 1998, Charbeneau, 2000). In this work, the authors make use of properties of a linear system,working with decoupled reaction and sorption processes and mixing processes described by residence time distributions (RTDs). RTDs are abstracted from Path3D particle-tracking results and additional temporal and spatial dispersion (not caused by aquifer heterogeneity) is ignored. Reactions, including first order reactions and linear, reversible sorption, are applied through analytical transfer functions (called kinetic response functions). Convolution can then be applied to determine contaminant concentrations at monitoring points, using the RTDs determined from Path3D, kinetic transfer functions (expressed analytically), and expected trends of the source concentration. We are currently testing the approach and noting significant computational advantages for problems in three-dimensions, with first order reaction pathways and different retardation factors. We will demonstrate the method with several examples and compare the performance with MT3D and

  14. 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. PMID:25383522

  15. A new dust transport approach to quantify anthropogenic sources of atmospheric PM10 deposition on lakes

    NASA Astrophysics Data System (ADS)

    Weiss, Lee; Thé, Jesse; Gharabaghi, Bahram; Stainsby, Eleanor A.; Winter, Jennifer G.

    2014-10-01

    Windblown dust simulations are one of the most uncertain types of atmospheric transport models. This study presents an integrated PM10 emission, transport and deposition model which has been validated using monitored data. This model characterizes the atmospheric phosphorus load focusing on the major local sources within the Lake Simcoe airshed including paved and unpaved roads, agricultural sources, construction sites and aggregate mining sources. This new approach substantially reduces uncertainty by providing improved estimates of the friction velocities than those developed previously. Modeling improvements were also made by generating and validating an hourly windfield using detailed meteorology, topography and land use data for the study area. The model was used to estimate dust emissions generated in the airshed and to simulate the long-range transport and deposition of PM10 to Lake Simcoe. The deposition results from the model were verified against observed bulk collector phosphorus concentration data for both wet and dry deposition. Bulk collector data from stations situated outside the airshed in a remote, undeveloped area were also compared to determine the background contribution from distant sources.

  16. Combinatorial theory of the semiclassical evaluation of transport moments. I. Equivalence with the random matrix approach

    SciTech Connect

    Berkolaiko, G.; Kuipers, J.

    2013-11-15

    To study electronic transport through chaotic quantum dots, there are two main theoretical approaches. One involves substituting the quantum system with a random scattering matrix and performing appropriate ensemble averaging. The other treats the transport in the semiclassical approximation and studies correlations among sets of classical trajectories. There are established evaluation procedures within the semiclassical evaluation that, for several linear and nonlinear transport moments to which they were applied, have always resulted in the agreement with random matrix predictions. We prove that this agreement is universal: any semiclassical evaluation within the accepted procedures is equivalent to the evaluation within random matrix theory. The equivalence is shown by developing a combinatorial interpretation of the trajectory sets as ribbon graphs (maps) with certain properties and exhibiting systematic cancellations among their contributions. Remaining trajectory sets can be identified with primitive (palindromic) factorisations whose number gives the coefficients in the corresponding expansion of the moments of random matrices. The equivalence is proved for systems with and without time reversal symmetry.

  17. First-principles quantum transport with electron-vibration interactions: A maximally localized Wannier functions approach

    NASA Astrophysics Data System (ADS)

    Kim, Sejoong; Marzari, Nicola

    2013-06-01

    We present a first-principles approach for inelastic quantum transport calculations based on maximally localized Wannier functions. Electronic-structure properties are obtained from density-functional theory in a plane-wave basis, and electron-vibration coupling strengths and vibrational properties are determined with density-functional perturbation theory. Vibration-induced inelastic transport properties are calculated with nonequilibrium Green's function techniques; since these are based on a localized orbital representation we use maximally localized Wannier functions. Our formalism is applied first to investigate inelastic transport in a benzene molecular junction connected to monoatomic carbon chains. In this benchmark system the electron-vibration self-energy is calculated either in the self-consistent Born approximation or by lowest-order perturbation theory. It is observed that upward and downward conductance steps occur, which can be understood using multieigenchannel scattering theory and symmetry conditions. In a second example, where the monoatomic carbon chain electrode is replaced with a (3,3) carbon nanotube, we focus on the nonequilibrium vibration populations driven by the conducting electrons using a semiclassical rate equation and highlight and discuss in detail the appearance of vibrational cooling as a function of bias and the importance of matching the vibrational density of states of the conductor and the leads to minimize joule heating and breakdown.

  18. Toward Optimized Bioclogging and Biocementation Through Combining Advanced Geophysical Monitoring and Reactive Transport Modeling Approaches

    NASA Astrophysics Data System (ADS)

    Hubbard, C. G.; Hubbard, S. S.; Wu, Y.; Surasani, V.; Ajo Franklin, J. B.; Commer, M.; Dou, S.; Kwon, T.; Li, L.; Fouke, B. W.; Coates, J. D.

    2012-12-01

    Bioclogging and biocementation offer exciting opportunities for solutions to diverse problems ranging from soil stabilization to microbially enhanced hydrocarbon recovery. The effectiveness of bioclogging and biocementation strategies is governed by processes and properties ranging from microbial metabolism at the submicron scale, to changes in pore geometry at the pore scale, to geological heterogeneities at the field scale. Optimization of these strategies requires advances in mechanistic reactive transport modeling and geophysical monitoring methodologies. Our research focuses on (i) performing laboratory experiments to refine understanding of reaction networks and to quantify changes in hydrological properties (e.g. permeability), the evolution of biominerals and geophysical responses (focusing on seismic and electrical techniques); (ii) developing and using a reactive transport simulator capable of predicting the induced metabolic processes to numerically explore how to optimize the desired effect; and (iii) using loosely coupled reactive transport and geophysical simulators to explore detectability and resolvability of induced bioclogging and biocementation processes at the field scale using time-lapse geophysical methods. Here we present examples of our research focused on three different microbially-mediated methods to enhance hydrocarbon recovery through selective clogging of reservior thief zones, including: (a) biopolymer clogging through dextran production; (b) biomineral clogging through iron oxide precipitation; and (c) biomineral clogging through carbonate precipitation. We will compare the utility of these approaches for enhancing hydrocarbon recovery and will describe the utility of geophysical methods to remotely monitor associated field treatments.

  19. Designing optimal transportation networks: a knowledge-based computer-aided multicriteria approach

    SciTech Connect

    Tung, S.I.

    1986-01-01

    The dissertation investigates the applicability of using knowledge-based expert systems (KBES) approach to solve the single-mode (automobile), fixed-demand, discrete, multicriteria, equilibrium transportation-network-design problem. Previous works on this problem has found that mathematical programming method perform well on small networks with only one objective. Needed is a solution technique that can be used on large networks having multiple, conflicting criteria with different relative importance weights. The KBES approach developed in this dissertation represents a new way to solve network design problems. The development of an expert system involves three major tasks: knowledge acquisition, knowledge representation, and testing. For knowledge acquisition, a computer aided network design/evaluation model (UFOS) was developed to explore the design space. This study is limited to the problem of designing an optimal transportation network by adding and deleting capacity increments to/from any link in the network. Three weighted criteria were adopted for use in evaluating each design alternative: cost, average V/C ratio, and average travel time.

  20. 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

    2013-02-01

    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

  1. 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

  2. Towards a filtered density function approach for reactive transport in groundwater

    NASA Astrophysics Data System (ADS)

    Suciu, N.; Schüler, L.; Attinger, S.; Knabner, P.

    2016-04-01

    Evolution equations for probability density functions (PDFs) and filtered density functions (FDFs) of random species concentrations weighted by conserved scalars are formulated as Fokker-Planck equations describing stochastically equivalent processes in concentration-position spaces. This approach provides consistent numerical PDF/FDF solutions, given by the density in the concentration-position space of an ensemble of computational particles governed by the associated Itô equations. The solutions are obtained by a global random walk (GRW) algorithm, which is stable, free of numerical diffusion, and practically insensitive to the increase of the number of particles. The general FDF approach and the GRW numerical solution are illustrated for a reduced complexity problem consisting of the transport of a single scalar in groundwater. Randomness is induced by the stochastic parameterization of the hydraulic conductivity, characterized by short range correlations and small variance. The objective is to infer the statistics of the random concentration sampled at the plume center of mass, integrated over the transverse dimension of a two-dimensional spatial domain. The PDF/FDF problem can therefore be formulated in a two-dimensional domain as well, a spatial dimension and one in the concentration space. The upscaled drift and diffusion coefficients describing the PDF transport in the physical space are estimated on single-trajectories of diffusion in velocity fields with short-range correlations, owing to their self-averaging property. The mixing coefficients describing the PDF transport in concentration spaces are parameterized by the trend and the noise inferred from the statistical analysis of an ensemble of simulated concentration time series, as well as by classical mixing models. A Gaussian spatial filter applied to a Kraichnan velocity field generator is used to construct coarse-grained simulations (CGS) for FDF problems. The purposes of the CGS simulations are

  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. A Novel Approach to the Representation of Groundwater Flow and Transport with Epistemic Parameter Uncertainty

    NASA Astrophysics Data System (ADS)

    Ozbek, M. M.; Pinder, G. F.

    2006-12-01

    There is a growing need in hydrologic and environmental modeling and management to segregate uncertainty, whether it occurs in input parameters or in possible alternative models, into aleatory uncertainty (i.e., irreducible or stochastic) and epistemic uncertainty (i.e., reducible or due to lack of knowledge). While aleatory uncertainty has been known and used as the only source of uncertainty in the hydrologic community for a long time, the notion of epistemic uncertainty is relatively new and it can be due several reasons including 1) field and laboratory methods used in the measurement of parameters, 2) techniques used to interpolate measured values at selected locations, and more importantly, 3) subjective expert opinion interpreting data available to augment existing prior parametric information. A natural framework to quantify epistemic uncertainty has been fuzzy set theory. In this paper, we use the extension principle of fuzzy set theory to simulate groundwater flow and transport with fuzzy model parameters. Our novel implementation of the principle involves two major steps: 1) a tessellation of the parameter space that results in simplexes over which the state variable is approximated by means of trial functions, followed by 2) the optimization of degrees of membership for the state variable in each simplex where the trial functions and the fuzzy parameter membership functions are used as the constraints of the optimization algorithm. We compare our approach to other known approaches to using the extension principle to address groundwater flow and transport in the saturated zone, and highlight features of our approach that apply to any physically based model with fuzzy parameter input.

  6. 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

  7. 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

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

    PubMed

    Takahashi, Kou; Kong, Qiongman; Lin, Yuchen; 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; Lin, Chien-Liang Glenn

    2015-03-01

    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

  9. Transport phenomena in membranes for PEMFC applications: an analytical approach to the calculation of membrane resistance

    NASA Astrophysics Data System (ADS)

    De Francesco, M.; Arato, E.; Costa, P.

    The transport phenomena of mass and electrical charges play an important role in the proton exchange membrane utilised in fuel cell applications. The calculation of the membrane ion and water transfer is usually determined in two ways: one is a semi-empirical mode that can be experimentally set for any application and cannot be used in the prediction of the characteristics of new cells, and the other is a very complex mathematical approach that needs very long calculation times. In fact, the membrane mass transfer model can cause problems in the management of PEM stack models, by increasing calculation times and, above all, convergence problems. This work attempts to overcome this bottleneck using a novel approach. The validation of the new approach has been made by applying the model results to a PEM fuel cell model and by comparing the overall results to those in the literature. The resulting calculation time warranted the application of this model to a very complex stack simulation, resulting in good fit and reasonable computing times.

  10. 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.

  11. 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.

  12. Nonlinear electronic transport in nanoscopic devices: nonequilibrium Green's functions versus scattering approach

    NASA Astrophysics Data System (ADS)

    Hernández, Alexis R.; Lewenkopf, Caio H.

    2013-04-01

    We study the nonlinear elastic quantum electronic transport properties of nanoscopic devices using the nonequilibrium Green's function (NEGF) method. The Green's function method allows us to expand the I- V characteristics of a given device to arbitrary powers of the applied voltages. By doing so, we are able to relate the NEGF method to the scattering approach, showing their similarities and differences and calculate the conductance coefficients to arbitrary order. We demonstrate that the electronic current given by NEGF is gauge invariant to all orders in powers of V, and discuss the requirements for gauge invariance in the standard density functional theory (DFT) implementations in molecular electronics. We also analyze the symmetries of the nonlinear conductance coefficients with respect to a magnetic field inversion and the violation of the Onsager reciprocity relations with increasing source-drain bias.

  13. 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.

  14. Spatially-resolved investigation of transport in semiconductors: a photothermal deflection approach

    SciTech Connect

    Skumanich, A.; Fournier, D.; Boccara, A.C.; Amer, N.M.

    1985-06-01

    The unique ability of photothermal deflection spectroscopy to probe the local index of refraction of matter is exploited to investigate, in a spatially-resolved manner, thermal and electronic transport in semiconductors. An added advantage of this approach is that it is contactless; hence, it obviates the classical problems associated with electrodes and contacts. The basic premise of the technique is the use of the heat associated with non-radiative processes (e.g., recombination of carriers) to deflect a focussed laser probe beam (sub-gap energy) propagating through the semiconductor. The deflection of the probe beam is caused by a change in the refractive index of the sample which is in turn governed by carrier diffusion and recombination.

  15. 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

  16. Simulation of decelerating landing approaches on an externally blown flap STOL transport airplane

    NASA Technical Reports Server (NTRS)

    Grantham, W. D.; Nguyen, L. T.; Deal, P. L.

    1974-01-01

    A fixed-base simulator program was conducted to define the problems and methods for solution associated with performing decelerating landing approaches on 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. 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. The pilot's task was to capture the localizer and the glide slope and to maintain them as closely as possible while decelerating from an initial airspeed of 140 knots to a final airspeed of 75 knots, while under IFR conditions.

  17. 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.

  18. Mobilization and preferential transport of soil particles during infiltration: A core-scale modeling approach

    NASA Astrophysics Data System (ADS)

    Majdalani, Samer; Michel, Eric; di Pietro, Liliana; Angulo-Jaramillo, Rafael; Rousseau, Marine

    2007-05-01

    Understanding particle movement in soils is a major concern for both geotechnics and soil physics with regard to environmental protection and water resources management. This paper describes a model for mobilization and preferential transport of soil particles through structured soils. The approach combines a kinematic-dispersive wave model for preferential water flow with a convective-dispersive equation subject to a source/sink term for particle transport and mobilization. Particle detachment from macropore walls is considered during both the steady and transient water flow regimes. It is assumed to follow first-order kinetics with a varying detachment efficiency, which depends on the history of the detachment process. Estimates of model parameters are obtained by comparing simulations with experimental particle breakthrough curves obtained during infiltrations through undisturbed soil columns. Both water flux and particle concentrations are satisfactorily simulated by the model. Particle mobilization parameters favoring both attachment and detachment of particles are related to the incoming solution ionic strength by a Fermi-type function.

  19. Modeling PSA Problems - II: A Cell-to-Cell Transport Theory Approach

    SciTech Connect

    Labeau, P.E.; Izquierdo, J.M.

    2005-06-15

    In the first paper of this series, we presented an extension of the classical theory of dynamic reliability in which the actual occurrence of an event causing a change in the system dynamics is possibly delayed. The concept of stimulus activation, which triggers the realization of an event after a distributed time delay, was introduced. This gives a new understanding of competing events in the sequence delineation process.In the context of the level-2 probabilistic safety analysis (PSA), the information on stimulus activation mainly consists of regions of the process variables space where the activation can occur with a given probability. The evolution equations of the extended theory of probabilistic dynamics are therefore particularized to a transport process between discrete cells defined in phase-space on this basis. Doing so, an integrated and coherent approach to level-2 PSA problems is propounded. This amounts to including the stimulus concept and the associated stochastic delays discussed in the first paper in the frame of a cell-to-cell transport process.In addition, this discrete model provides a theoretical basis for the definition of appropriate numerical schemes for integrated level-2 PSA applications.

  20. 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.

  1. 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

  2. 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.

  3. Directed flow in heavy-ion collisions from the PHSD transport approach

    NASA Astrophysics Data System (ADS)

    Palmese, A.; Cassing, W.

    2016-01-01

    Recent STAR data for the directed flow of protons, antiprotons, charged pions and kaons obtained within the beam energy scan (BES) program are analyzed within the Parton- Hadron-String-Dynamics (PHSD/HSD) transport models. Both versions of the kinetic approach are used to clarify the role of partonic degrees of freedom. The PHSD results, simulating a partonic phase and its coexistence with a hadronic one, are roughly consistent with the STAR data. Generally, the semi-qualitative agreement between the measured data and model results supports the idea of a crossover type of quark-hadron transition which softens the nuclear EoS but shows no indication of a first-order phase transition. Furthermore, the directed flow of kaons and antikaons is evaluated in the PHSD approach from √sNN ≈ 5-12 GeV which shows a high sensitivity to the hadronic potentials in the FAIR/NICA energy regime √sNN ≤⃒ 8 GeV.

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

    NASA Astrophysics Data System (ADS)

    Kópházi, József; Lathouwers, Danny

    2015-09-01

    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.

  5. Realization of a Brownian engine to study transport phenomena: a semiclassical approach.

    PubMed

    Ghosh, Pradipta; Shit, Anindita; Chattopadhyay, Sudip; Chaudhuri, Jyotipratim Ray

    2010-06-01

    Brownian particles moving in a periodic potential with or without external load are often used as good theoretical models for the phenomenological studies of microscopic heat engines. The model that we propose here, assumes the particle to be moving in a nonequilibrium medium and we have obtained the exact expression for the stationary current density. We have restricted our consideration to the overdamped motion of the Brownian particle. We present here a self-consistent theory based on the system-reservoir coupling model, within a microscopic approach, of fluctuation induced transport in the semiclassical limit for a general system coupled with two heat baths kept at different temperatures. This essentially puts forth an approach to semiclassical state-dependent diffusion. We also explore the possibility of observing a current when the temperature of the two baths are different, and also envisage that our system may act as a Carnot engine even when the bath temperatures are the same. The condition for such a construction has been elucidated. PMID:20866383

  6. 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.

  7. 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.

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

    NASA Astrophysics Data System (ADS)

    Li, H.; Li, G.

    2014-08-01

    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/SiO2 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.

  9. Bi-functional nonlinearities in monodisperse ZnO nano-grains – Self-consistent transport and random lasing

    SciTech Connect

    Lubatsch, Andreas; Frank, Regine

    2014-08-20

    We report a quantum field theoretical description of light transport and random lasing. The Bethe-Salpeter equation is solved including maximally crossed diagrams and non-elastic scattering. This is the first theoretical framework that combines so called off-shell scattering and lasing in random media. We present results for the self-consistent scattering mean free path that varies over the width of the sample. Further we discuss the density dependent correlation length of self-consistent transport in disordered media composed of semi-conductor Mie scatterers.

  10. Thermodynamically constrained averaging theory approach for modeling flow and transport phenomena in porous medium systems: 5. Single-fluid-phase transport

    NASA Astrophysics Data System (ADS)

    Gray, William G.; Miller, Cass T.

    2009-05-01

    This work is the fifth in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach for modeling flow and transport phenomena in multiscale porous medium systems. The general TCAT framework and the mathematical foundation presented in previous works are used to develop models that describe species transport and single-fluid-phase flow through a porous medium system in varying physical regimes. Classical irreversible thermodynamics formulations for species in fluids, solids, and interfaces are developed. Two different approaches are presented, one that makes use of a momentum equation for each entity along with constitutive relations for species diffusion and dispersion, and a second approach that makes use of a momentum equation for each species in an entity. The alternative models are developed by relying upon different approaches to constrain an entropy inequality using mass, momentum, and energy conservation equations. The resultant constrained entropy inequality is simplified and used to guide the development of closed models. Specific instances of dilute and non-dilute systems are examined and compared to alternative formulation approaches.

  11. Collective flow in event-by-event partonic transport plus hydrodynamics hybrid approach

    NASA Astrophysics Data System (ADS)

    Bhalerao, Rajeev S.; Jaiswal, Amaresh; Pal, Subrata

    2015-07-01

    Complete evolution of the strongly interacting matter formed in ultrarelativistic heavy-ion collisions is studied within a coupled Boltzmann and relativistic viscous hydrodynamics approach. For the initial nonequilibrium evolution phase, we employ a multiphase transport (AMPT) model that explicitly includes event-by-event fluctuations in the number and positions of the participating nucleons as well as of the produced partons with subsequent parton transport. The ensuing near-equilibrium evolution of quark-gluon and hadronic matter is modeled within the (2 +1 ) -dimensional relativistic viscous hydrodynamics. We probe the role of parton dynamics in generating and maintaining the spatial anisotropy in the preequilibrium phase. Substantial spatial eccentricities ɛn are found to be generated in the event-by-event fluctuations in parton production from initial nucleon-nucleon collisions. For ultracentral heavy-ion collisions, the model is able to explain qualitatively the unexpected hierarchy of the harmonic flow coefficients vn(pT) (n =2 -6 ) observed at energies currently available at the CERN Large Hadron Collider (LHC). We find that the results for vn(pT) are rather insensitive to the variation (within a range) of the time of switchover from AMPT parton transport to hydrodynamic evolution. The usual Grad and the recently proposed Chapman-Enskog-like (nonequilibrium) single-particle distribution functions are found to give very similar results for vn(n =2 -4 ) . The model describes well both the BNL Relativistic Heavy Ion Collider and LHC data for vn(pT) at various centralities, with a constant shear viscosity to entropy density ratio of 0.08 and 0.12, respectively. The event-by-event distributions of v2 ,3 are in good agreement with the LHC data for midcentral collisions. The linear response relation vn=knɛn is found to be true for n =2 ,3 , except at large values of ɛn, where a larger value of kn is required, suggesting a small admixture of positive nonlinear

  12. 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.

  13. 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

  14. A systems approach to hemostasis: 2. Computational analysis of molecular transport in the thrombus microenvironment

    PubMed Central

    Tomaiuolo, Maurizio; Stalker, Timothy J.; Welsh, John D.; Diamond, Scott L.; Sinno, Talid

    2014-01-01

    Hemostatic thrombi formed after a penetrating injury have a heterogeneous architecture in which a core of highly activated, densely packed platelets is covered by a shell of less-activated, loosely packed platelets. In the first manuscript in this series, we show that regional differences in intrathrombus protein transport rates emerge early in the hemostatic response and are preserved as the thrombus develops. Here, we use a theoretical approach to investigate this process and its impact on agonist distribution. The results suggest that hindered diffusion, rather than convection, is the dominant mechanism responsible for molecular movement within the thrombus. The analysis also suggests that the thrombus core, as compared with the shell, provides an environment for retaining soluble agonists such as thrombin, affecting the extent of platelet activation by establishing agonist-specific concentration gradients radiating from the site of injury. This analysis accounts for the observed weaker activation and relative instability of platelets in the shell and predicts that a failure to form a tightly packed thrombus core will limit thrombin accumulation, a prediction tested by analysis of data from mice with a defect in clot retraction. PMID:24951425

  15. 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.

  16. Description of sorbing tracers transport in fractured media using the lattice model approach.

    PubMed

    Jiménez-Hornero, Francisco J; Giráldez, Juan V; Laguna, Ana

    2005-12-01

    The transport of contaminants in fractured media is a complex phenomenon with a great environmental impact. It has been described with several models, most of them based on complex partial differential equations, that are difficult to apply when equilibrium and nonequilibrium dynamics are considered in complex boundaries. With the aim of overcoming this limitation, a combination of two lattice Bathnagar, Gross and Krook (BGK) models, derived from the lattice Boltzmann model, is proposed in this paper. The fractured medium is assumed to be a single fissure in a porous rock matrix. The proposed approach permits us to deal with two processes with different length scales: advection-dispersion in the fissure and diffusion within the rock matrix. In addition to the mentioned phenomena, sorption reactions are also considered. The combined model has been tested using the experimental breakthrough curves obtained by Garnier et al. (Garnier, J.M., Crampon, N., Préaux, C., Porel, G., Vreulx, M., 1985. Traçage par 13C, 2H, I- et uranine dans la nappe de la craie sénonienne en écoulement radial convergent (Béthune, France). J. Hidrol. 78, 379-392.) giving acceptable results. A study on the influence of the lattice BGK models parameters controlling sorption and matrix diffusion on the breakthrough curves shape is included. PMID:16183166

  17. Non-Markovian Effects in the Lindblad Master Equation Approach to Electronic Transport

    NASA Astrophysics Data System (ADS)

    Ribeiro, P.; Vieira, V. R.

    Non-equilibrium processes in open quantum systems can be generically described within the framework of the Lindblad master equation i.e. without a memory kernel. This statement holds even for processes where information can flow-back from the environment to the system. This rather contra-intuitive fact lead to define a process as non Markovian if, during the time evolution of two different initial states of the system, their distinguishability increases, reflecting a back-flow of information from the environment to the system. However, for non Markovian dynamics, the set of conditions to ensure the positivity of the density matrix for all times is not known, making difficult the explicit construction of non Markovian Lindblad operators. Using the Keldysh non equilibrium Green's functions, we explicitly solve a generic quadratic model of electrons coupled at t = 0 to a set of wide-band baths characterized by temperature and chemical potential. We identify the equivalent Lindblad operators describing the evolution of the density matrix and show that the resulting dynamical process is generically non Markovian. We further discuss the cases in which Markovian dynamics is recovered. We apply our approach to a simple model for electronic transport thought a one dimensional wire coupled at t = 0 to wide-band metallic leads, and to a XY spin chain attached to two contacts.

  18. Modelling nitrogen transport and turnover at the hillslope scale - a process oriented approach

    NASA Astrophysics Data System (ADS)

    Klatt, S.; Haas, E.; Kiese, R.; Butterbach-Bahl, K.; Wlotzka, M.; Heuveline, V.; Kraft, P.; Breuer, L.

    2012-12-01

    Biogeochemical models used for simulating greenhouse gas (GHG) emissions are mainly designed for the plot scale. Lateral fluxes of nutrients such as nitrate, which may be important drivers for soil GHG emissions, are not or only scarcely considered and explored in such models. This is due to the complexity of microbiological, physic-chemical and plant processes which need to be investigated and simulated along one spatial dimension, the depth, so that the introduction of a second (a hillslope) or third (entire landscapes) spatial dimension is likely to introduce additional complexity which can hardly be handled by most models. However, plot scale models, validated with data obtained at plot scale studies, will systematically under- or overestimate key GHG production and consumption processes if lateral in- or efflux of nutrients to or from a given site is of significant importance. E.g. in laterally connected environments, such as riparian zones denitrification will be fuelled by lateral influx of nitrate from uphill positioned fertilized land. Thus, landscape approaches are needed to identify and realistically simulate GHG emissions. The poster will present a coupled modeling system consisting of the fully distributed hydrology model CMF coupled to the regional ecosystem model LandscapeDNDC. The model coupling was preformed using the OpenPALM coupler from Cerfacs, France which is based on parallel computer technology. The coupler synchronizes the two models with respect to simulation time and performs the exchange of data (water fluxes, nutrient concentrations, etc.) from and to the models. The resulting coupled hydrology-ecosystem model was applied to simulate carbon and nitrogen cycling along a three dimensional virtual hillslope. In the experiment the uphill section of the domain consists of intensive arable land (maize - wheat rotation with up to 300 kg N fertilization) whereas the lowland section and riparian zone consists of extensive grassland. The

  19. Transport properties of long straight nano-channels in electrolyte solutions: a systematic approach.

    PubMed

    Yaroshchuk, Andriy E

    2011-10-14

    The principle of local thermodynamic equilibrium is systematically employed for obtaining various transport properties of long straight nano-channels. The concept of virtual solution is used to describe situations of non-negligible overlap of diffuse parts of electric double layers (EDLs) in nano-channels. Generic expressions for a variety of transport properties of long straight nano-channels are obtained in terms of quasi-equilibrium distribution coefficients of ions and functionals of quasi-equilibrium distribution of electrostatic potential. Further, the Poisson-Boltzmann approach is used to specify these expressions for long straight slit-like nano-channels. In the approximation of non-overlapped diffuse parts of double electric layers in nano-channels, simple analytical expressions are obtained for the apparent electrophoretic mobilities of (trace) analytes of arbitrary charge as well as for the salt reflection coefficient (osmotic pressure), salt diffusion permeability and electro-viscosity (electrokinetic energy conversion). The approximate solutions are compared with the results of rigorous solution of non-linearized Poisson-Boltzmann equation, and the accuracy of approximation is shown to be typically excellent when the nano-channel half-height exceeds ca.3 Debye screening lengths. Due to non-negligible electrostatic adsorption of ions by nano-channels, the apparent electrophoretic mobilities of counter-ionic analytes in nano-channels are smaller than in micro-channels whereas those of co-ionic analytes are larger. This dependence on the charge is useful for the separation of analytes of close electrophoretic mobilities. The osmotic pressure is shown to be positive, negative or pass through maxima as a function of applied salt-concentration difference within a fairly narrow range of ratios of nano-channel height to the Debye screening length. The diffusion permeability of charged nano-channels to single salts is demonstrated (for the first time) to be

  20. 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

  1. 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.

  2. 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

  3. 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.

  4. Zinc uptake and radial transport in roots of Arabidopsis thaliana: a modelling approach to understand accumulation

    PubMed Central

    Claus, Juliane; Bohmann, Ansgar; Chavarría-Krauser, Andrés

    2013-01-01

    Background and Aims Zinc uptake in roots is believed to be mediated by ZIP (ZRT-, IRT-like proteins) transporters. Once inside the symplast, zinc is transported to the pericycle, where it exits by means of HMA (heavy metal ATPase) transporters. The combination of symplastic transport and spatial separation of influx and efflux produces a pattern in which zinc accumulates in the pericycle. Here, mathematical modelling was employed to study the importance of ZIP regulation, HMA abundance and symplastic transport in creation of the radial pattern of zinc in primary roots of Arabidopsis thaliana. Methods A comprehensive one-dimensional dynamic model of radial zinc transport in roots was developed and used to conduct simulations. The model accounts for the structure of the root consisting of symplast and apoplast and includes effects of water flow, diffusion and cross-membrane transport via transporters. It also incorporates the radial geometry and varying porosity of root tissues, as well as regulation of ZIP transporters. Key Results Steady-state patterns were calculated for various zinc concentrations in the medium, water influx and HMA abundance. The experimentally observed zinc gradient was reproduced very well. An increase of HMA or decrease in water influx led to loss of the gradient. The dynamic behaviour for a change in medium concentration and water influx was also simulated showing short adaptation times in the range of seconds to minutes. Slowing down regulation led to oscillations in expression levels, suggesting the need for rapid regulation and existence of buffering agents. Conclusions The model captures the experimental findings very well and confirms the hypothesis that low abundance of HMA4 produces a radial gradient in zinc concentration. Surprisingly, transpiration was found also to be a key parameter. The model suggests that ZIP regulation takes place on a comparable timescale as symplastic transport. PMID:23258417

  5. Electronic and spin transport properties of graphene nanoribbon mediated by metal adatoms: a study by the QUAMBO-NEGF approach

    SciTech Connect

    Zhang, G. P.; Liu, Xiaojie; Wang, C. Z.; Yao, Y. X.; Zhang, Jian; Ho, K. M.

    2013-02-12

    Structural and electronic properties, including deformation, magnetic moment, Mulliken population, bond order, as well as electronic transport properties, of zigzag graphene nanoribbon (ZGNR) with Co adatoms on hollow sites are investigated by quasi-atomic minimal basis orbits (QUAMBOs), a first-principles tight binding (TB) scheme based on density functional theory (DFT), combined with a non-equilibrium Green's function. For electronic transport, below the Fermi level the transmission is strongly suppressed and spin dependent as a result of magnetism by Co adatom adsorption, while above the Fermi level the transmission is slightly distorted and spin independent. Due to the local environment dependence of QUAMBOs–TB parameters, we construct QUAMBOs–TB parameters of ZGNR leads and ZGNR with Co adatoms on hollow center sites by a divide-and-conquer approach, and accurately reproduce the electronic transmission behavior. Our QUAMBO–NEGF method is a new and promising way of examining electronic transport in large-scale systems.

  6. Combinatorial theory of the semiclassical evaluation of transport moments II: Algorithmic approach for moment generating functions

    SciTech Connect

    Berkolaiko, G.; Kuipers, J.

    2013-12-15

    Electronic transport through chaotic quantum dots exhibits universal behaviour which can be understood through the semiclassical approximation. Within the approximation, calculation of transport moments reduces to codifying classical correlations between scattering trajectories. These can be represented as ribbon graphs and we develop an algorithmic combinatorial method to generate all such graphs with a given genus. This provides an expansion of the linear transport moments for systems both with and without time reversal symmetry. The computational implementation is then able to progress several orders further than previous semiclassical formulae as well as those derived from an asymptotic expansion of random matrix results. The patterns observed also suggest a general form for the higher orders.

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

    NASA Astrophysics Data System (ADS)

    Mehmani, Yashar; Oostrom, Mart; Balhoff, Matthew T.

    2014-03-01

    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 validated against micromodel experiments; excellent matches were obtained 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 3-D disordered granular media.

  8. 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.

  9. The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach

    NASA Astrophysics Data System (ADS)

    Souza, A. M.; Rungger, I.; Schwingenschlögl, U.; Sanvito, S.

    2015-11-01

    We present a combination of density functional theory and of both non-equilibrium Green's function formalism and a Master equation approach to accurately describe quantum transport in molecular junctions in the Coulomb blockade regime. We apply this effective first-principles approach to reproduce the experimental results of Perrin et al., [Nat. Nanotechnol., 2013, 8, 282] for the transport properties of a Au-(Zn)porphyrin-Au molecular junction. We demonstrate that energy level renormalization due to the image charge effect is crucial to the prediction of the current onset in the current-voltage, I-V, curves as a function of electrode separation. Furthermore, we show that for voltages beyond that setting the current onset, the slope of the I-V characteristics is determined by the interaction of the charge carriers with molecular vibrations. This corresponds to current-induced local heating, which may also lead to an effective reduced electronic coupling. Overall our scheme provides a fully ab initio description of quantum transport in the Coulomb blockade regime in the presence of electron-vibron coupling.We present a combination of density functional theory and of both non-equilibrium Green's function formalism and a Master equation approach to accurately describe quantum transport in molecular junctions in the Coulomb blockade regime. We apply this effective first-principles approach to reproduce the experimental results of Perrin et al., [Nat. Nanotechnol., 2013, 8, 282] for the transport properties of a Au-(Zn)porphyrin-Au molecular junction. We demonstrate that energy level renormalization due to the image charge effect is crucial to the prediction of the current onset in the current-voltage, I-V, curves as a function of electrode separation. Furthermore, we show that for voltages beyond that setting the current onset, the slope of the I-V characteristics is determined by the interaction of the charge carriers with molecular vibrations. This corresponds to

  10. Thermodynamically constrained averaging theory approach for modeling flow and transport phenomena in porous medium systems: 9. Transition region models

    NASA Astrophysics Data System (ADS)

    Jackson, A. S.; Rybak, I.; Helmig, R.; Gray, W. G.; Miller, C. T.

    2012-06-01

    This work is the ninth in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach for modeling flow and transport phenomena in multiscale porous medium systems. A fundamental approach is developed to model the transition region between a two-fluid-phase porous medium system and a single-fluid-phase system, including species transport. A general model formulation is developed along with an entropy inequality to guide the specification of closure relations. The general model formulation and entropy inequality are then used to specify a closed system. The transition region model developed in this work is a generalization and extension of coupling conditions commonly used in sharp interface models. The theoretical framework has multiple areas of potential applicability including terrestrial-atmospheric contact zones, surface water-sediment interface zones, and industrial drying processes.

  11. The Effect of Manning's Roughness Calibration on Flow and Sediment transport in Wetlands: Vegetation Drag Approach

    NASA Astrophysics Data System (ADS)

    Mahmoudi, M.; Nalesso, M.; Garcia, R. F.; Miralles-Wilhelm, F.

    2013-05-01

    cells in LILA. The constant flowing cell, M2, was selected as the study area. Flow was simulated using FLO2D, a FEMA approved program that simulates flow depth and velocity by using modified manning's roughness coefficient based on vegetation drag approach. The result of this simulation will provide an improved understanding of the effect of vegetation dynamics on hydrology and how different vegetation type and density may change flow velocity and therefore sediment transport over time.

  12. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    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.

  14. 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...

  15. Growing Mouse Oocytes Transiently Activate Folate Transport via Folate Receptors As They Approach Full Size.

    PubMed

    Meredith, Megan; MacNeil, Allison H; Trasler, Jacquetta M; Baltz, Jay M

    2016-06-01

    The folate cycle is central to cellular one-carbon metabolism, where folates are carriers of one-carbon units that are critical for synthesis of purines, thymidylate, and S-adenosylmethionine, the universal methyl donor that forms the cellular methyl pool. Although folates are well-known to be important for early embryo and fetal development, their role in oogenesis has not been clearly established. Here, folate transport proteins were detected in developing neonatal ovaries and growing oocytes by immunohistochemistry, Western blot, and immunofluorescence. The folate receptors FOLR1 and FOLR2 as well as reduced folate carrier 1 (RFC1, SLC19A1 protein) each appeared to be present in follicular cells including granulosa cells. In growing oocytes, however, only FOLR2 immunoreactivity appeared abundant. Localization of apparent FOLR2 immunofluorescence near the plasma membrane increased with oocyte growth and peaked in oocytes as they neared full size. We assessed folate transport using the model folate leucovorin (folinic acid). Unexpectedly, there was a transient burst of folate transport activity for a brief period during oocyte growth as they neared full size, while folate transport was otherwise undetectable for the rest of oogenesis and in fully grown germinal vesicle stage oocytes. This folate transport was inhibited by dynasore, an inhibitor of endocytosis, but insensitive to the anion transport inhibitor stilbene 4-acetamido-40-isothiocyanato-stilbene-2,20-disulfonic acid, consistent with folate receptor-mediated transport but not with RFC1-mediated transport. Thus, near the end of their growth, growing oocytes may take up folates that could support the final stage of oogenesis or be stored to provide the endogenous folates needed in early embryogenesis. PMID:27122634

  16. On the forward-backward-in-time approach for Monte Carlo solution of Parker's transport equation: One-dimensional case

    NASA Astrophysics Data System (ADS)

    Bobik, P.; Boschini, M. J.; Della Torre, S.; Gervasi, M.; Grandi, D.; La Vacca, G.; Pensotti, S.; Putis, M.; Rancoita, P. G.; Rozza, D.; Tacconi, M.; Zannoni, M.

    2016-05-01

    The cosmic rays propagation inside the heliosphere is well described by a transport equation introduced by Parker in 1965. To solve this equation, several approaches were followed in the past. Recently, a Monte Carlo approach became widely used in force of its advantages with respect to other numerical methods. In this approach the transport equation is associated to a fully equivalent set of stochastic differential equations (SDE). This set is used to describe the stochastic path of quasi-particle from a source, e.g., the interstellar space, to a specific target, e.g., a detector at Earth. We present a comparison of forward-in-time and backward-in-time methods to solve the cosmic rays transport equation in the heliosphere. The Parker equation and the related set of SDE in the several formulations are treated in this paper. For the sake of clarity, this work is focused on the one-dimensional solutions. Results were compared with an alternative numerical solution, namely, Crank-Nicolson method, specifically developed for the case under study. The methods presented are fully consistent each others for energy greater than 400 MeV. The comparison between stochastic integrations and Crank-Nicolson allows us to estimate the systematic uncertainties of Monte Carlo methods. The forward-in-time stochastic integrations method showed a systematic uncertainty <5%, while backward-in-time stochastic integrations method showed a systematic uncertainty <1% in the studied energy range.

  17. 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

  18. A combined observational and modeling approach to study modern dust transport from the Patagonia desert to East Antarctica

    NASA Astrophysics Data System (ADS)

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

    2010-09-01

    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 (~54° S) and from the shores of the Colihue Huapi lake in Central Patagonia (~46° 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 deposition over the ocean immediately downwind. Boundary layer dust was detected as far as 1800 km from the source and ~800 km north of the South Georgia Island over the central sub-Antarctic Atlantic Ocean. Although the analysis suggests the presence of dust at

  19. 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

  20. Transportation network policy modeling for congestion and pollution control: A variational inequality approach

    NASA Astrophysics Data System (ADS)

    Ramanujam, Padma

    1999-08-01

    Public concern over the state of the environment has grown over the past decade. All indications are that this concern will continue to influence policy making into the foreseeable future. Road transport is seen as the major contributor to environmental degradation. Transportation planners around the world face the question: cleaner air and/or faster commutes? While individual vehicles can be made more environmentally friendly, the sheer scale of growth in world-wide vehicle numbers is projected to cause significant environmental degradation in the longer run, and in the absence of newer and stricter polices. It is a challenge for governments to find policies that ensure congestion-free metropolitan areas while guaranteeing both critical environmental quality levels and a sufficient infrastructure access to all groups involved. The objective of the dissertation is to provide a mathematical framework to study transportation policy models for the purpose of controlling congestion and pollution. Towards this objective. a series of transportation policy models are developed to study travel behavior and to quantity the reductions in congestion and automobile emissions. The dissertation begins with a brief historical overview of some of the pioneering works in urban transportation economics and later presents the theoretical foundation for the transportation policy models developed. The dissertation introduces single modal and multimodal transportation network policy models that accomplish road pricing with the imposition of goal targets on link loads. as well as, integrated traffic equilibrium models with marketable mobile emission permits. Furthermore, equilibrium conditions are derived for each model, and both qualitative analysis and computational procedures are studied. Finally, the dissertation concludes with a comparative study of the relationship between regulatory pricing models and marketable emission permit transportation models and a discussion on key factors

  1. A new approach to epithelial isotonic fluid transport: an osmosensor feedback model.

    PubMed

    Hill, A E; Shachar-Hill, B

    2006-03-01

    A model for control of the transport rate and osmolarity of epithelial fluid (isotonic transport) is presented by using an analogy with the control of temperature and flow rate in a shower. The model brings recent findings and theory concerning the role of aquaporins in epithelia together with measurements of epithelial paracellular flow into a single scheme. It is not based upon osmotic equilibration across the epithelium but rather on the function of aquaporins as osmotic sensors that control the tonicity of the transported fluid by mixing cellular and paracellular flows, which may be regarded individually as hyper- and hypo-tonic fluids, to achieve near-isotonicity. The system is built on a simple feedback loop and the quasi-isotonic behavior is robust to the precise values of most parameters. Although the two flows are separate, the overall fluid transport rate is governed by the rate of salt pumping through the cell. The model explains many things: how cell pumping and paracellular flow can be coupled via control of the tight junctions; how osmolarity is controlled without depending upon the precise magnitude of membrane osmotic permeability; and why many epithelia have different aquaporins at the two membranes. The model reproduces all the salient features of epithelial fluid transport seen over many years but also indicates novel behavior that may provide a subject for future research and serve to distinguish it from other schemes such as simple osmotic equilibration. Isotonic transport is freed from constraints due to limited permeability of the membranes and the precise geometry of the system. It achieves near-isotonicity in epithelia in which partial water transport by co-transporters may be present, and shows apparent electro-osmotic effects. The model has been developed with a minimum of parameters, some of which require measurement, but the model is flexible enough for the basic idea to be extended both to complex systems of water and salt transport

  2. 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.

  3. Microbial Transport, Retention, and Inactivation in Streams: A Combined Experimental and Stochastic Modeling Approach.

    PubMed

    Drummond, Jennifer D; Davies-Colley, Robert J; Stott, Rebecca; Sukias, James P; Nagels, John W; Sharp, Alice; Packman, Aaron I

    2015-07-01

    Long-term survival of pathogenic microorganisms in streams enables long-distance disease transmission. In order to manage water-borne diseases more effectively we need to better predict how microbes behave in freshwater systems, particularly how they are transported downstream in rivers. Microbes continuously immobilize and resuspend during downstream transport owing to a variety of processes including gravitational settling, attachment to in-stream structures such as submerged macrophytes, and hyporheic exchange and filtration within underlying sediments. We developed a stochastic model to describe these microbial transport and retention processes in rivers that also accounts for microbial inactivation. We used the model to assess the transport, retention, and inactivation of Escherichia coli in a small stream and the underlying streambed sediments as measured from multitracer injection experiments. The results demonstrate that the combination of laboratory experiments on sediment cores, stream reach-scale tracer experiments, and multiscale stochastic modeling improves assessment of microbial transport in streams. This study (1) demonstrates new observations of microbial dynamics in streams with improved data quality than prior studies, (2) advances a stochastic modeling framework to include microbial inactivation processes that we observed to be important in these streams, and (3) synthesizes new and existing data to evaluate seasonal dynamics. PMID:26039244

  4. Evaluating woody material transport and deposition in alpine rivers and deducing risk mitigation approaches

    NASA Astrophysics Data System (ADS)

    Mazzorana, B.; Zischg, A.; Hübl, J.; Largiader, A.

    2009-04-01

    The impact levels of recent flashflood events in Switzerland and Western Austria in 2005 have significantly been accentuated by a considerable amount of transported woody material. As a consequence, either protection measures or bridges suffered considerable damage. Furthermore, cross-sectional obstructions due to woody material entrapment caused unexpected floodplain inundations resulting in severe damage to elements at risk. Until now, these woody material transport phenomena are neither sufficiently taken into account nor systematically considered, leading to a decrease in prediction accuracy during the procedure of hazard mapping. To close this gap, a procedure is proposed that (1) allows for the estimation of woody material recruitment from wood covered bankslopes and floodplains within the perimeter of the considered extreme flood event; and (2) permits the analysis of, the disposition for woody material entrainment and transport to selected critical configurations along the channel. The proposed procedure had been implemented into an ArcGIS-environment and provided indications for potential accentuation of flood hazards due to the transport of woody material. Results from a case study suggested the general applicability of the concept. The computational results can be used to devise effective risk mitigation strategies that comprise: (1) selective woody material volume reduction within the source areas, (2) thinning measures to increase the elasticity of the forest structure, (3) preventive interception of transported woody material and (4) redesign of the critical configurations.

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

    DOE PAGESBeta

    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 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. 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.

  7. STS-101 Atlantis aboard the crawler-transporter approaches LC-39A

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The Space Shuttle Atlantis, atop the mobile launcher platform and crawler-transporter, begins the climb up the ramp to Launch Pad 39A. The crawler-transporter carries its cargo at 1 mph, taking about five hours to cover the 3.4 miles from the Vehicle Assembly Building to the launch pad. A leveling system on the crawler- transporter keeps the top of the Space Shuttle vertical, especially negotiating the ramp leading to the launch pads and when it is raised and lowered on pedestals at the pad. Liftoff of Atlantis on mission STS-101 is scheduled for April 17 at 7:03 p.m. EDT. STS-101 is a logistics and resupply mission for the International Space Station, to restore full redundancy to the International Space Station power system in preparation for the arrival of the next pressurized module, the Russian-built Zvezda.

  8. A hybrid approach to the neutron transport K-eigenvalue problem using NDA-based algorithms

    SciTech Connect

    Willert, J. A.; Kelley, C. T.; Knoll, D. A.; Park, H.

    2013-07-01

    In order to provide more physically accurate solutions to the neutron transport equation it has become increasingly popular to use Monte Carlo simulation to model nuclear reactor dynamics. These Monte Carlo methods can be extremely expensive, so we turn to a class of methods known as hybrid methods, which combine known deterministic and stochastic techniques to solve the transport equation. In our work, we show that we can simulate the action of a transport sweep using a Monte Carlo simulation in order to solve the k-eigenvalue problem. We'll accelerate the solution using nonlinear diffusion acceleration (NDA) as in [1,2]. Our work extends the results in [1] to use Monte Carlo simulation as the high-order solver. (authors)

  9. Theoretical study of electronic transport through quasicrystalline nanotubes using mesh inflation approach

    NASA Astrophysics Data System (ADS)

    Ho, I.-Lin; Chou, Chung-Hsien; Chang, Yia-Chung

    2014-05-01

    This work introduces the mesh inflation method to construct (dodecagonal) quasicrystalline shell structures, and investigates the properties and functions of quantum transport through quasiperiodic components, e.g. the nanotube device. We model the quantum dynamics of a system described by a nearest neighbor tight-binding formulism, and apply the non-equilibrium Green’s function technique to calculate the electronic transport properties, in which the non-equilibrium (transmitted) electronic density is self-consistently determined by solving Poisson’s equation in capacitive network modeling. Numerical results find that the transmission spectrum of the quasicrystalline nanotube illustrates crossover characteristics from local order (like in periodic lattices) to global disorder (like in amorphous solids) with varying energy. Moreover, the electronic transport properties of nanoprobes through multiple atomic channels follow the rule of Landauer’s formula.

  10. Hybrid method of deterministic and probabilistic approaches for multigroup neutron transport problem

    SciTech Connect

    Lee, D.

    2012-07-01

    A hybrid method of deterministic and probabilistic methods is proposed to solve Boltzmann transport equation. The new method uses a deterministic method, Method of Characteristics (MOC), for the fast and thermal neutron energy ranges and a probabilistic method, Monte Carlo (MC), for the intermediate resonance energy range. The hybrid method, in case of continuous energy problem, will be able to take advantage of fast MOC calculation and accurate resonance self shielding treatment of MC method. As a proof of principle, this paper presents the hybrid methodology applied to a multigroup form of Boltzmann transport equation and confirms that the hybrid method can produce consistent results with MC and MOC methods. (authors)

  11. a Diffusive-Transport Approach to Determine the Electrical Conductance of AN Imperfect Multiwalled Carbon Nanotube

    NASA Astrophysics Data System (ADS)

    Grado-Caffaro, Maria Angeles; Grado-Caffaro, Martin

    2014-05-01

    In this paper, we propose a diffusive-transport-based analytical formulation to calculate the linear electrical conductance through a multiwalled carbon nanotube with defects. In fact, on the one hand, by considerations on diffusive transport and, on the other hand, using the Drude model, we find out that the conductance (at Fermi energy) of an imperfect multiwalled carbon nanotube is approximately equal to the fundamental conductance quantum multiplied by the number of layers (or shells) of the tube. Our result agrees with experimental data.

  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. The image charge effect and vibron-assisted processes in Coulomb blockade transport: a first principles approach.

    PubMed

    Souza, A M; Rungger, I; Schwingenschlögl, U; Sanvito, S

    2015-12-01

    We present a combination of density functional theory and of both non-equilibrium Green's function formalism and a Master equation approach to accurately describe quantum transport in molecular junctions in the Coulomb blockade regime. We apply this effective first-principles approach to reproduce the experimental results of Perrin et al., [Nat. Nanotechnol., 2013, 8, 282] for the transport properties of a Au-(Zn)porphyrin-Au molecular junction. We demonstrate that energy level renormalization due to the image charge effect is crucial to the prediction of the current onset in the current-voltage, I-V, curves as a function of electrode separation. Furthermore, we show that for voltages beyond that setting the current onset, the slope of the I-V characteristics is determined by the interaction of the charge carriers with molecular vibrations. This corresponds to current-induced local heating, which may also lead to an effective reduced electronic coupling. Overall our scheme provides a fully ab initio description of quantum transport in the Coulomb blockade regime in the presence of electron-vibron coupling. PMID:26525140

  14. 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.

  15. 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.

  16. Comparison of groundwater transit velocity estimates from flux theory and water table recession based approaches for solute transport.

    PubMed

    Rasiah, Velu; Armour, John David

    2013-02-15

    Reliable information in transit time (TT) derived from transit velocity (TV) for rain or irrigation water to mix with groundwater (GW) and the subsequent discharge to surface water bodies (SWB) is essential to address the issues associated with the transport of nutrients, particularly nitrate, from GW to SWB. The objectives of this study are to (i) compare the TV estimates obtained using flux theory-based (FT) approach with the water table rise/recession (WT) rate approach and (ii) explore the impact of the differences on solute transport from GW to SWB. The results from a study conducted during two rainy seasons in the northeast humid tropics of Queensland, Australia, showed the TV varied in space and over time and the variations depended on the estimation procedures. The lateral TV computed using the WT approach ranged from 1.00 × 10(-3) to 2.82 × 10(-1) m/d with a mean of 6.18 × 10(-2) m/d compared with 2.90 × 10(-4) to 5.15 × 10(-2) m/d for FT with a mean of 2.63 × 10(-2) m/d. The vertical TV ranged from 2.00 × 10(-3) to 6.02 × 10(-1) m/d with a mean of 1.28 × 10(-1) m/d for the WT compared with 6.76 × 10(-3)-1.78 m/d for the FT with a mean of 2.73 × 10(-1) m/d. These differences are attributed to the role played by different flow pathways. The bypass flow pathway played a role only in WT but not in FT. Approximately 86-95% of the variability in lateral solute transport was accounted for by the lateral TV and the total recession between two consecutive major rainfall events. A comparison of TT from FT and WT approaches indicated the laterally transported nitrate from the GW to the nearby creek was relatively 'new', implying the opportunity for accumulation and to undergo biochemical reactions in GW was low. The results indicated the WT approach produced more reliable TT estimates than FT in the presence of bypass flow pathways. PMID:23287381

  17. 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

  18. 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.

  19. 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.

  20. 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.

  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. 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.

  3. A head-up display format for transport aircraft approach and landing

    NASA Technical Reports Server (NTRS)

    Bray, R. S.; Scott, B. C.

    1981-01-01

    An electronic flight-guidance display format was designed for use in evaluations of the collimated head-up display concept applied to transport aircraft landing. In the design process of iterative evaluation and modification, some general principles, or guidelines, applicable to electronic flight displays were suggested. The usefulness of an indication of instantaneous inertial flightpath was clearly demonstrated. Evaluator pilot acceptance of the unfamiliar display concepts was very positive when careful attention was given to indoctrination and training.

  4. A head-up display format for application to transport aircraft approach and landing

    NASA Technical Reports Server (NTRS)

    Bray, R. S.

    1980-01-01

    A head up display (HUD) format used in simulator studies of the application of HUD to the landing of civil transport aircraft is described in detail. The display features an indication of the aircraft's instantaneous flightpath that constitutes the primary controlled element. Discrete ILS error and altitude signals are scaled and positioned to provide precise guidance modes when tracked with the flightpath symbol. Consideration is given to both the availability and nonavailability of inertial velocity information in the aircraft.

  5. Transport of sulfadiazine in soil columns — Experiments and modelling approaches

    NASA Astrophysics Data System (ADS)

    Wehrhan, Anne; Kasteel, Roy; Simunek, Jirka; Groeneweg, Joost; Vereecken, Harry

    2007-01-01

    Antibiotics, such as sulfadiazine, reach agricultural soils directly through manure of grazing livestock or indirectly through the spreading of manure or sewage sludge on the field. Knowledge about the fate of antibiotics in soils is crucial for assessing the environmental risk of these compounds, including possible transport to the groundwater. Transport of 14C-labelled sulfadiazine was investigated in disturbed soil columns at a constant flow rate of 0.26 cm h - 1 near saturation. Sulfadiazine was applied in different concentrations for either a short or a long pulse duration. Breakthrough curves of sulfadiazine and the non-reactive tracer chloride were measured. At the end of the leaching period the soil concentration profiles were determined. The peak maxima of the breakthrough curves were delayed by a factor of 2 to 5 compared to chloride and the decreasing limbs are characterized by an extended tailing. However, the maximum relative concentrations differed as well as the eluted mass fractions, ranging from 18 to 83% after 500 h of leaching. To identify relevant sorption processes, breakthrough curves of sulfadiazine were fitted with a convective-dispersive transport model, considering different sorption concepts with one, two and three sorption sites. Breakthrough curves can be fitted best with a three-site sorption model, which includes two reversible kinetic and one irreversible sorption site. However, the simulated soil concentration profiles did not match the observations for all of the used models. Despite this incomplete process description, the obtained results have implications for the transport behavior of sulfadiazine in the field. Its leaching may be enhanced if it is frequently applied at higher concentrations.

  6. 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.

  7. 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.

  8. Molecular Characterisation of Transport Mechanisms at the Developing Mouse Blood–CSF Interface: A Transcriptome Approach

    PubMed Central

    Liddelow, Shane A.; Temple, Sally; Møllgård, Kjeld; Gehwolf, Renate; Wagner, Andrea; Bauer, Hannelore; Bauer, Hans-Christian; Phoenix, Timothy N.; Dziegielewska, Katarzyna M.; Saunders, Norman R.

    2012-01-01

    Exchange mechanisms across the blood–cerebrospinal fluid (CSF) barrier in the choroid plexuses within the cerebral ventricles control access of molecules to the central nervous system, especially in early development when the brain is poorly vascularised. However, little is known about their molecular or developmental characteristics. We examined the transcriptome of lateral ventricular choroid plexus in embryonic day 15 (E15) and adult mice. Numerous genes identified in the adult were expressed at similar levels at E15, indicating substantial plexus maturity early in development. Some genes coding for key functions (intercellular/tight junctions, influx/efflux transporters) changed expression during development and their expression patterns are discussed in the context of available physiological/permeability results in the developing brain. Three genes: Secreted protein acidic and rich in cysteine (Sparc), Glycophorin A (Gypa) and C (Gypc), were identified as those whose gene products are candidates to target plasma proteins to choroid plexus cells. These were investigated using quantitative- and single-cell-PCR on plexus epithelial cells that were albumin- or total plasma protein-immunopositive. Results showed a significant degree of concordance between plasma protein/albumin immunoreactivity and expression of the putative transporters. Immunohistochemistry identified SPARC and GYPA in choroid plexus epithelial cells in the embryo with a subcellular distribution that was consistent with transport of albumin from blood to cerebrospinal fluid. In adult plexus this pattern of immunostaining was absent. We propose a model of the cellular mechanism in which SPARC and GYPA, together with identified vesicle-associated membrane proteins (VAMPs) may act as receptors/transporters in developmentally regulated transfer of plasma proteins at the blood–CSF interface. PMID:22457777

  9. 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.

  10. First-principles derivation of reactive transport modeling parameters for particle tracking and PDE approaches

    NASA Astrophysics Data System (ADS)

    Hansen, Scott K.; Scher, Harvey; Berkowitz, Brian

    2014-07-01

    Both Eulerian and Lagrangian reactive transport simulations in natural media require selection of a parameter that controls the “promiscuity” of the reacting particles. In Eulerian models, measurement of this parameter may be difficult because its value will generally differ between natural (diffusion-limited) systems and batch experiments, even though both are modeled by reaction terms of the same form. And in Lagrangian models, there previously has been no a priori way to compute this parameter. In both cases, then, selection is typically done by calibration, or ad hoc. This paper addresses the parameter selection problem for Fickian transport by deriving, from first principles and D (the diffusion constant) the reaction-rate-controlling parameters for particle tracking (PT) codes and for the diffusion-reaction equation (DRE). Using continuous time random walk analysis, exact reaction probabilities are derived for pairs of potentially reactive particles based on D and their probability of reaction provided that they collocate. Simultaneously, a second PT scheme directly employing collocation probabilities is derived. One-to-one correspondence between each of D, the reaction radius specified for a PT scheme, and the DRE decay constant are then developed. These results serve to ground reactive transport simulations in their underlying thermodynamics, and are confirmed by simulations.

  11. 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.

  12. 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.

  13. 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.

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

    NASA Astrophysics Data System (ADS)

    Song, Linze; Shi, Qiang

    2015-05-01

    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.

  15. 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.

  16. 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

  17. 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.

  18. Reactive transport in porous media: pore-network model approach compared to pore-scale model.

    PubMed

    Varloteaux, Clément; Vu, Minh Tan; Békri, Samir; Adler, Pierre M

    2013-02-01

    Accurate determination of three macroscopic parameters governing reactive transport in porous media, namely, the apparent solute velocity, the dispersion, and the apparent reaction rate, is of key importance for predicting solute migration through reservoir aquifers. Two methods are proposed to calculate these parameters as functions of the Péclet and the Péclet-Dahmköhler numbers. In the first method called the pore-scale model (PSM), the porous medium is discretized by the level set method; the Stokes and convection-diffusion equations with reaction at the wall are solved by a finite-difference scheme. In the second method, called the pore-network model (PNM), the void space of the porous medium is represented by an idealized geometry of pore bodies joined by pore throats; the flow field is computed by solving Kirchhoff's laws and transport calculations are performed in the asymptotic regime where the solute concentration undergoes an exponential evolution with time. Two synthetic geometries of porous media are addressed by using both numerical codes. The first geometry is constructed in order to validate the hypotheses implemented in PNM. PSM is also used for a better understanding of the various reaction patterns observed in the asymptotic regime. Despite the PNM approximations, a very good agreement between the models is obtained, which shows that PNM is an accurate description of reactive transport. PNM, which can address much larger pore volumes than PSM, is used to evaluate the influence of the concentration distribution on macroscopic properties of a large irregular network reconstructed from microtomography images. The role of the dimensionless numbers and of the location and size of the largest pore bodies is highlighted. PMID:23496613

  19. Study of Transport Properties in Armchair Graphyne Nanoribbons: A Density Functional Approach

    NASA Astrophysics Data System (ADS)

    Golafrooz Shahri, S.; Roknabadi, M. R.; Shahtahmasebi, N.; Behdani, M.

    2016-07-01

    In present paper, the non-equilibrium Green function (NEGF) method along with the density functional theory (DFT) are used to investigate the effect of width on transport and electronic properties of armchair graphyne (γ-graphyne) nanoribbons. The results show that all the studied nanoribbons are semiconductor and their band gaps decrease as the widths of nanoribbons increase, which will result in increasing current at a certain voltage. Also our results show the promising application of armchair graphyne nanoribbons in nano-electrical devices.

  20. Hybrid method of deterministic and probabilistic approaches for continuous energy neutron transport problem

    SciTech Connect

    Lee, H.; Lee, D.

    2013-07-01

    This paper presents a new hybrid method of continuous energy Monte Carlo (MC) and multi-group Method of Characteristics (MOC). For a continuous energy neutron transport analysis, the hybrid method employs a continuous energy MC for resonance energy range to treat the resonances accurately and a multi-group MOC for high and low energy ranges for efficiency. Numerical test with a model problem confirms that the hybrid method can produce consistent results with the reference continuous energy MC-only calculation as well as multi-group MOC-only calculation. (authors)

  1. 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.

  2. 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

  3. Deviations of the energy-momentum tensor from equilibrium in the initial state for hydrodynamics from transport approaches

    NASA Astrophysics Data System (ADS)

    Oliinychenko, D.; Petersen, H.

    2016-03-01

    Many hybrid models of heavy ion collisions construct the initial state for hydrodynamics from transport models. Hydrodynamics requires that the energy-momentum tensor Tμ ν and four-currents jμ do not deviate considerably from the equilibrium ideal-fluid form, but the ones constructed from transport do not necessarily possess this property. In this work we investigate the space-time picture of Tμ ν deviations from equilibrium in Au+Au collisions using a coarse-grained transport approach. The collision energy is varied in the range Elab=5 -160 A GeV . The sensitivity of Tμ ν deviations from equilibrium to collision centrality, and other parameters such as the switching criterion, the amount of statistics used to construct the initial state, and the smearing parameter σ are investigated. For low statistics, deviations of Tμ ν from equilibrium are large and dominated by the effect of finite sampling. For large statistics, the pressure anisotropy plays the most significant role, while the off-diagonal components of Tμ ν are small in a large volume during the whole evolution. For all considered energies and centralities the pressure anisotropy exhibits a similar feature: there is a narrow interval of time when it rapidly drops in a considerable volume. This allows us to introduce an "isotropization time," which is found to decrease with energy and slightly increase with centrality. The isotropization times are larger than times typically used for initializing hydrodynamics.

  4. Biogeochemical consequences of vertical and lateral transport of particulate organic matter in the southern North Sea: A multiproxy approach

    NASA Astrophysics Data System (ADS)

    Le Guitton, M.; Soetaert, K.; Damsté, J. S. Sinninghe; Middelburg, J. J.

    2015-11-01

    Vertical and lateral transports are of importance in continental shelf systems such as the North Sea and play a major role in the processing of organic matter. We investigated the biogeochemical consequences of these transports on particulate organic matter at the molecular level in the southern North Sea. We analysed suspended particulate matter and surface sediments for organic carbon, pigments and phospholipid derived fatty acids at 10 stations sampled in September 2011 along the particle transport route. The particulate organic matter in both suspended particulate matter and surface sediment was mainly from marine phytoplankton origin but of fresher quality in the water column. Particulate organic matter quality did not change from south to north in the suspended particulate matter, whereas it clearly decreased towards the north in the surface sediments, reflecting a decreased intensity of benthic-pelagic coupling. However, we also observed strong deposition of fresh organic matter in the northern station denoting that occasionally, intense benthic-pelagic coupling can occur. Finally, our study highlights the necessity to use a multiproxy approach covering multiple characteristic time scales, when investigating both suspended particulate matter and surface sediments.

  5. 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. PMID:25992902

  6. Flux-Averaged and Volume-Averaged Concentrations in Continuum Approaches to Solute Transport

    NASA Astrophysics Data System (ADS)

    Parker, J. C.; van Genuchten, M. Th.

    1984-07-01

    Transformations between volume-averaged pore fluid concentrations and flux-averaged concentrations are presented which show that both modes of concentration obey convective-dispersive transport equations of identical mathematical form for nonreactive solutes. The pertinent boundary conditions for the two modes, however, do not transform identically. Solutions of the convection-dispersion equation for a semi-infinite system during steady flow subject to a first-type inlet boundary condition is shown to yield flux concentrations, while solutions subject to a third-type boundary condition yield volume-averaged concentrations. These solutions may be applied with reasonable impunity to finite as well as semi-infinite media if back mixing at the exit is precluded. Implications of the distinction between resident and flux concentrations to laboratory and field studies of solute transport are discussed. It is suggested that perceived limitations of the convection-dispersion model for media with large variations in pore water velocities may in certain cases be attributable to a failure to distinguish between volume-averaged and flux-averaged concentrations.

  7. 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

  8. Modelling radionuclide transport in highly heterogeneous media and under variable hydrochemical conditions using a "dynamic Kd" approach

    NASA Astrophysics Data System (ADS)

    Trinchero, Paolo; Painter, Scott; Ebrahimi, Hedieh; Koskinen, Lasse; Molinero, jorge; Selroos, Jan-Olof

    2015-04-01

    Due to the high heterogeneity of fractured media and the ubiquitous lack of a complete site characterization, deterministic simulations of radionuclide transport in fractured rocks are notoriously highly uncertain. This uncertainty is usually addressed using stochastic methods; e.g. the connectivity structure of the medium is described using multiple realizations of Discrete Fracture Networks (DFN), which are then combined to particle tracking simulations. In these formulations, many complex geochemical retention processes are typically lumped into a single parameter: the distribution coefficient (Kd). This approach relies on an important assumption: the Kd values are constant in time. This hypothesis is critical under long-term geochemical changes as it is known that the distribution coefficient depends on the pH, redox conditions and major chemistry of the system. In this work, we present a novel methodology that combines the robustness of stochastic methods with an explicit description of water-solute-rock interaction processes. The reconciliation of all these is achieved by using a dynamic Kd approach. The hydrogeochemical evolution of the site of study is first computed using long-term and large-scale mechanistic reactive transport simulations. The simulated hydrochemical conditions are then used to generate a complete database of Kd values, which represent the hydrochemical conditions in every position and time of the model domain. Then, MARFA (Painter and Mancillas, 2009) is used to carry out Time Domain Random Walk (TDRW) simulations of radionuclide transport. In these simulations, Kd values are dynamically updated using the afore-mentioned database. The results (i.e. radionuclide breakthrough curves) bring the signature of the underlying changes in the background geochemistry.

  9. 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

  10. 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.

  11. NRG Approach to the Transport through a Finite Hubbard Chain Connected to Reservoirs

    NASA Astrophysics Data System (ADS)

    Oguri, Akira; Hewson, A. C.

    2005-03-01

    We study the low-energy properties of a Hubbard chain of finite size NC connected to two noninteracting leads using the numerical renormalization group (NRG) method. The results obtained for NC=3 and 4 show that the low-lying eigenstates have one-to-one correspondence with the free quasi-particle excitations of a local Fermi liquid. It enables us to determine the transport coefficients from the fixed-point Hamiltonian. At half-filling, the conductance for even NC decreases exponentially with increasing U showing a tendency towards the development of a Mott-Hubbard gap. In contrast, for odd NC, the Fermi-liquid nature of the low-energy states assures perfect transmission through the Kondo resonance. Our formulation to deduce the conductance from the fixed-point energy levels can be applied to various types of interacting systems.

  12. On a novel approach to anomalous transport in turbulent fluid and plasma

    NASA Astrophysics Data System (ADS)

    Datta, Dhurjati Prasad

    2013-11-01

    New nonclassical self similar intermediate asymptotics considered recently in the context of linear differential equations are shown to have interesting applications in offering a novel explanation of the origin of anomalous transport phenomena in turbulent flows in fluids and plasma devices. The intermediate asymptotics, in the late time or in the inviscid limit, conspire to produce smooth multifractal measures on a turbulent fluid medium leading naturally to generation of stretched Gaussian distributions for passive scalar tracer concentration from the turbulent, integral order, advection-diffusion equation. Such heavy tailed stretched Gaussian distributions can explain the observed anomalous scaling of the average and mean square displacements of tracer particles in a turbulent medium.We also point out that the present novel mechanism for generation of multifractal measure can actually be interpreted as a new class of instabilities leading to turbulence.

  13. Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains

    NASA Astrophysics Data System (ADS)

    Fang, X. W.; Zhang, G. P.; Yao, Y. X.; Wang, C. Z.; Ding, Z. J.; Ho, K. M.

    2011-10-01

    The conductance of single-atom carbon chain (SACC) between two zigzag graphene nanoribbons (GNR) is studied by an efficient scheme utilizing tight-binding (TB) parameters generated via quasi-atomic minimal basis set orbitals (QUAMBOs) and non-equilibrium Green's function (NEGF). Large systems (SACC contains more than 50 atoms) are investigated and the electronic transport properties are found to correlate with SACC's parity. The SACCs provide a stable off or on state in broad energy region (0.1-1 eV) around Fermi energy. The off state is not sensitive to the length of SACC while the corresponding energy region decreases with the increase of the width of GNR.

  14. 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.

  15. Master equation approach to charge injection and transport in organic insulators

    NASA Astrophysics Data System (ADS)

    Freire, José A.; Voss, Grasiela

    2005-03-01

    We develop a master equation model of a disordered organic insulator sandwiched between metallic electrodes by treating as rate processes both the injection and the internal transport. We show how the master equation model allows for the inclusion of crucial correlation effects in the charge transport, particularly of the Pauli exclusion principle and of space-charge effects, besides, being dependent on just the microscopic form of the transfer rate between the localized electronic states, it allows for the investigation of different microscopic scenarios in the organic, such as polaronic hopping, correlated energy levels, interaction with image charge, etc. The model allows for a separate analysis of the injection and the recombination currents. We find that the disorder, besides increasing the injection current, eliminates the possibility of observation of a Fowler-Nordheim injection current at zero temperature, and that it does not alter the Schottky barrier size of the zero-field thermionic injection current from the value based on the energy difference between the electrode Fermi level and the highest occupied molecular orbital/lowest unoccupied molecular orbital levels in the organic, but it makes the Arrhenius temperature dependence appear at larger temperatures. We investigate how the I(V ) characteristics of a device is affected by the presence of correlations in the site energy distribution and by the form of the internal hopping rate, specifically the Miller-Abrahams rate and the Marcus or small-polaron rate. We show that the disorder does not modify significantly the eβ√E field dependence of the net current due to the Schottky barrier lowering caused by the attraction between the charge and its image in the electrode.

  16. Master equation approach to charge injection and transport in organic insulators.

    PubMed

    Freire, José A; Voss, Grasiela

    2005-03-22

    We develop a master equation model of a disordered organic insulator sandwiched between metallic electrodes by treating as rate processes both the injection and the internal transport. We show how the master equation model allows for the inclusion of crucial correlation effects in the charge transport, particularly of the Pauli exclusion principle and of space-charge effects, besides, being dependent on just the microscopic form of the transfer rate between the localized electronic states, it allows for the investigation of different microscopic scenarios in the organic, such as polaronic hopping, correlated energy levels, interaction with image charge, etc. The model allows for a separate analysis of the injection and the recombination currents. We find that the disorder, besides increasing the injection current, eliminates the possibility of observation of a Fowler-Nordheim injection current at zero temperature, and that it does not alter the Schottky barrier size of the zero-field thermionic injection current from the value based on the energy difference between the electrode Fermi level and the highest occupied molecular orbital/lowest unoccupied molecular orbital levels in the organic, but it makes the Arrhenius temperature dependence appear at larger temperatures. We investigate how the I(V) characteristics of a device is affected by the presence of correlations in the site energy distribution and by the form of the internal hopping rate, specifically the Miller-Abrahams rate and the Marcus or small-polaron rate. We show that the disorder does not modify significantly the ebeta square root E field dependence of the net current due to the Schottky barrier lowering caused by the attraction between the charge and its image in the electrode. PMID:15836407

  17. A GIS-based approach for modeling the fate and transport of pollutants in Europe.

    PubMed

    Pistocchi, A

    2008-05-15

    This paper presents an approach to estimate chemical concentration in multiple environmental media (soil, water, and the atmosphere) with the sole use of basic geographical information system (GIS) operations and, particularly, map algebra. This allows solving mass balance equations in a different way from the traditional methods involving numerical or analytical solution of systems of equations, producing maps of chemical fluxes and concentrations only through combinations of maps of emissions and environmental removal or transfer rates. Benchmarking with the well-established EMEP MSCE-POP model shows that the method provides consistent results with this more detailed description. When available, experimental evidence equally supports the proposed method in relation to the more complex approaches. PMID:18546702

  18. A random field approach to the Lagrangian modeling of turbulent transport in vegetated canopies

    NASA Astrophysics Data System (ADS)

    Cesari, Rita; Paradisi, Paolo

    2015-09-01

    We present an application of a Lagrangian Stochastic Model (LSM) to turbulent dispersion over complex terrain, where turbulent coherent structures are known to play a crucial role. We investigate the case of a vegetated canopy by using semi-empirical parameterizations of turbulence profiles in the region inside and above a canopy layer. The LSM is based on a 4-dimensional Fokker-Planck (4DFP) equation, which extends the standard Thomson87 Lagrangian approach. The 4DFP model is derived by means of a Random Field description of the turbulent velocity field. The main advantage of this approach is that not only the experimental Eulerian one-point statistics, but also the Eulerian two-point two-time covariance structure can be included explicitly in the LSM. At variance with the standard Thomson87 approach, the 4DFP model allows to consider explicit parameterizations of the turbulent coherent structures as it explicitly includes both spatial and temporal correlation functions. In order to investigate the effect of the turbulent geometrical structure on a scalar concentration profile, we performed numerical simulations with two different covariance parameterizations, the first one isotropic and the second anisotropic. We show that the accumulation of scalars near the ground is due to the anisotropic geometrical properties of the turbulent boundary layer.

  19. A probabilistic approach to emissions from transportation sector in the coming decades

    NASA Astrophysics Data System (ADS)

    Yan, F.; Winijkul, E.; Bond, T. C.; Streets, D. G.

    2010-12-01

    Future emission estimates are necessary for understanding climate change, designing national and international strategies for air quality control and evaluating mitigation policies. Emission inventories are uncertain and future projections even more so. Most current emission projection models are deterministic; in other words, there is only single answer for each scenario. As a result, uncertainties have not been included in the estimation of climate forcing or other environmental effects, but it is important to quantify the uncertainty inherent in emission projections. We explore uncertainties of emission projections from transportation sector in the coming decades by sensitivity analysis and Monte Carlo simulations. These projections are based on a technology driven model: the Speciated Pollutants Emission Wizard (SPEW)-Trend, which responds to socioeconomic conditions in different economic and mitigation scenarios. The model contains detail about technology stock, including consumption growth rates, retirement rates, timing of emission standards, deterioration rates and transition rates from normal vehicles to vehicles with extremely high emission factors (termed “superemitters”). However, understanding of these parameters, as well as relationships with socioeconomic conditions, is uncertain. We project emissions from transportation sectors under four different IPCC scenarios (A1B, A2, B1, and B2). Due to the later implementation of advanced emission standards, Africa has the highest annual growth rate (1.2-3.1%) from 2010 to 2050. Superemitters begin producing more than 50% of global emissions around year 2020. We estimate uncertainties from the relationships between technological change and socioeconomic conditions and examine their impact on future emissions. Sensitivities to parameters governing retirement rates are highest, causing changes in global emissions from-26% to +55% on average from 2010 to 2050. We perform Monte Carlo simulations to examine

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. Transport-theory approach to ion-beam mixing and recoil implantation

    SciTech Connect

    Manning, I. )

    1990-12-01

    Ion bombardment of an amorphous target in slab geometry is considered, and ion-beam mixing and recoil implantation evaluated in the binary-collision approximation. A fundamental equation for target-atom redistribution during ion bombardment is formulated, which relates the redistribution flux to the source function for the creation of energetic atomic recoils and their range distribution; for the analysis, this equation plays the role of the Boltzmann transport equation. Expanding the target-atom density in a power series and truncating at the second term yields a flux equation and closed expressions for coefficients of recoil implantation and of ion-beam mixing. The flux equation plays a role analogous to that of Fick's law in diffusion. Lattice relaxations are taken into account by introducing flux transformations between laboratory and marker coordinate frames. The closed expressions for the coefficients are calculated and compared with experiment. The binary-collision contribution to ion-beam mixing turns out to be larger than heretofore thought. A new mechanism for ion-beam mixing emerges, which turns out to make a very significant contribution. There are even cases where the new mechanism far outweighs the cascade-mixing mechanism, thought to be the major contributor to binary-collision ion-beam mixing.

  7. J/{Psi} production in nuclear collisions: Theoretical approach to measuring the transport coefficient

    SciTech Connect

    Kopeliovich, B. Z.; Potashnikova, I. K.; Schmidt, Ivan

    2010-08-15

    The observed p{sub T} dependence of nuclear effects for J/{Psi} produced in heavy-ion collisions at Brookhaven's Relativistic Heavy-Ion Collider (RHIC) might look puzzling, because the nuclear suppression seems to fade at large p{sub T}. We explain this by the interplay of three mechanisms: (i) attenuation of J/{Psi} in the hot medium created in the nuclear collision; (ii) initial-state shadowing of charmed quarks and attenuation of a c-barc dipole propagating through the colliding nuclei; (iii) a strong Cronin effect for J/{Psi} caused by saturation of gluons in the colliding nuclei. All three effects are well under control and calculated in a parameter-free way, except for the transport coefficient q{sub 0} characterizing the medium. This is adjusted to the J/{Psi} data and found to be in good agreement with the pQCD prediction, but more than an order of magnitude smaller than what was extracted from jet quenching data within the energy loss scenario.

  8. Transport coefficient to trace anomaly in the clustering of color sources approach

    NASA Astrophysics Data System (ADS)

    Dias de Deus, J.; Hirsch, A. S.; Pajares, C.; Scharenberg, R. P.; Srivastava, B. K.

    2016-02-01

    From our previously obtained shear viscosity to entropy density ratio (η /s ) in the framework of clustering of color sources (the color string percolation model, CSPM), we calculate the jet quenching parameter q ̂ and trace anomaly Δ =(ɛ -3 p ) /T4 as a function of temperature. It is shown that the scaled q ̂/T3 is in agreement with the recent JET Collaboration estimates. The inverse of η /s is found to represent Δ . The results for Δ are in excellent agreement with lattice quantum chromodynamics (LQCD) simulations. From the trace anomaly and energy density ɛ , the equation of state is obtained as a function of temperature and compared with LQCD simulations. It is possible that there is a direct connection between the η /s and Δ . Thus the estimate of transport coefficient η /s provides q ̂ and Δ as a function of temperature. Both Δ and η /s describe the transition from a strongly coupled quark-gluon plasma (QGP) to a weakly coupled QGP.

  9. 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. PMID:26951104

  10. A New Cosmic Ray Transport Theory in Partially Turbulent Space Plasmas: Extending the Quasilinear Approach

    NASA Astrophysics Data System (ADS)

    Schlickeiser, R.

    2011-05-01

    A new transport theory of cosmic rays in magnetized space plasmas with axisymmetric incompressible magnetic turbulence is developed extending the quasilinear approximation to the particle orbit. Arbitrary gyrophase deviations from the unperturbed spiral orbits in the uniform magnetic field are allowed. For quasi-stationary and spatially homogeneous magnetic turbulence, we derive the small Larmor radius approximation gyrophase-averaged cosmic ray Fokker-Planck coefficients. The generalized Fokker-Planck coefficients correctly reduce to their known quasilinear values in the corresponding limit. New forms of the quasilinear Fokker-Planck coefficients in axisymmetric turbulence are derived which no longer involve infinite sums of products of Bessel functions, which facilitate their numerical computation for specified turbulence field correlation tensors. The Fokker-Planck coefficients for arbitrary phase orbits of the cosmic ray particles provide strict upper limits for the perpendicular and pitch-angle Fokker-Planck coefficients, which in turn yield strict upper and lower limits for the perpendicular and parallel spatial diffusion coefficients, respectively, describing the spatial diffusion of the isotropic part of the cosmic ray phase space density. For the associated mean free paths, we find for this general case that the product of the minimum parallel mean free path with the sum of the maximum perpendicular mean free paths equals R 2 L , where RL denotes the cosmic ray gyroradius.

  11. 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.

  12. 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.

  13. 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.

  14. Observables in ultrarelativistic heavy-ion collisions from two different transport approaches for the same initial conditions

    NASA Astrophysics Data System (ADS)

    Marty, R.; Bratkovskaya, E.; Cassing, W.; Aichelin, J.

    2015-07-01

    For nucleus-nucleus collisions at energies currently available at the BNL Relativistic Heavy Ion Collider (RHIC), we calculate observables in two different transport approaches, i.e., the n -body molecular dynamical model "relativistic quantum molecular dynamics for strongly interacting matter with phase transition or crossover" (RSP) and the two-body parton hadron string dynamics (PHSD), starting out from the same distribution in the initial energy density at the quark gluon plasma (QGP) formation time. The RSP dynamics is based on the Nambu-Jona-Lasinio (NJL) Lagrangian, whereas in PHSD the partons are described by the dynamical quasiparticle model (DQPM). Despite the very different description of the parton properties and their interactions and of the hadronization in both approaches, the final transverse momentum distributions of pions turn out to be quite similar, which is less visible for the strange mesons owing to the large NJL cross sections involved. Our findings can be attributed, in part, to a partial thermalization of the quark degrees of freedom in central Au +Au collisions for both approaches. The rapidity distribution of mesons shows a stronger sensitivity to the nature of the degrees of freedom involved and to their interaction strength in the QGP.

  15. 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. PMID:18403957

  16. A Systematic Approach for Developing Conceptual Models of Contaminant Transport at the Hanford Site

    NASA Astrophysics Data System (ADS)

    Murray, C. J.; Last, G. V.; Rohay, V. J.; Schelling, F. J.; Hildebrand, R. D.; Morse, J. G.

    2004-12-01

    The U.S. Department of Energy (DOE) faces many decisions regarding future remedial actions and waste disposal at the Hanford Site in southeast Washington State. To support these decisions, DOE recognized the need for a comprehensive and systematic approach to developing and documenting complete, consistent, and defensible conceptual models of contaminant release and migration. After reviewing existing conceptual model development methodologies that might be applicable to environmental assessments at the Hanford Site, DOE initiated efforts to adapt and implement the Features, Events, and Processes (FEP) methodology developed for use in performance assessments of nuclear waste disposal systems by NIREX. In adapting this methodology for use in the environmental assessments at Hanford, the international list of FEPs, compiled from nuclear waste disposal programs, was evaluated to develop a list of potentially relevant Hanford-specific FEPs. The international nuclear waste programs focus on deep geologic disposal while waste disposal at the Hanford Site involves burial in shallow unconsolidated geologic deposits. Thus, a graphical tool called the Process Relationship Diagram (PRD) was created to assist in identifying the international FEPs and additional factors that are relevant to Hanford, and to illustrate the relationships among these factors. The PRD is similar in form and function to the Master Directed Diagram used by NIREX to provide a visual and systematic structure for the FEP methodology. Adaptation of this approach is showing promise in facilitating the development of conceptual models and selection of relevant factors to be incorporated into environmental uncertainty assessments for the Hanford Site.

  17. Important issues facing model-based approaches to tunneling transport in molecular junctions

    NASA Astrophysics Data System (ADS)

    Bâldea, Ioan

    Extensive studies on thin films indicated a generic cubic current-voltage $I-V$ dependence as a salient feature of charge transport by tunneling. A quick glance at $I-V$ data for molecular junctions suggests a qualitatively similar behavior. This would render model-based studies almost irrelevant, since, whatever the model, its parameters can always be adjusted to fit symmetric (asymmetric) $I-V$ curves characterized by two (three) expansion coefficients. Here, we systematically examine popular models based on tunneling barrier or tight-binding pictures and demonstrate that, for a quantitative description at biases of interest ($V$ slightly higher than the transition voltage $V_t$), cubic expansions do not suffice. A detailed collection of analytical formulae as well as their conditions of applicability are presented to facilitate experimentalists colleagues to process and interpret their experimental data by obtained by measuring currents in molecular junctions. We discuss in detail the limits of applicability of the various models and emphasize that uncritically adjusting model parameters to experiment may be unjustified because the values deduced in this way may fall in ranges rendering a specific model invalid or incompatible to ab initio estimates. We exemplify with the benchmark case of oligophenylene-based junctions, for which results of ab initio quantum chemical calculations are also reported. As a specific issue, we address the impact of the spatial potential profile and show that it is not notable up to biases V somewhat larger than V_t, unlike at higher biases, where it may be responsible for negative differential resistance effects.

  18. Important issues facing model-based approaches to tunneling transport in molecular junctions.

    PubMed

    Bâldea, Ioan

    2015-08-21

    Extensive studies on thin films indicated a generic cubic current-voltage I-V dependence as a salient feature of charge transport by tunneling. A quick glance at I-V data for molecular junctions suggests a qualitatively similar behavior. This would render model-based studies almost irrelevant, since, whatever the model, its parameters can always be adjusted to fit symmetric (asymmetric) I-V curves characterized by two (three) expansion coefficients. Here, we systematically examine popular models based on tunneling barriers or tight-binding pictures and demonstrate that, for a quantitative description at biases of interest (V slightly higher than the transition voltage Vt), cubic expansions do not suffice. A detailed collection of analytical formulae as well as their conditions of applicability is presented to facilitate experimentalist colleagues to process and interpret their experimental data obtained by measuring currents in molecular junctions. We discuss in detail the limits of applicability of the various models and emphasize that uncritically adjusting the model parameters to experiment may be unjustified because the values deduced in this way may fall in ranges rendering a specific model invalid or incompatible to ab initio estimates. We exemplify with the benchmark case of oligophenylene-based junctions, for which the results of ab initio quantum chemical calculations are also reported. As a specific issue, we address the impact of the spatial potential profile and show that it is not notable up to biases V ≳ Vt, unlike at higher biases, where it may be responsible for negative differential resistance effects. PMID:26186139

  19. 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.

  20. 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.

  1. Fixed-base simulation study of decoupled controls during approach and landing of a STOL transport airplane

    NASA Technical Reports Server (NTRS)

    Miller, G. K., Jr.; Deal, P. L.; Champine, R. A.

    1974-01-01

    A fixed-base visual simulation study has been conducted to evaluate the use of decoupled controls as a means for reducing pilot workload during approach and landing of an externally blown jet-flap short take-off and landing (STOL) transport. All six rigid-body degrees of freedom were employed with the aerodynamic characteristics based on wind-tunnel data. The primary piloting task was to use a flight director to capture and maintain a two-segment glide slope, with a closed-circuit television display of a STOL airport used during simulations of the flare and landing. The decoupled longitudinal controls used constant prefilter and feedback gains to provide steady-state decoupling of flight-path angle, pitch angle, and forward velocity. The pilots were enthusiastic about the decoupled longitudinal controls but believed the decoupled concept offered no significant advantage over conventional controls in the lateral mode.

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

    PubMed

    Song, Linze; Shi, Qiang

    2015-05-01

    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. PMID:25956086

  3. A Reynolds-averaged turbulence modeling approach using three transport equations for the turbulent viscosity, kinetic energy, and dissipation rate

    NASA Astrophysics Data System (ADS)

    Yoshizawa, Akira; Abe, Hiroyuki; Matsuo, Yuichi; Fujiwara, Hitoshi; Mizobuchi, Yasuhiro

    2012-07-01

    A Reynolds-averaged approach to turbulent shear flows is sought with resort to a three-equation method. Its novelty is the introduction of a turbulent-viscosity transport equation through the transport equation for the Reynolds stress in addition to those for the turbulent kinetic energy and the dissipation rate. The latter two equations are used for evaluating the dimensional coefficients in the former. The aim of this model is to enhance the capability to cope with nonstationary and advection effects in various turbulent flows. The adaptability to them is confirmed through the application to homogeneous-shear and supersonic free-shear flows. In particular, the reasonable prediction is obtained in the latter where the growth rate of the shear layer is suppressed with the increase in the convective Mach number. The present model is also applied to a three-dimensional flow past a wing tip as an instance of complex aeronautical flows, and the excessive diffusion of the trailing vortices is shown to be suppressed. The turbulent-viscosity representation for the Reynolds stress is systematically supplemented with nonlinear effects of mean-velocity gradient tensors, and its adequacy is verified in a channel flow.

  4. 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.

  5. Efficient Modelling of Radionuclide Transport in Highly Heterogeneous Media and Under Variable Hydrochemical Conditions Using an "Intelligent Kd" Approach

    NASA Astrophysics Data System (ADS)

    Trinchero, P.; Painter, S. L.; Ebrahimi, H.; Koskinen, L.; Molinero, J.; Selroos, J. O.

    2014-12-01

    Due to the high heterogeneity of fractured media and the ubiquitous lack of a complete site characterization, deterministic simulations of radionuclide transport in fractured rocks are notoriously highly uncertain. This epistemic uncertainty is typically addressed using stochastic methods; e.g. the connectivity structure of the medium is described using one or multiple realizations of Discrete Fracture Networks (DFN), which are then combined to Time Domain Random Walk (TDRW) simulations (e.g. Painter and Cvetkovic, 2005). In these formulations, many complex geochemical retention processes are usually lumped into a single parameter: the distribution coefficient (Kd). Although this approach is mathematically robust and numerically efficient, it relies on an important assumption: the Kd value of each radionuclide is constant in time. This assumption could be critical under long-term geochemical changes as it is demonstrated that the distribution coefficient depends on the pH, redox conditions and major chemistry of the system. In this work, we present a novel methodology that combines the robustness of stochastic methods with a sound and explicit description of water-solute-rock interaction processes. The reconciliation of all these is achieved by using an "intelligent Kd" approach. The hydrogeochemical evolution of the site of study is first computed using long-term and large-scale mechanistic reactive transport simulations. The simulated hydrochemical conditions are then used to generate a complete database of Kd values, which represent the hydrochemical conditions in every position and time of the model domain. Then, TDRW simulations, based on one or multiple DFN realizations, are fed with these data and the results (e.g. radionuclide breakthrough curves) implicitly bring the signature of the underlying changes in the background geochemistry.

  6. Comparison of approaches for simulating reactive solute transport involving organic degradation reactions by multiple terminal electron acceptors

    USGS Publications Warehouse

    Curtis, G.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 (?? 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 ?? 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 ?? 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. ?? 2003. Published by Elsevier Science Ltd.

  7. Transport and deposition of carbon at catchment scale: stabilization mechanisms approach

    NASA Astrophysics Data System (ADS)

    Martínez-Mena, María; Almagro, María; Díaz-Pereira, Elvira; García-Franco, Noelia; Boix-Fayos, Carolina

    2016-04-01

    Terrestrial sedimentation buries large amounts of organic carbon (OC) annually, contributing to the terrestrial carbon sink. The temporal significance of this sink will strongly depend on the attributes of the depositional environment, but also on the characteristics of the OC reaching these sites and its stability upon deposition. The fate of the redistributed OC will ultimately depend on the mechanisms of its physical and chemical protection against decomposition, its turnover rates and the conditions under which the OC is stored in sedimentary settings. This framework is more complex in Mediterranean river basins where sediments are often redistributed under a range of environmental conditions in ephemeral, intermittent and perennial fluvial courses, sometimes within the same catchment. The OC stabilization mechanisms and their relations with aggregation at different transport and sedimentary deposits is under those conditions highly uncertain. The main objective of this work was to characterize the stabilization and mineralization of OC in sediments in transit (suspended load), at a range of depositional settings (alluvial bars, reservoir sediments) and soils from the source areas in a sub-catchment (111 km2) at the headwaters of the Segura catchment in South East Spain. In order to obtain a deeper knowledge on the predominant stabilization mechanism corresponding to each erosional phase, the following organic carbon fractionation method was carried out: Four aggregate size classes were distinguished by sieving (large and small macroaggregates, free microaggregates, and free silt plus clay fraction), and the microaggregates occluded within macroaggregates (SMm) were isolated. As a further step, an oxidation of the OC occluded in silt plus clay fraction and that of the free silt plus clay fraction was performed to estimate the oxidant resistant OC pool. Measured OC in these fractions can be related to three functional pools: active (free particulate organic

  8. 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

  9. Isochronal Ice Sheet Model: a New Approach to Tracer Transport by Explicitly Tracing Accumulation Layers

    NASA Astrophysics Data System (ADS)

    Born, A.; Stocker, T. F.

    2014-12-01

    The long, high-resolution and largely undisturbed depositional record of polar ice sheets is one of the greatest resources in paleoclimate research. The vertical profile of isotopic and other geochemical tracers provides a full history of depositional and dynamical variations. Numerical simulations of this archive could afford great advances both in the interpretation of these tracers as well as to help improve ice sheet models themselves, as show successful implementations in oceanography and atmospheric dynamics. However, due to the slow advection velocities, tracer modeling in ice sheets is particularly prone to numerical diffusion, thwarting efforts that employ straightforward solutions. Previous attemps to circumvent this issue follow conceptually and computationally extensive approaches that augment traditional Eulerian models of ice flow with a semi-Lagrangian tracer scheme (e.g. Clarke et al., QSR, 2005). Here, we propose a new vertical discretization for ice sheet models that eliminates numerical diffusion entirely. Vertical motion through the model mesh is avoided by mimicking the real-world ice flow as a thinning of underlying layers (see figure). A new layer is added to the surface at equidistant time intervals (isochronally). Therefore, each layer is uniquely identified with an age. Horizontal motion follows the shallow ice approximation using an implicit numerical scheme. Vertical diffusion of heat which is physically desirable is also solved implicitly. A simulation of a two-dimensional section through the Greenland ice sheet will be discussed.

  10. 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.

  11. 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

  12. An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations.

    PubMed

    Borges, A; Solomon, G C

    2016-05-21

    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. PMID:27208940

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. A GRADED APPROACH TO FLOW AND TRANSPORT MODELING TO SUPPORT DECOMMISSIONING ACTIVITIES AT THE SAVANNAH RIVER SITE, AIKEN SC

    SciTech Connect

    Dixon, K; Patricia Lee, P; Gregory Flach, G

    2007-06-07

    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. This approach incorporates both simple spreadsheet calculations and complex numerical modeling to evaluate the threat to human health posed by contaminants leaching from decommissioned concrete building slabs. Simple spread sheet calculations were used to produce generic slab concentration limits for a suite of radiological and non-radiological contaminants for a chemical separations area at Savannah River Site. 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. 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 reducing the conservatisms inherent in the spreadsheet calculations. Using the more sophisticated numerical model, it was possible to show that the remaining contaminant of concern would not likely impact groundwater above drinking water standards.

  18. 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.

  19. 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

  20. 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

  1. 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

    2016-08-01

    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. PMID:27497578

  2. 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.

  3. 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

    2014-11-01

    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. PMID:25299942

  4. Defective hCNT1 Transport Contributes to Gemcitabine Chemoresistance in Ovarian Cancer Subtypes: Overcoming Transport Defects Using a Nanoparticle Approach

    PubMed Central

    Hung, Sau Wai; Marrache, Sean; Cummins, Shannon; Bhutia, Yangzom D.; Mody, Hardik; Hooks, Shelley B.; Dhar, Shanta; Govindarajan, Rajgopal

    2015-01-01

    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 towards gemcitabine efficacy in histological subtypes of ovarian cancer. Radioactivity analysis identified hCNT1-mediated 3H-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. PMID:25600708

  5. Stochastic QM/MM Models for Proton Transport in Condensed Phase: An Empirical Valence Bond (EVB) Approach

    NASA Astrophysics Data System (ADS)

    Burykin, Anton; Braun-Sand, Sonja; Warshel, Arieh

    2005-03-01

    Proton transport (PT) plays a major role in biophysics in general and bioenergetics in particular. In view of the crucial role of biological PT processes it is important to gain a quantitative molecular understanding of the factors that control such processes. While modeling actual time-dependent PT in biological systems one has to deal with up to microsecond time scales which are not accessible to QM/MM methods. In order to overcome this problem we have developed a new type of hybrid quantum/classical approach which combines explicit QM (EVB) representation of the chain of donor and acceptors and implicit representation (via the effective coordinates) of the environment (the rest of the protein/water system). The dynamics of the whole QM/MM system is described by stochastic (langevin) equations. This model takes into account the correct physics of proton charge delocalization and the reorganization of solvent polar groups during the PT process. The description of QM/MM langevin dynamics method is given and several applications to biological systems (PT in Gramicidin A channel and Carbonic Anhydrase) are presented.

  6. 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.

  7. 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.

    PubMed

    Muñoz Rojo, Miguel; Martín, Jaime; Grauby, Stéphane; Borca-Tasciuc, Theodorian; Dilhaire, Stefan; Martin-Gonzalez, Marisol

    2015-03-01

    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. PMID:25668105

  8. 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

  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. 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

  11. 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.

  12. Initial-state fluctuations from midperipheral to ultracentral collisions in an event-by-event transport approach

    NASA Astrophysics Data System (ADS)

    Plumari, S.; Guardo, G. L.; Scardina, F.; Greco, V.

    2015-11-01

    We have developed a relativistic kinetic transport approach that incorporates initial-state fluctuations allowing to study the buildup of elliptic flow v2 and high-order harmonics v3, v4, and v5 for a fluid at fixed η /s (T ) . We study the effect of the η /s ratio and its T dependence on the buildup of the vn(pT) for two different beam energies: RHIC for Au+Au at √{s }=200 GeV and LHC for Pb+Pb at √{s }=2.76 TeV . We find that for the two different beam energies considered the suppression of the vn(pT) due to the viscosity of the medium have different contributions coming from the crossover or QGP phase. Our study reveals that only in ultracentral collisions (0 -0.2 %) the vn(pT) have a stronger sensitivity to the T dependence of η /s in the QGP phase and this sensitivity increases with the order of the harmonic n . Moreover, the study of the correlations between the initial spatial anisotropies ɛn and the final flow coefficients vn shows that at LHC energies there is more correlation than at RHIC energies. The degree of correlation increases from peripheral to central collisions, but only in ultracentral collisions at LHC, we find that the linear correlation coefficient C (n ,n )≈1 for n =2 ,3 ,4 , and 5. This suggests that the final correlations in the (vn,vm) space reflect the initial correlations in the (ɛn,ɛm) space.

  13. 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.

  14. 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.

  15. Approach to Integrate Global-Sun Models of Magnetic Flux Emergence and Transport for Space Weather Studies

    NASA Astrophysics Data System (ADS)

    Mansour, N. N.; Wray, A. A.; Mehrotra, P.; Arge, C. N.; Henney, C.; Manchester, W.; Godinez, H. C.; Koller, J.; Kosovichev, A. G.; Scherrer, P. H.; Zhao, J.; Stein, B.; Duvall, T.; Fan, Y.

    2013-12-01

    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

  16. 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

  17. 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

  18. Effective QCD and transport description of dilepton and photon production in heavy-ion collisions and elementary processes

    NASA Astrophysics Data System (ADS)

    Linnyk, O.; Bratkovskaya, E. L.; Cassing, W.

    2016-03-01

    In this review we address the dynamics of relativistic heavy-ion reactions and in particular the information obtained from electromagnetic probes that stem from the partonic and hadronic phases. The out-of-equilibrium description of strongly interacting relativistic fields is based on the theory of Kadanoff and Baym. For the modeling of the partonic phase we introduce an effective dynamical quasiparticle model (DQPM) for QCD in equilibrium. In the DQPM, the widths and masses of the dynamical quasiparticles are controlled by transport coefficients that can be compared to the corresponding quantities from lattice QCD. The resulting off-shell transport approach is denoted by Parton-Hadron-String Dynamics (PHSD) and includes covariant dynamical transition rates for hadronization and keeps track of the hadronic interactions in the final phase. It is shown that the PHSD captures the bulk dynamics of heavy-ion collisions from lower SPS to LHC energies and thus provides a solid basis for the evaluation of the electromagnetic emissivity, which is calculated on the basis of the same dynamical parton propagators that are employed for the dynamical evolution of the partonic system. The production of direct photons in elementary processes and heavy-ion reactions is discussed and the present status of the photon v2 "puzzle"-a large elliptic flow v2 of the direct photons experimentally observed in heavy-ion collisions-is addressed for nucleus-nucleus reactions at RHIC and LHC energies. The role of hadronic and partonic sources for the photon spectra and the flow coefficients v2 and v3 is considered as well as the possibility to subtract the QGP signal from the experimental observables. Furthermore, the production of e+e- or μ+μ- pairs in elementary processes and A + A reactions is addressed. The calculations within the PHSD from SIS to LHC energies show an increase of the low mass dilepton yield essentially due to the in-medium modification of the ρ-meson and at the lowest

  19. 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.

  20. 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. PMID:26857254

  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. 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.

  3. 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.

  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. AN APPROACH TO CALCULATING WIND-DRIVEN CURRENTS AND TRANSPORT OF SUBSTANCES IN UNSTRATIFIED WATER BODIES USING CURVILINEAR COORDINATES

    EPA Science Inventory

    A model of wind-driven currents and transport of substances in unstratified water bodies is presented. he model employs a coordinate system, consisting of curvilinear functions that are orthogonal in the horizontal plane and a coordinate of "normalized depth." The method of mergi...

  6. NATURAL GRADIENT EXPERIMENT ON SOLUTE TRANSPORT IN A SAND AQUIFER. 1. APPROACH AND OVERVIEW OF PLUME MOVEMENT

    EPA Science Inventory

    A large-scale field experiment on natural gradient transport of solutes in groundwater has been conducted at a site in Borden, Ontario. Well-defined initial conditions were achieved by the pulse injection of 12 cu m of a uniform solution containing known masses of two inorganic t...

  7. 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…

  8. High-resolution monitoring of bedload transport rates: a benchmark of two approaches (accelerometers and image processing)

    NASA Astrophysics Data System (ADS)

    Dhont, Blaise; Rousseau, Gauthier; Ancey, Christophe

    2016-04-01

    Experimental and field studies have shown how intermittent bedload transport can be at low flow rates. The development and validation of bedload-transport equations require high-resolution records over long periods of time. Two technologies are considered in the present investigation: image processing and accelerometers mounted on impact plates. The former has been successfully applied to monitor bedload transport in many flume experiments, and the latter has shown encouraging results at different field sites. Calibration is a major issue in both cases, and it is often difficult to assess the precision of the data collected. In our talk, we show how to calibrate and compare the performances of accelerometer and image-processing based techniques in laboratory conditions. The accelerometer is fixed on a perforated steel plate, which is placed vertically at the lower end of the flume. The vibrations due to the particles impacting the plate are recorded with a sampling frequency of 10 kHz. The proxy for bedload transport rate is chosen as the number of peaks above a fixed threshold of the recorded signal. Note that impact plates are usually set in flush with the bed, and to our knowledge, the vertical configuration presented here has not yet been documented. The experimental setup for image processing involves a video-camera that takes top-view images of the particles moving over a white board mounted at the outlet of the flume. Data storage poses an issue, which can be got round by pre-processing the images in real time. The bedload transport rate is estimated based on the number of particles that are identified on the images. The two technologies have the advantages of being cost-effective and demanding limited effort for implementation. They provide high-resolution bedload transport rates over several hours. Estimates of bedload discharge were found to be robust and accurate for low sediment transport rates. At higher rates, the sensors may saturate due the arrival

  9. Shuttle-cargo fusion molecules of transport peptides and the hD2/3 receptor antagonist fallypride: a feasible approach to preserve ligand-receptor binding?

    PubMed

    Wängler, Carmen; Chowdhury, Shafinaz; Höfner, Georg; Djurova, Petia; Purisima, Enrico O; Bartenstein, Peter; Wängler, Björn; Fricker, Gert; Wanner, Klaus T; Schirrmacher, Ralf

    2014-05-22

    To determine if the conjugation of a small receptor ligand to a peptidic carrier to potentially facilitate transport across the blood-brain barrier (BBB) by "molecular Trojan horse" transcytosis is feasible, we synthesized several transport peptide-fallypride fusion molecules as model systems and determined their binding affinities to the hD2 receptor. Although they were affected by conjugation, the binding affinities were found to be still in the nanomolar range (between 1.5 and 64.2 nM). In addition, homology modeling of the receptor and docking studies for the most potent compounds were performed, elucidating the binding modes of the fusion molecules and the structure elements contributing to the observed high receptor binding. Furthermore, no interaction between the hybrid compounds and P-gp, the main excretory transporter of the BBB, was found. From these results, it can be inferred that the approach to deliver small neuroreceptor ligands across the BBB by transport peptide carriers is feasible. PMID:24779610

  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. Thermodynamically constrained averaging theory approach for modeling flow and transport phenomena in porous medium systems: 3. Single-fluid-phase flow

    NASA Astrophysics Data System (ADS)

    Gray, William G.; Miller, Cass T.

    2006-11-01

    This work is the third in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach to modeling flow and transport phenomena in multiscale porous medium systems. Building upon the general TCAT framework and the mathematical foundation presented in previous works in this series, we demonstrate the TCAT approach for the case of single-fluid-phase flow. The formulated model is based upon conservation equations for mass, momentum, and energy and a general entropy inequality constraint, which is developed to guide model closure. A specific example of a closed model is derived under limiting assumptions using a linearization approach and these results are compared and contrasted with the traditional single-phase-flow model. Potential extensions to this work are discussed. Specific advancements in this work beyond previous averaging theory approaches to single-phase flow include use of macroscale thermodynamics that is averaged from the microscale, the use of derived equilibrium conditions to guide a flux-force pair approach to simplification, use of a general Lagrange multiplier approach to connect conservation equation constraints to the entropy inequality, and a focus on producing complete, closed models that are solvable.

  12. 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.

  13. Modelling transport in media with heterogeneous advection properties and mass transfer with a Continuous Time Random Walk approach

    NASA Astrophysics Data System (ADS)

    Comolli, Alessandro; Moussey, Charlie; Dentz, Marco

    2016-04-01

    Transport processes in groundwater systems are strongly affected by the presence of heterogeneity. The heterogeneity leads to non-Fickian features, that manifest themselves in the heavy-tailed breakthrough curves, as well as in the non-linear growth of the mean squared displacement and in the non-Gaussian plumes of solute particles. The causes of non-Fickian transport can be the heterogeneity in the flow fields and the processes of mass exchange between mobile and immobile phases, such as sorption/desorption reactions and diffusive mass transfer. Here, we present a Continuous Time Random Walk (CTRW) model that describes the transport of solutes in d-dimensional systems by taking into account both heterogeneous advection and mobile-immobile mass transfer. In order to account for these processes in the CTRW, the heterogeneities are mapped onto a distribution of transition times, which can be decomposed into advective transition times and trapping times, the latter being treated as a compound Poisson process. While advective transition times are related to the Eulerian flow velocities and, thus, to the conductivity distribution, trapping times depend on the sorption/desorption time scale, in case of reactive problems, or on the distribution of diffusion times in the immobile zones. Since the trapping time scale is typically much larger than the advective time scale, we observe the existence of two temporal regimes. The pre-asymptotic regime is defined by a characteristic time scale at which the properties of transport are fully determined by the heterogeneity of the advective field. On the other hand, in the asymptotic regime both the heterogeneity and the mass exchange processes play a role in conditioning the behaviour of transport. We consider different scenarios to discuss the relative importance of the advective heterogeneity and the mass transfer for the occurrence of non-Fickian transport. For each case we calculate analytically the scalings of the breakthrough

  14. 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

  15. Reactive solute transport in physically and chemically heterogeneous porous media with multimodal reactive mineral facies: the Lagrangian approach.

    PubMed

    Soltanian, Mohamad Reza; Ritzi, Robert W; Dai, Zhenxue; Huang, Chao Cheng

    2015-03-01

    Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact of changing the mean, variance, and integral scale of K and Kd on reactive solute dispersion. PMID:25532767

  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. 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. PMID:24767853

  19. Simulator study of the low-speed handling qualities of a supersonic cruise arrow-wing transport configuration during approach and landing

    NASA Technical Reports Server (NTRS)

    Grantham, W. D.; Nguyen, L. T.; Neubauer, M. J., Jr.; Smith, P. M.

    1976-01-01

    A fixed-based simulator study was conducted to determine the low-speed flight characteristics of an advanced supersonic cruise transport having an arrow wing, a horizontal tail, and four dry turbojets with variable geometry turbines. The primary piloting task was the approach and landing. The statically unstable (longitudinally) subject configuration has unacceptable low-speed handling qualities with no augmentation. Therefore, a hardened stability augmentation system is required to achieve acceptable handling qualities, should the normal operational stability and control augmentation system fail. In order to achieve satisfactory handling qualities, considerable augmentation was required.

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. 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. PMID:18035901

  5. Scaled precedence activity network (SPAN) approach to design of transportation systems: A methodology developed to introduce road facilities for lean vehicles

    SciTech Connect

    Pitstick, M.E.

    1991-01-01

    The problem of transition from some existing transportation system to an alternative system without large initial investment is addressed by identifying transition pathways. A graphical technique used combines engineering benefit/cost analysis and precedence diagrams from project management. The approach defines and evaluates potential adjustments to existing system and relationships between the adjustments. Logical strategies for introduction, which combine several different technologies, are identified from the SPAN diagrams. Strategies are selected by matching the level of deployment of technologies with the market level. Design of a system of parking and road facilities for single-passenger commuter vehicles is used as a case study. Various adjustments to existing facilities are identified, classified, and evaluated using the activity network approach. The concepts range from low-cost modifications appropriate for introduction of commuter vehicles into the market, to more expensive modifications suitable for larger numbers of such vehicles.

  6. 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.

  7. 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. PMID:22425877

  8. Non-local approach to kinetic effects on parallel transport in fluid models of the scrape-off layer

    NASA Astrophysics Data System (ADS)

    Omotani, J. T.; Dudson, B. D.

    2013-05-01

    Using a non-local model, fluid simulations can capture kinetic effects in the parallel electron heat-flux better than is possible using flux limiters in the usual diffusive models. Non-local and diffusive models are compared using a test case representative of an edge-localized mode crash in the JET scrape-off layer (SOL), simulated in one dimension. The non-local model shows substantially enhanced electron temperature gradients, which cannot be achieved using a flux limiter. The performance of the implementation, in the BOUT++ framework, is also analysed to demonstrate its suitability for application in three-dimensional simulations of turbulent transport in the SOL.

  9. 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.

  10. ac transport studies in polymers by resistor-network and transfer-matrix approaches: Application to polyaniline

    NASA Astrophysics Data System (ADS)

    Nagashima, H. N.; Onody, R. N.; Faria, R. M.

    1999-01-01

    A statistical model of resistor networks is proposed to describe a polymer structure and to simulate the real and imaginary components of its ac resistivity. It takes into account the polydispersiveness of the material as well as intrachain and interchain charge transport processes. By the application of a transfer-matrix technique, it reproduces ac resistivity measurements carried out with polyaniline films in different doping degrees and at different temperatures. Our results indicate that interchain processes govern the resistivity behavior in the low-frequency region while, for higher frequencies, intrachain mechanisms are dominant.

  11. 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.

  12. Electron Transport in Graphene Nanoribbon Field-Effect Transistor under Bias and Gate Voltages: Isochemical Potential Approach.

    PubMed

    Yun, Jeonghun; Lee, Geunsik; Kim, Kwang S

    2016-07-01

    Zigzag graphene nanoribbon (zGNR) of narrow width has a moderate energy gap in its antiferromagnetic ground state. So far, first-principles electron transport calculations have been performed using nonequilibrium Green function (NEGF) method combined with density functional theory (DFT). However, the commonly practiced bottom-gate control has not been studied computationally due to the need to simulate an electron reservoir that fixes the chemical potential of electrons in the zGNR and electrodes. Here, we present the isochemical potential scheme to describe the top/back-gate effect using external potential. Then, we examine the change in electronic state under the modulation of chemical potential and the subsequent electron transport phenomena in zGNR transistor under substantial top-/back-gate and bias voltages. The gate potential can activate the device states resulting in a boosted current. This gate-controlled current-boosting could be utilized for designing novel zGNR field effect transistors (FETs). PMID:27299184

  13. 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.

  14. Optimal pulsed pumping for aquifer remediation when contaminant transport is affected by rate-limited sorption: A calculus of variation approach. Master's thesis

    SciTech Connect

    Hartman, R.T.

    1994-09-01

    The remediation of groundwater contamination continues to persist as a social and economic problem due to increased governmental regulations and public health concerns. Additionally, the geochemistry of the aquifer and the contaminant transport within the aquifer complicates the remediation process to restore contaminated aquifers to conditions compatible with health-based standards. Currently, the preferred method for aquifer cleanup (pump-and-treat) has several limitations including, the persistence of sorbed chemicals on soil matrix and the long term operation and maintenance expense. The impetus of this research was to demonstrate that a calculus of variations approach could be applied to a pulsed pumping aquifer remediation problem where contaminant transport was affected by rate-limited sorption and generalized to answer several management objectives. The calculus of variation approach produced criteria for when the extraction pump is turned on and off. Additionally, the analytic solutions presented in this research may be useful in verifying numerical codes developed to solve optimal pulsed pumping aquifer remediation problems under conditions of rate-limited sorption.

  15. 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

  16. A Data-Model Comparison Approach to Understand the Source and Transport Mechanisms of keV-Energy Electrons at Saturn

    NASA Astrophysics Data System (ADS)

    Santos-Costa, D.; Clark, G. B.; Paranicas, C.; Menietti, J. D.; Tseng, W. L.

    2014-12-01

    We present results from a multi-instrument data analysis and interpretation of Cassini observations that is guided by a theoretical model. Through this analysis, we discuss the source and transport mechanisms of energetic electrons at Saturn and attempt to explain their spatial distributions inside 20 planetary radii (Rs). Using only data sets from equatorial orbits, a recent analysis of Cassini MIMI/LEMMS, CAPS, and MAG data sets by Clark et al. (2014; doi:10.1016/j.pss.2014.07.004) demonstrated how the angular profiles (i.e., 'pancakes', 'isotropic', 'field-aligned', and 'butterfly' PADs) of keV-energy electrons are statistically distributed at Saturn. Through a theoretical transport model, Clark et al. (2014) also demonstrated the role of Saturn's neutral gas torus with adiabatic transport to explain the spatial distribution of electrons. However, their data/model comparison was limited to a case study analysis and the data-model comparison results still do not provide the full picture in understanding the source of keV-energy electrons and their radial evolution. Here we continue to refine our understanding of the spatial distributions of keV-energy electrons at Saturn with the use of a data-model comparison approach. Using the full set of MIMI/LEMMS particle data available for the period mid-2004 to mid-2014, we carefully reexamine the role of neutrals and adiabatic transport for the region ~10 to 15 Rs. Using PAD profiles deduced from data sets at 15 Rs, we build different boundary conditions for our computational model and discuss how angular profiles radially evolve throughout the region ~10-15 Rs and which PADs at our boundary condition can explain the Cassini observations near ~10 Rs. We also present the results from our ongoing investigation of the dominant processes inside ~10 Rs and focus on the impact of chorus emission on the energetic electron distributions.

  17. Interstellar Pickup Ion Acceleration in the Turbulent Magnetic Field at the Solar Wind Termination Shock Using a Focused Transport Approach

    NASA Astrophysics Data System (ADS)

    Ye, Junye; le Roux, Jakobus A.; Arthur, Aaron D.

    2016-08-01

    We study the physics of locally born interstellar pickup proton acceleration at the nearly perpendicular solar wind termination shock (SWTS) in the presence of a random magnetic field spiral angle using a focused transport model. Guided by Voyager 2 observations, the spiral angle is modeled with a q-Gaussian distribution. The spiral angle fluctuations, which are used to generate the perpendicular diffusion of pickup protons across the SWTS, play a key role in enabling efficient injection and rapid diffusive shock acceleration (DSA) when these particles follow field lines. Our simulations suggest that variation of both the shape (q-value) and the standard deviation (σ-value) of the q-Gaussian distribution significantly affect the injection speed, pitch-angle anisotropy, radial distribution, and the efficiency of the DSA of pickup protons at the SWTS. For example, increasing q and especially reducing σ enhances the DSA rate.

  18. A FOCUSED TRANSPORT APPROACH TO THE TIME-DEPENDENT SHOCK ACCELERATION OF SOLAR ENERGETIC PARTICLES AT A FAST TRAVELING SHOCK

    SciTech Connect

    Le Roux, J. A.; Webb, G. M.

    2012-02-10

    Some of the most sophisticated models for solar energetic particle (SEP) acceleration at coronal mass ejection driven shocks are based on standard diffusive shock acceleration theory. However, this theory, which only applies when SEP pitch-angle anisotropies are small, might have difficulty in describing first-order Fermi acceleration or the shock pre-heating and injection of SEPs into first-order Fermi acceleration accurately at lower SEP speeds where SEP pitch-angle anisotropies upstream near the shock can be large. To avoid this problem, we use a time-dependent focused transport model to reinvestigate first-order Fermi acceleration at planar parallel and quasi-parallel spherical traveling shocks between the Sun and Earth with high shock speeds associated with rare extreme gradual SEP events. The focused transport model is also used to investigate and compare three different shock pre-heating mechanisms associated with different aspects of the nonuniform cross-shock solar wind flow, namely, the convergence of the flow (adiabatic compression), the shear tensor of the flow, and the acceleration of the flow, and a fourth shock pre-heating mechanism associated with the cross-shock electric field, to determine which pre-heating mechanism contributes the most to injecting shock pre-heated source particles into the first-order Fermi acceleration process. The effects of variations in traveling shock conditions, such as increasing shock obliquity and shock slowdown, and variations in the SEP source with increasing shock distance from the Sun on the coupled processes of shock pre-heating, injection, and first-order Fermi acceleration are analyzed. Besides the finding that the cross-shock acceleration of the solar wind flow yields the dominant shock pre-heating mechanism at high shock speeds, we find that first-order Fermi acceleration at fast traveling shocks differs in a number of respects from the predictions and assumptions of standard steady-state diffusive shock

  19. 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

  20. Variable-density groundwater flow and solute transport in heterogeneous porous media: approaches, resolutions and future challenges.

    PubMed

    Simmons, C T; Fenstemaker, T R; Sharp, J M

    2001-11-01

    In certain hydrogeological situations, fluid density variations occur because of changes in the solute or colloidal concentration, temperature, and pressure of the groundwater. These include seawater intrusion, high-level radioactive waste disposal, groundwater contamination, and geothermal energy production. When the density of the invading fluid is greater than that of the ambient one, density-driven free convection can lead to transport of heat and solutes over larger spatial scales and significantly shorter time scales than compared with diffusion alone. Beginning with the work of Lord Rayleigh in 1916, thermal and solute instabilities in homogeneous media have been studied in detail for almost a century. Recently, these theoretical and experimental studies have been applied in the study of groundwater phenomena, where the assumptions of homogeneity and isotropy rarely, if ever, apply. The critical role that heterogeneity plays in the onset as well as the growth and/or decay of convective motion is discussed by way of a review of pertinent literature and numerical simulations performed using a variable-density flow and solute transport numerical code. Different styles of heterogeneity are considered and range from continuously "trending" heterogeneity (sinusoidal and stochastic permeability distributions) to discretely fractured geologic media. Results indicate that both the onset of instabilities and their subsequent growth and decay are intimately related to the structure and variance of the permeability field. While disordered heterogeneity tends to dissipate convection through dispersive mixing, an ordered heterogeneity (e.g., sets of vertical fractures) allows instabilities to propagate at modest combinations of fracture aperture and separation distances. Despite a clearer understanding of the processes that control the onset and propagation of instabilities, resultant plume patterns and their migration rates and pathways do not appear amenable to

  1. Resume of the status and benefits of the two-segment approach and its applicability to the jet transport fleet

    NASA Technical Reports Server (NTRS)

    Denery, D. G.; White, K. C.; Drinkwater, F. J., III

    1974-01-01

    NASA, in cooperation with the FAA, is evaluating the two-segment approach as a routine procedure for reducing aircraft noise. The program calls for separate flight evaluations using a 727 and a DC-8, and an extrapolation of these results to determine the adaptability of the technique to the rest of the fleet. The total program is reviewed. The profile and procedures developed and the noise reduction achievable are presented. The vortex characteristics behind an aircraft on a two-segment path is covered. Finally, cost estimates for retrofitting aircraft with two-segment avionics are presented.

  2. 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

  3. 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

    2015-10-01

    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. PMID:26402149

  4. 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.

  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. An efficient coarse-grained approach for the electron transport through large molecular systems under dephasing environment

    NASA Astrophysics Data System (ADS)

    Nozaki, Daijiro; Bustos-Marún, Raul; Cattena, Carlos J.; Cuniberti, Gianaurelio; Pastawski, Horacio M.

    2016-04-01

    Dephasing effects in electron transport in molecular systems connected between contacts average out the quantum characteristics of the system, forming a bridge to the classical behavior as the size of the system increases. For the evaluation of the conductance of the molecular systems which have sizes within this boundary domain, it is necessary to include these dephasing effects. These effects can be calculated by using the D'Amato-Pastawski model. However, this method is computationally demanding for large molecular systems since transmission functions for all pairs of atomic orbitals need to be calculated. To overcome this difficulty, we develop an efficient coarse-grained model for the calculation of conductance of molecular junctions including decoherence. By analyzing the relationship between chemical potential and inter-molecular coupling, we find that the chemical potential drops stepwise in the systems with weaker inter-unit coupling. Using this property, an efficient coarse-grained algorithm which can reduce computational costs considerably without losing the accuracy is derived and applied to one-dimensional organic systems as a demonstration. This model can be used for the study of the orientation dependence of conductivity in various phases (amorphous, crystals, and polymers) of large molecular systems such as organic semiconducting materials.

  7. 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.

  8. Reduction of aircraft noise in civil air transport by optimization of flight tracks and takeoff and approach procedures

    NASA Astrophysics Data System (ADS)

    Rottmann, Uwe

    1988-08-01

    Noise optimized design of operational flight procedures for effective noise pollution reduction is analyzed. Power cutback during certain stages of approach and takeoff, extension of distance between sound source and sound receiver, as well as diminution of sound impact time are optimized for specific flight procedures and routings. Five takeoff and three landing procedures are analyzed in acoustic effects. Sound immission is computed by NOISIMSIS (NOISe IMpact SImulation System), a simulation system especially created for this task, under consideration of aircraft type specified sound emission characteristics and performance data as well as different meteorological conditions. The investigations for the example of Frankfurt airport result in formulating a planning guideline with notes and impulses for activities in operational noise abatement.

  9. Moving-base visual simulation study of decoupled controls during approach and landing of a STOL transport aircraft

    NASA Technical Reports Server (NTRS)

    Miller, G. K., Jr.; Deal, P. L.

    1975-01-01

    The simulation employed all six rigid-body degrees of freedom and incorporated aerodynamic characteristics based on wind-tunnel data. The flight instrumentation included a localizer and a flight director which was used to capture and to maintain a two-segment glide slope. A closed-circuit television display of a STOLport provided visual cues during simulations of the approach and landing. The decoupled longitudinal controls used constant prefilter and feedback gains to provide steady-state decoupling of flight-path angle, pitch angle, and forward velocity. The pilots were enthusiastic about the decoupled longitudinal controls and believed that the simulator motion was an aid in evaluating the decoupled controls, although a minimum turbulence level with root-mean-square gust intensity of 0.3 m/sec (1 ft/sec) was required to mask undesirable characteristics of the moving-base simulator.

  10. 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.

  11. 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.

  12. Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)-A Molecular Dynamics Approach.

    PubMed

    Kamaraj, Balu; Purohit, Rituraj

    2016-11-01

    Oculocutaneous albinism type IV (OCA4) is an autosomal recessive inherited disorder which is characterized by reduced biosynthesis of melanin pigmentation in skin, hair, and eyes and caused by the genetic mutations in the membrane-associated transporter protein (MATP) encoded by SLC45A2 gene. The MATP protein consists of 530 amino acids which contains 12 putative transmembrane domains and plays an important role in pigmentation and probably functions as a membrane transporter in melanosomes. We scrutinized the most OCA4 disease-associated mutation and their structural consequences on SLC45A2 gene. To understand the atomic arrangement in 3D space, the native and mutant structures were modeled. Further the structural behavior of native and mutant MATP protein was investigated by molecular dynamics simulation (MDS) approach in explicit lipid and water background. We found Y317C as the most deleterious and disease-associated SNP on SLC45A2 gene. In MDS, mutations in MATP protein showed loss of stability and became more flexible, which alter its structural conformation and function. This phenomenon has indicated a significant role in inducing OCA4. Our study explored the understanding of molecular mechanism of MATP protein upon mutation at atomic level and further helps in the field of pharmacogenomics to develop a personalized medicine for OCA4 disorder. J. Cell. Biochem. 117: 2608-2619, 2016. © 2016 Wiley Periodicals, Inc. PMID:27019209

  13. Theory of contributon transport

    SciTech Connect

    Painter, J.W.; Gerstl, S.A.W.; Pomraning, G.C.

    1980-10-01

    A general discussion of the physics of contributon transport is presented. To facilitate this discussion, a Boltzmann-like transport equation for contributons is obtained, and special contributon cross sections are defined. However, the main goal of this study is to identify contributon transport equations and investigate possible deterministic solution techniques. Four approaches to the deterministic solution of the contributon transport problem are investigated. These approaches are an attempt to exploit certain attractive properties of the contributon flux, psi = phi phi/sup +/, where phi and phi/sup +/ are the solutions to the forward and adjoint Boltzmann transport equations.

  14. Rational Mutational Analysis of a Multidrug MFS Transporter CaMdr1p of Candida albicans by Employing a Membrane Environment Based Computational Approach

    PubMed Central

    Kaushiki, Ajeeta; Pasrija, Ritu; Lynn, Andrew M.; Prasad, Rajendra

    2009-01-01

    CaMdr1p is a multidrug MFS transporter of pathogenic Candida albicans. An over-expression of the gene encoding this protein is linked to clinically encountered azole resistance. In-depth knowledge of the structure and function of CaMdr1p is necessary for an effective design of modulators or inhibitors of this efflux transporter. Towards this goal, in this study, we have employed a membrane environment based computational approach to predict the functionally critical residues of CaMdr1p. For this, information theoretic scores which are variants of Relative Entropy (Modified Relative Entropy REM) were calculated from Multiple Sequence Alignment (MSA) by separately considering distinct physico-chemical properties of transmembrane (TM) and inter-TM regions. The residues of CaMdr1p with high REM which were predicted to be significantly important were subjected to site-directed mutational analysis. Interestingly, heterologous host Saccharomyces cerevisiae, over-expressing these mutant variants of CaMdr1p wherein these high REM residues were replaced by either alanine or leucine, demonstrated increased susceptibility to tested drugs. The hypersensitivity to drugs was supported by abrogated substrate efflux mediated by mutant variant proteins and was not attributed to their poor expression or surface localization. Additionally, by employing a distance plot from a 3D deduced model of CaMdr1p, we could also predict the role of these functionally critical residues in maintaining apparent inter-helical interactions to provide the desired fold for the proper functioning of CaMdr1p. Residues predicted to be critical for function across the family were also found to be vital from other previously published studies, implying its wider application to other membrane protein families. PMID:20041202

  15. 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.

  16. 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)

  17. 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.

  18. 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.

  19. 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).

  20. Kinetic analysis of human and canine P-glycoprotein-mediated drug transport in MDR1-MDCK cell model: approaches to reduce false-negative substrate classification.

    PubMed

    Li, Jibin; Wang, Ying; Hidalgo, Ismael J

    2013-09-01

    Madin-Darby canine kidney (MDCK) cells transfected with the multidrug resistance 1 (MDR1) gene, MDR1-MDCK, are widely used as an in vitro model to classify compounds as human P-glycoprotein (hPgp) substrates or nonsubstrates. Because MDCK cells express endogenous canine Pgp (cPgp), which is prone to downregulation after transfection with hPgp, this situation could lead to false-negative classification of hPgp substrates. The aim of this study was to investigate factors that influence hPgp substrate classification in MDR1-MDCK model and to seek ways to reduce false classification. Three-compartment models were used to derive flux equations describing the drug transport processes; factors influencing hPgp substrate classification were evaluated by simulations. Pgp functionality was assessed by determining the bidirectional permeability of a series of test compounds. Expressions of hPgp and cPgp were measured by quantitative polymerase chain reaction (qPCR). Kinetic model analysis revealed that the current net flux ratio calculation for hPgp substrate classification is influenced by endogenous cPgp expression as well as hPgp-cPgp expression ratio; the effect was more pronounced in low hPgp-cPgp region and diminished in high ratio region. On the basis of kinetic considerations, this study provides a rational experimental approach and appropriate mathematical corrections to minimize the potential occurrence of false-negative classification of new molecular entities. PMID:23558561

  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. PMID:20091162

  2. 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

  3. On the Construction and the Structure of Off-Shell Supermultiplet Quotients

    NASA Astrophysics Data System (ADS)

    Hübsch, Tristan; Katona, Gregory A.

    2012-11-01

    Recent efforts to classify representations of supersymmetry with no central charge [C. F. Doran et al., Adv. Theor. Math. Phys.15, 1909 (2011)] have focused on supermultiplets that are aptly depicted by Adinkras, wherein every supersymmetry generator transforms each component field into precisely one other component field or its derivative. Herein, we study gauge-quotients of direct sums of Adinkras by a supersymmetric image of another Adinkra and thus solve a puzzle in the paper by Doran et al., Int. J. Mod. Phys. A22, 869 (2007): such (gauge-)quotients are not Adinkras but more general types of supermultiplets, each depicted as a connected network of Adinkras. Iterating this gauge-quotient construction then yields an indefinite sequence of ever larger supermultiplets, reminiscent of Weyl's construction that is known to produce all finite-dimensional unitary representations in Lie algebras.

  4. Addendum to ``Off-shell structure of the anomalous Z and γ self-couplings''

    NASA Astrophysics Data System (ADS)

    Gounaris, G. J.; Layssac, J.; Renard, F. M.

    2002-01-01

    We point out that the lowest dimension operators that preserve SU(2)×U(1) gauge invariance and induce gauge boson self-interactions affecting only the neutral gauge bosons are just two dim=8 operators. If these operators constitute the only new physics source, there will then exist only two independent anomalous couplings affecting Z and γ: i.e., one CP conserving and one CP violating. On this basis, we give the corresponding relations among the ZZZ, ZZγ, and γγZ couplings used up to now in the analyses of experimental data. A reanalysis taking these relations into account should produce much more stringent constraints on the anomalous couplings.

  5. Dilaton and off-shell (non-critical string) effects in Boltzmann equation for species abundances

    NASA Astrophysics Data System (ADS)

    Lahanas, Ab; Mavromatos, Ne; Nanopoulos, Dv

    In this work we derive the modifications to the Boltzmann equation governing the cosmic evolution of relic abundances induced by dilaton dissipative-source and non-critical-string terms in dilaton-driven non-equilibrium string Cosmologies. We also discuss briefly the most important phenomenological consequences, including modifications of the constraints on the available parameter space of cosmologically appealing particle physics models, imposed by recent precision data of astrophysical measurements.

  6. 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.

  7. 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.

  8. Effect of Temperature on Nanophase-segregation and Transport in Polysulfone-Based Anion Exchange Membrane Fuel Cell: Molecular Dynamics Simulation Approach

    NASA Astrophysics Data System (ADS)

    Ko, Kwan; Han, Kyung; Choi, Ji; Chang, Ying; Bae, Chulsung; Jang, Seung; Georgia Tech Team; RPI Team

    2013-03-01

    The effect of temperature on hydrated polysulfone-based anion exchange membrane is studied using molecular dynamics. Various temperature conditions such as 313K, 353 K and 393K with two different water contents (10 wt % and 20 wt %) are simulated. From the viewpoint of structure-property relationship, we scrutinize the change in the nanophase-segregated structure of membrane and transport of anionic charge carrier (hydroxide) as a function of temperature. Since it is well known that the anion transport is less than the proton transport, we attempt to pursue a fundamental understanding of the difference between anion transport and proton transport. For this purpose, we simulate the polysulfone-based proton exchange membrane that has the same molecular structure and molecular weight. By analyzing the pair-correlation of charge carriers, we observe the correlation among hydroxides is much stronger than that among hydroniums. The extent of nanophase-segregation is also analyzed using structure factor profile.

  9. 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

  10. 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

  11. Monte Carlo Transport for Electron Thermal Transport

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2015-11-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup electron thermal transport method of Cao et al. is adapted into a Monte Carlo transport method in order to better model the effects of non-local behavior. The end goal is a hybrid transport-diffusion method that combines Monte Carlo Transport with a discrete diffusion Monte Carlo (DDMC). The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the method will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

  12. 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.

  13. 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)

  14. Development of a risk assessment tool for contact tracing people after contact with infectious patients while travelling by bus or other public ground transport: a Delphi consensus approach

    PubMed Central

    Mohr, Oliver; Hermes, Julia; Schink, Susanne B; Askar, Mona; Menucci, Daniel; Swaan, Corien; Goetsch, Udo; Monk, Philip; Eckmanns, Tim; Poggensee, Gabriele; Krause, Gérard

    2013-01-01

    Background Tracing persons who have been in contact with an infectious patient may be very effective in preventing the spread of communicable diseases. However, criteria to decide when to conduct contact tracing are not well established. We have investigated the available evidence for contact tracing with a focus on public ground transport aiming to give guidance in what situations contact tracing should be considered. Methods Relevant infectious diseases suitable for contact tracing in ground transport and a set of disease-specific epidemiological criteria were defined through literature search and structured multistep expert consultations. We developed continuous scales for each criterion to be rated for its relevance to contact tracing in ground transport. We used the Delphi method with an international expert panel to position the values of criteria on the respective scales. Results The study led to the development of the ‘Contact Tracing-Risk Assessment Profile’ (CT-RAP), a decision-making instrument, taking into account pathogen-specific as well as situation-specific criteria. This report describes the methodology of this instrument and presents two examples of ready-to-use CT-RAP for tuberculosis and for meningococcal disease in public ground transport. Discussion The systematic and transparent use of the CT-RAP for tuberculosis and meningococcal disease is likely to facilitate reasonable, efficient and user-friendly decisions with respect to contact tracing. New CT-RAPs for additional pathogens and different settings such as schools and kindergartens are being planned. PMID:24157815

  15. 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.

  16. Effects of kaolinite colloids on Cd2 + transport through saturated sand under varying ionic strength conditions: Column experiments and modeling approaches

    NASA Astrophysics Data System (ADS)

    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 Cd2 + without kaolinite colloids and 10 mg L- 1 Cd2 + mixed with 100 mg L- 1 kaolinite colloids. The nonequilibrium two-site model (TSM) described the behavior of both Cd2 + transport and Cd2 + co-transported with kaolinite colloids better than the equilibrium model (CDeq) (R2 = 0.978-0.996). The results showed that an increase in ionic strength negatively impacted the retardation factors (R) of both Cd2 + and Cd2 + mixed with kaolinite colloids. The presence of kaolinite colloids increased the retardation factors of Cd2 + 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 Cd2 + 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 (Kf) were estimated from HYDRUS-1D of TSM for Cd2 + transport. The fraction of instantaneous sorption sites was found to increase for an increase in ionic strength. Kf values of Cd2 + transport without kaolinite colloids for 0.0, 0.225 and 0.45 mM were found to be higher than those of Cd2 + transport with kaolinite colloids, except for ionic strength of 0.9 mM. Hence, the presence of kaolinite colloids probably retarded the mobility of Cd2 + in porous media for higher ionic strengths. Furthermore, retardation factors and Kf values of both Cd2 + transport and Cd2 + 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 Cd2 + sorption onto quartz sand can be better described using equilibrium sorption rather than nonequilibrium sorption for an increase in ionic strength.

  17. 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. PMID

  18. Pupil Transportation.

    ERIC Educational Resources Information Center

    Stollar, Dewey H.

    The purpose of this NEFP satellite study is to provide an overview of pupil transportation. The first phase of the study discusses the early legal and financial bases for student transportation, the second the current status of student transportation, and the third the future status of student transportation needs and financing for 1980.…

  19. 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

  20. 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% from the lower level (0-3 km), 21% entrained from the upper troposphere, and 32% from mid-atmosphere based on observations. The transport analysis framework is applied to aerosols to estimate aerosol transport and wet-scavenging efficiency. Observations yield high overall scavenging efficiencies of 81% and 68% for aerosol mass (Dp < 1μm) and aerosol number (0.03< Dp < 2.5μm), respectively. Little chemical selectivity to wet scavenging is seen among observed submicron sulfate (84%), organic (82%), and ammonium (80%) aerosols, while nitrate has a much lower scavenging efficiency of 57% likely due to the uptake of nitric acid. Observed larger size particles (0.15 - 2.5μm) are scavenged more efficiently (84%) than smaller particles (64%; 0.03 - 0.15μm). The storm is simulated using the chemistry version of the WRF model. Compared to the observation based analysis, the standard model underestimates the wet scavenging efficiency for both mass and number concentrations with low biases of 31% and 40%, respectively. Adding a new treatment of secondary activation significantly improves simulation results, so that the bias in scavenging efficiency in mass and number concentrations is reduced to <10%. This supports the hypothesis that secondary activation is an important process for wet removal of aerosols in deep convective storms.

  1. Thermodynamically Constrained Averaging Theory Approach for Modeling Flow and Transport Phenomena in Porous Medium Systems: 8. Interface and Common Curve Dynamics

    PubMed Central

    Gray, William G.; Miller, Cass T.

    2010-01-01

    This work is the eighth in a series that develops the fundamental aspects of the thermodynamically constrained averaging theory (TCAT) that allows for a systematic increase in the scale at which multiphase transport phenomena is modeled in porous medium systems. In these systems, the explicit locations of interfaces between phases and common curves, where three or more interfaces meet, are not considered at scales above the microscale. Rather, the densities of these quantities arise as areas per volume or length per volume. Modeling of the dynamics of these measures is an important challenge for robust models of flow and transport phenomena in porous medium systems, as the extent of these regions can have important implications for mass, momentum, and energy transport between and among phases, and formulation of a capillary pressure relation with minimal hysteresis. These densities do not exist at the microscale, where the interfaces and common curves correspond to particular locations. Therefore, it is necessary for a well-developed macroscale theory to provide evolution equations that describe the dynamics of interface and common curve densities. Here we point out the challenges and pitfalls in producing such evolution equations, develop a set of such equations based on averaging theorems, and identify the terms that require particular attention in experimental and computational efforts to parameterize the equations. We use the evolution equations developed to specify a closed two-fluid-phase flow model. PMID:21197134

  2. Modeling of mass and charge transport in a solid oxide fuel cell anode structure by a 3D lattice Boltzmann approach

    NASA Astrophysics Data System (ADS)

    Paradis, Hedvig; Andersson, Martin; Sundén, Bengt

    2015-09-01

    A 3D model at microscale by the lattice Boltzmann method (LBM) is proposed for part of an anode of a solid oxide fuel cell (SOFC) to analyze the interaction between the transport and reaction processes and structural parameters. The equations of charge, momentum, heat and mass transport are simulated in the model. The modeling geometry is created with randomly placed spheres to resemble the part of the anode structure close to the electrolyte. The electrochemical reaction processes are captured at specific sites where spheres representing Ni and YSZ materials are present with void space. This work focuses on analyzing the effect of structural parameters such as porosity, and percentage of active reaction sites on the ionic current density and concentration of H2 using LBM. It is shown that LBM can be used to simulate an SOFC anode at microscale and evaluate the effect of structural parameters on the transport processes to improve the performance of the SOFC anode. It was found that increasing the porosity from 30 to 50 % decreased the ionic current density due to a reduction in the number of reaction sites. Also the consumption of H2 decreased with increasing porosity. When the percentage of active reaction sites was increased while the porosity was kept constant, the ionic current density increased. However, the H2 concentration was slightly reduced when the percentage of active reaction sites was increased. The gas flow tortuosity decreased with increasing porosity.

  3. Modeling of mass and charge transport in a solid oxide fuel cell anode structure by a 3D lattice Boltzmann approach

    NASA Astrophysics Data System (ADS)

    Paradis, Hedvig; Andersson, Martin; Sundén, Bengt

    2016-08-01

    A 3D model at microscale by the lattice Boltzmann method (LBM) is proposed for part of an anode of a solid oxide fuel cell (SOFC) to analyze the interaction between the transport and reaction processes and structural parameters. The equations of charge, momentum, heat and mass transport are simulated in the model. The modeling geometry is created with randomly placed spheres to resemble the part of the anode structure close to the electrolyte. The electrochemical reaction processes are captured at specific sites where spheres representing Ni and YSZ materials are present with void space. This work focuses on analyzing the effect of structural parameters such as porosity, and percentage of active reaction sites on the ionic current density and concentration of H2 using LBM. It is shown that LBM can be used to simulate an SOFC anode at microscale and evaluate the effect of structural parameters on the transport processes to improve the performance of the SOFC anode. It was found that increasing the porosity from 30 to 50 % decreased the ionic current density due to a reduction in the number of reaction sites. Also the consumption of H2 decreased with increasing porosity. When the percentage of active reaction sites was increased while the porosity was kept constant, the ionic current density increased. However, the H2 concentration was slightly reduced when the percentage of active reaction sites was increased. The gas flow tortuosity decreased with increasing porosity.

  4. Strongly interacting parton matter equilibration

    SciTech Connect

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

    2012-07-15

    We study the kinetic and chemical equilibration in 'infinite' parton matter within the Parton-Hadron-String Dynamics transport approach. The 'infinite' matter is simulated within a cubic box with periodic boundary conditions initialized at different energy densities. Particle abundances, kinetic energy distributions, and the detailed balance of the off-shell quarks and gluons in the strongly-interacting quarkgluon plasma are addressed and discussed.

  5. Transportation Outreach Program Plan

    SciTech Connect

    Not Available

    1991-08-01

    The Department of Energy (DOE) Transportation Management Program (TMP) is committed to providing opportunities for public interaction, working cooperatively with groups interested in or affected by DOE transportation, and providing information through the development and implementation of its Outreach Program. This Plan describes how the DOE plans to involve the public in its transportation programs. This Transportation Outreach Program Plan will assist the Secretary of Energy is carrying out his vision of the good neighbor'' policy. The Department of Energy encourages face to face interaction and welcomes comments from everyone. Outreach means to go beyond,'' and the TMP, through its Outreach Program, will hear and address the public's concerns and recommendations about transportation of hazardous and radioactive materials. The TMP Outreach Program is based on a commitment to two-way communication. The TMP coordinates transportation policy for all DOE programs to ensure consistent approaches issues and operations. The TMP conducts outreach by interacting with many groups interested in DOE transportation, facilitating resolution of issues and information exchange, and coordinating the DOE's transportation emergency preparedness capabilities. Many of the specific activities in transportation outreach are usually carried out by field and area offices. 4 figs., 2 tabs.

  6. Transport: Introduction

    NASA Technical Reports Server (NTRS)

    Lewis, William; Rosenberg, Sanders D.

    1992-01-01

    Space transportation requirements for the NASA baseline scenario for future space missions are discussed. Spacecraft/propulsion technologies required for surface-to-orbit, orbit-to-orbit, and surface (lunar) transportation are addressed.

  7. A New Approach to Testing the Fossorial Rodent Hypothesis of Mima Mound Formation Using Airborne-Based LIDAR and a Diffusive Sediment Transport Model

    NASA Astrophysics Data System (ADS)

    Reed, S. E.; Amundson, R.

    2007-12-01

    Mima mounds are nearly circular soil mounds, found in grassland landscapes. In California, Mima mounds are often associated with vernal pools, seasonal wetlands that harbor rare and endemic plants and animals. The processes that form and maintain the mound-pool complexes have not yet been conclusively identified, even though such information is necessary to understand the effects that land use and climate change may have on the resilience and longevity of these landscapes. One hypothesis for the origin and persistence of Mima mound- vernal pool systems (termed the Fossorial Rodent Hypothesis) proposes that burrowing organisms such as pocket gophers (Rodentia: Geomyidae) maintain and possibly create the mounds by preferentially translocating soils towards mound centers as an adaptive response to high water tables. In order to investigate this hypothesis, the topographic characteristics and aboveground gopher activity of one of the largest remaining Mima mound-vernal pool systems in California were studied. Detailed topographic information for the mound-pool systems was obtained via an airborne-based LIDAR (Light Detection and Ranging) survey of a 25km2 region near Merced, CA. An object-oriented classification scheme, which combined different scale, shape, and spectral parameters, was employed in order to characterize the mounds. Based on the initial classification results, roughly 275,000 mounds were identified, indicating a mound density of 11,000km-2. Within the larger study area, gopher sediment transport was monitored on a 3507m2 site by conducting periodic surveys of sediment mounds created by gopher activity using a Global Positioning System and mass measurements. Downslope erosion rates (off Mima mounds) were estimated using a mass balance model which incorporates a diffusive sediment transport law. The median calculated net downslope erosion rate was 15 cm of soil per 1000 years, while the measured rate of aboveground gopher sediment movement was

  8. Some considerations in the experimental approach to distinguishing between membrane transport and intracellular disposition of antineoplastic agents, with specific reference to fluorodeoxyuridine, actinomycin D, and methotrexate

    SciTech Connect

    Goldman, D.; Bowen, D.; Gewirtz, D.A.

    1981-01-01

    Analysis of the interaction between an anticancer agent and the intact cell can provide important clues to cytotoxic determinants and mechanisms of drug selectivity and resistance. This can be very useful in optimally evaluating single and multidrug regimens in test systems, designing new agents, and evaluating drug metabolism and binding to cellular target sites. This cellular pharmacokinetic approach requires very meticulous attention to experimental design, especially the time dimension chosen for study, and an appropriate framework for data analysis. This paper reviews cellular pharmacokinetic principles and experimental approaches that can be applied in uptake studies with cytotoxic agents, focusing, as examples, on studies from this laboratory with fluorodeoxyuridine, actinomycin D, and methotrexate.

  9. School Transportation.

    ERIC Educational Resources Information Center

    Executive Educator, 1990

    1990-01-01

    This special section on student transportation offers a case study of a school system that recycles buses for safety drills; articles on fuel-saving strategies, the pros and cons of contracting for transportation services or operating a publicly owned bus fleet, and advice on full cost accounting for transportation costs; and a transportation…

  10. 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.

  11. Real-time monitoring of South American smoke particle emissions and transport using a coupled remote sensing/box-model approach

    NASA Astrophysics Data System (ADS)

    Reid, Jeffrey S.; Prins, Elaine M.; Westphal, Douglas L.; Schmidt, Christopher C.; Richardson, Kim A.; Christopher, Sundar A.; Eck, Thomas F.; Reid, Elizabeth A.; Curtis, Cynthia A.; Hoffman, Jay P.

    2004-03-01

    Since August 2000, the Wild fire Automated Biomass Burning Algorithm (WF_ABBA) has been generating half-hourly fire hot spot analyses for the Western Hemisphere using GOES satellites to provide the Naval Research Laboratory (NRL) Aerosol Analysis and Prediction System (NAAPS) with near-real-time fire products. These are used to generate smoke particle fluxes for aerosol transport forecasting to benefit the scientific, weather, and regulatory communities. In South America, fire hot-spot analysis is shown to be adequate for generating real-time smoke source functions for aerosol forecast models. We present smoke coverage and flux estimates based on the WF_ABBA and NAAPS products. Modeled fluxes of emissions for 2001-2002 are ~25 + 10 Tg yr-1, similar to previous estimates. Correlations of optical depth with MODIS and AERONET show good agreement with observations. Comparisons of NAAPS aerosol fields with MODIS also show potential clear sky and other biases as smoke is transported into the Atlantic Ocean and the ITCZ.

  12. How does the increment of hetero-cyclic conjugated moieties affect electro-optical and charge transport properties of novel naphtha-difuran derivatives? A computational approach.

    PubMed

    Chaudhry, Aijaz Rasool; Ahmed, R; Irfan, Ahmad; Muhammad, Shabbir; Shaari, A; Al-Sehemi, Abdullah G

    2014-12-01

    We have investigated computationally the effects of π-conjugation extension on naphtha[2,1-b:6,5-b'] difuran (DPNDF); where we increase the number of fused NDF (central core) and furan rings in the parent molecule. The molecular structures of all analogues have been optimized at the ground (S0) and first excited (S1) states using density functional theory (DFT) and time-dependent density functional theory (TD-DFT), respectively. Then highest occupied molecular orbitals (HOMOs), the lowest unoccupied molecular orbitals (LUMOs), photophysical properties, adiabatic/vertical electron affinities (EAa)/(EAv), adiabatic/vertical ionization potentials (IPa)/(IPv), and hole/electron reorganization energies λh/λe have been investigated. The effect of NDF and furan rings on structural and electro-optical properties has also been studied. Our calculated reorganization energies of 1a, 1b, and 2c reveal them, materials with balanced hole/electron charge transport, whereas 2a and 2b are good hole-transport materials. By increasing the number of furan rings; the photostability was augmented in 2a, 2b, and 2c. PMID:25503703

  13. A new'' approach to the quantitative statistical dynamics of plasma turbulence: The optimum theory of rigorous bounds on steady-state transport

    SciTech Connect

    Krommes, J.A. . Plasma Physics Lab.); Kim, Chang-Bae . Inst. for Fusion Studies)

    1990-06-01

    The fundamental problem in the theory of turbulent transport is to find the flux {Gamma} of a quantity such as heat. Methods based on statistical closures are mired in conceptual controversies and practical difficulties. However, it is possible to bound {Gamma} by employing constraints derived rigorously from the equations of motion. Brief reviews of the general theory and its application to passive advection are given. Then, a detailed application is made to anomalous resistivity generated by self-consistent turbulence in a reversed-field pinch. A nonlinear variational principle for an upper bound on the turbulence electromotive force for fixed current is formulated from the magnetohydrodynamic equations in cylindrical geometry. Numerical solution of a case constrained solely by energy balance leads to a reasonable bound and nonlinear eigenfunctions that share intriguing features with experimental data: the dominant mode numbers appear to be correct, and field reversal is predicted at reasonable values of the pinch parameter. Although open questions remain upon considering all bounding calculations to date one can conclude, remarkably, that global energy balance constrains transport sufficiently so that bounds derived therefrom are not unreasonable and that bounding calculations are feasible even for involved practical problems. The potential of the method has hardly been tapped; it provides a fertile area for future research. 29 refs.

  14. Production of two charm quark-antiquark pairs in single-parton scattering within the kt-factorization approach

    NASA Astrophysics Data System (ADS)

    van Hameren, Andreas; Maciuła, Rafał; Szczurek, Antoni

    2015-09-01

    We present first results for the 2 → 4 single-parton scattering gg → c c bar c c bar subprocess for the first time fully within the kt-factorization approach. In this calculation we have used the Kimber-Martin-Ryskin unintegrated gluon distribution which effectively includes some class of higher-order gluon emissions, and an off-shell matrix element squared calculated using recently developed techniques. The results are compared with our earlier result obtained within the collinear-factorization approach. Only slightly larger cross sections are obtained than in the case of the collinear approach. Inclusion of transverse momenta of gluons entering the hard process leads to a much stronger azimuthal decorrelation between cc and c bar c bar than in the collinear-factorization approach. A comparison to predictions of double parton scattering (DPS) results and the LHCb data strongly suggests that the assumption of two fully independent DPS (gg → c c bar ⊗ gg → c c bar) may be too approximate.

  15. Decrease in thermal conductivity in polymeric P3HT nanowires by size-reduction induced by crystal orientation: new approaches towards thermal transport engineering of organic materials.

    PubMed

    Rojo, Miguel Muñoz; Martín, Jaime; Grauby, Stéphane; Borca-Tasciuc, Theodorian; Dilhaire, Stefan; Martin-Gonzalez, Marisol

    2014-07-21

    To date, there is no experimental characterization of thermal conductivity of semiconductor polymeric individual nanowires embedded in a matrix. This work reports on scanning thermal microscopy measurements in a 3ω configuration to determine how the thermal conductivity of individual nanowires made of a model conjugated polymer (P3HT) is modified when decreasing their diameters. We observe a reduction of thermal conductivity, from λNW = 2.29 ± 0.15 W K(-1) m(-1) to λNW = 0.5 ± 0.24 W K(-1) m(-1), when the diameter of nanowires is reduced from 350 nm to 120 nm, which correlates with the polymer crystal orientation measured by WAXS. Through this work, the foundations for future polymer thermal transport engineering are presented. PMID:24933655

  16. Sediment transport process and East Asian monsoon evolution during the last 410 kyr in the northern South China Sea: a multi-proxy approach

    NASA Astrophysics Data System (ADS)

    Chen, Quan; Liu, Zhifei; Kissel, Catherine

    2015-04-01

    Terrigenous detrital materials buried at sea is a book documenting their whole life, including the continental environment where they originated from and the transport process they experienced. In order to reconstruct the East Asian monsoon evolution in late Quaternary, we need to read this book correctly. The key problem is to well understand the proxies and pick the right ones, because most of them are affected by several factors. In this study, clay and magnetic mineralogical measurements and geochemical XRF analyses were conducted on Core MD12-3432 taken from the northern South China Sea at 2125 m water depth during the CIRCEA cruise organized within Franco-Chinese LIA-MONOCL framework on board the R.V. Marion Dufresne. The age model is derived from both carbonate and magnetic stratigraphy. The clearly identified Laschamp and Iceland Basin geomagnetic excursions are used as tie points. Coupled earth magnetic field paleointensity and carbonate content record calibrated from XRF core scanned calcium intensity, we established a robust age model, indicating that Core MD12-3432 covers the last 410 kyr with an average sedimentation rate of 12.4 cm/kyr. The calibrated XRF-scan data provide high-resolution Ti/Ca, Al/Si and K/Al ratios. Ti/Ca and Al/Si ratios vary in phase, indicating strong clastic flux and short transport distances during glacials. Variations in K/Al ratio show an independent pattern, suggesting that temperature-driven chemical weathering is not the main control factor. Special attention needs therefore to be paid to the transport process. For that purpose, anisotropy of magnetic susceptibility was measured on discrete samples at 50 cm intervals. Orientations of the principal anisotropy axes could be reconstructed, using the NRM declination to orient the core in the horizontal plane. The maximum axis is relatively well oriented in the stratigraphic plane of the sedimentary magnetic fabric. A 90° shift is observed at the MIS 5-6 boundary, suggesting a

  17. A Focused Transport Approach to SEP acceleration at a Fast Parallel Shock in the Corona Including Self-excitation of Alfvén Waves

    NASA Astrophysics Data System (ADS)

    le Roux, J. A.

    2012-12-01

    It has been argued that the acceleration of SEPS at a quasi-parallel CME-driven shock to GeV energies in the corona only occurs if strong wave-excitation by SEPs ahead of the shock reduces the parallel mean free path upstream, thus boosting the rate of diffusive shock acceleration. To investigate this issue, we modeled SEP acceleration at a fast parallel traveling shock in the corona with an existing time-dependent focused transport model. The model has been expanded recently to also feature time-dependent self-excitation and damping of Alfvén waves by SEP anisotropies ahead of the shock based on standard quasi-linear theory. Alfvén wave propagation near the traveling shock is modeled based on standard theory for wave transport in a slowly varying non-uniform plasma medium. Preliminary results will be shown to illustrate the increase in wave power driven by SEP anisotropies upstream, the effect of the shock wave in shortening the wave length and increasing the wave amplitude of Alfvén waves, and the associated acceleration of SEPs by 1st order Fermi acceleration to high energies. The role of the acceleration of the cross-shock solar wind flow, which was found to create a downstream population of shock pre-heated particles which forms an additional source for injection into 1st order Fermi acceleration, will be discussed in terms of how it affects self-excitation of Alfvén waves and the formation of high-energy SEPs by 1st order Fermi acceleration.

  18. The Effect of Sediment Transport and Hydrological Conditions on Wetlands Bed Elevation: A numerical Approach in Loxahatchee Impoundment Landscape Assessment (LILA)

    NASA Astrophysics Data System (ADS)

    Mahmoudi, M.; Miralles-Wilhelm, F. R.; Garcia, R.

    2012-12-01

    A physically based numerical model of sediment transport has been developed as an extension to FLO - 2D integrated surface water/groundwater model. The developed model has been used to simulate the effect of sediment transport and surface water/groundwater interactions on spatial and temporal variation of bed elevation in the ridge and slough landscape, and to explore how these processes may affect the formation, maintenance and stability of the ridge and slough landscape patterns observed in wetlands. The developed model was calibrated using data obtained from a tracer test study which was conducted in 2007 at Loxahatchee Impoundment Landscape Assessment (LILA). Sensitivity analysis was performed to assess how the model responds to changes in flow conditions and groundwater head elevation. Water samples were taken from several locations within a flowing macrocosm of LILA before, and after extreme events, and during a series of manually generated pulse flow. Suspended sediment concentration was measured in the lab. These data along with other data such as water depth and velocity, and groundwater head, were collected to support and validate the developed model. Bed elevation is been measured using site topography from available LiDAR data. Results from the model development and numerical simulations from this research will provide an improved understanding of how wetland features such as ridges may have formed and degraded by changes in water management that resulted from increasing human activity in wetlands such as The Florida Everglades, over the past decades Ridge and Slough Featurs of The Everglades, Florida Loxahatchee Impoundment Landscape Assessment (LILA), West Palm Beach, Florida

  19. Do we really need a large number of particles to simulate bimolecular reactive transport with random walk methods? A kernel density estimation approach

    NASA Astrophysics Data System (ADS)

    Rahbaralam, Maryam; Fernàndez-Garcia, Daniel; Sanchez-Vila, Xavier

    2015-12-01

    Random walk particle tracking methods are a computationally efficient family of methods to solve reactive transport problems. While the number of particles in most realistic applications is in the order of 106-109, the number of reactive molecules even in diluted systems might be in the order of fractions of the Avogadro number. Thus, each particle actually represents a group of potentially reactive molecules. The use of a low number of particles may result not only in loss of accuracy, but also may lead to an improper reproduction of the mixing process, limited by diffusion. Recent works have used this effect as a proxy to model incomplete mixing in porous media. In this work, we propose using a Kernel Density Estimation (KDE) of the concentrations that allows getting the expected results for a well-mixed solution with a limited number of particles. The idea consists of treating each particle as a sample drawn from the pool of molecules that it represents; this way, the actual location of a tracked particle is seen as a sample drawn from the density function of the location of molecules represented by that given particle, rigorously represented by a kernel density function. The probability of reaction can be obtained by combining the kernels associated to two potentially reactive particles. We demonstrate that the observed deviation in the reaction vs time curves in numerical experiments reported in the literature could be attributed to the statistical method used to reconstruct concentrations (fixed particle support) from discrete particle distributions, and not to the occurrence of true incomplete mixing. We further explore the evolution of the kernel size with time, linking it to the diffusion process. Our results show that KDEs are powerful tools to improve computational efficiency and robustness in reactive transport simulations, and indicates that incomplete mixing in diluted systems should be modeled based on alternative mechanistic models and not on a

  20. Understanding interannual variability in the distribution of, and transport processes affecting, the early life stages of Todarodes pacificus using behavioral-hydrodynamic modeling approaches

    NASA Astrophysics Data System (ADS)

    Kim, Jung Jin; Stockhausen, William; Kim, Suam; Cho, Yang-Ki; Seo, Gwang-Ho; Lee, Joon-Soo

    2015-11-01

    To understand interannual variability in the distribution of the early life stages of Todarodes pacificus summer spawning population, and to identify the key transport processes influencing this variability, we used a coupled bio-physical model that combines an individual-based model (IBM) incorporating ontogenetic vertical migration for paralarval behavior and temperature-dependent survival process with a ROMS oceanographic model. Using the distribution of paralarvae observed in the northern East China Sea (ECS) during several field cruises as an end point, the spawning ground for the summer-spawning population was estimated to extend from southeast Jeju Island to the central ECS near 29°N by running the model backwards in time. Running the model forward, interannual variability in the distribution of paralarvae predicted by the model was consistent with that observed in several field surveys; surviving individuals in the northern ECS were substantially more abundant in late July 2006 than in 2007, in agreement with observed paralarval distributions. The total number of surviving individuals at 60 days after release based on the simulation throughout summer spawning period (June-August) was 20,329 for 2006, compared with 13,816 for 2007. The surviving individuals were mainly distributed in the East/Japan Sea (EJS), corresponding to a pathway following the nearshore branch of the Tsushima Warm Current flowing along the Japanese coast during both years. In contrast, the abundance of surviving individuals was extremely low in 2007 compared to 2006 on the Pacific side of Japan. Interannual variability in transport and survival processes made a substantial impact on not only the abundance of surviving paralarvae, but also on the flux of paralarvae to adjacent waters. Our simulation results for between-year variation in paralarval abundance coincide with recruitment (year n + 1) variability of T. pacificus in the field. The agreement between the simulation and field

  1. Aerosol transport and wet scavenging in deep convective clouds: A case study and model evaluation using a multiple passive tracer analysis approach

    NASA Astrophysics Data System (ADS)

    Yang, Qing; Easter, Richard C.; Campuzano-Jost, Pedro; Jimenez, Jose L.; Fast, Jerome D.; Ghan, Steven J.; Wang, Hailong; Berg, Larry K.; Barth, Mary C.; Liu, Ying; Shrivastava, Manishkumar B.; Singh, Balwinder; Morrison, Hugh; Fan, Jiwen; Ziegler, Conrad L.; Bela, Megan; Apel, Eric; Diskin, Glenn S.; Mikoviny, Tomas; Wisthaler, Armin

    2015-08-01

    Wet scavenging of aerosols by continental deep convective clouds is studied for a supercell storm complex observed over Oklahoma during the Deep Convective Clouds and Chemistry campaign. A new passive-tracer-based transport analysis framework is developed to characterize convective transport using vertical profiles of several passive trace gases. For this case, the analysis estimates that observed passive gas mixing ratios in the upper troposphere convective outflow consist of 47% low level (<3 km) inflow air, 32% entrained midtroposphere air, and 21% upper troposphere air. The new analysis framework is used to estimate aerosol wet scavenging efficiencies. Observations yield high overall scavenging efficiencies of 81% for submicron aerosol mass. Organic, sulfate, and ammonium aerosols have similar wet scavenging efficiencies (80%-84%). The apparent scavenging efficiency for nitrate aerosol is much lower (57%), but the scavenging efficiency for nitrate aerosol plus nitric acid combined (84%) is close to the other species. Scavenging efficiencies for aerosol number are high for larger particles (84% for 0.15-2.5 µm diameter) but are lower for smaller particles (64% for 0.03-0.15 µm). The storm is simulated using the chemistry version of the Weather Research and Forecasting model. Compared to the observation-based analysis, the standard model strongly underestimates aerosol scavenging efficiencies by 32% and 41% in absolute differences for submicron mass and number. Adding a new treatment of secondary activation significantly improves simulated aerosol scavenging, producing wet scavenging efficiencies that are only 7% and 8% lower than observed efficiencies. This finding emphasizes the importance of secondary activation for aerosol wet removal in deep convective storms.

  2. Multiple dating approach (14C, U/Th and 36Cl) of tsunami-transported reef-top megaclasts on Bonaire (Leeward Antilles) - potential and current limitations

    NASA Astrophysics Data System (ADS)

    Rixhon, Gilles; May, Simon Matthias; Engel, Max; Mechernich, Silke; Keulertz, Rebecca; Schroeder-Ritzrau, Andrea; Fohlmeister, Jens; Frank, Norbert; Dunai, Tibor; Brueckner, Helmut

    2016-04-01

    Coastal hazard assessment depends on reliable information on the magnitude and frequency of past high-energy wave events (EWE: tsunamis, storms). For this purpose onshore sedimentary records represent promising geo-archives for the mid- and late-Holocene EWE history. In comparison to fine-grained sediments which have been extensively studied in the recent past, supralittoral megaclasts are less investigated, essentially due to the difficulties related to the dating of corresponding depositional events, and thus their limited value for inferring the timing of major events. On Bonaire (Leeward Antilles, Caribbean), supratidal coarse-clast deposits form prominent landforms all around the island. Fields of large boulders (up to 150 t) are among the best-studied reef-top megaclasts worldwide. Transport by Holocene tsunamis is assumed at least for the largest boulders (Engel and May, 2012). Although a large dataset of 14C and electron spin resonance (ESR) ages is available for major coral rubble ridges and ramparts, showing some age clusters during the Late Holocene, it is still debated whether these data reflect the timing of major depositional/transport event(s), and how these data sets are biased by reworking of coral fragments. In addition, different processes may be responsible for the deposition of the coral rubble ridges and ramparts (storm) and the solitary megaclasts (tsunami). As an attempt to overcome the current challenges for dating the dislocation of the megaclasts, three distinct dating methods were implemented: (i) 14C dating of boring bivalves (Lithophaga) attached to the boulders; (ii) uranium-series (U/Th) dating of post-depositional, secondary calcitic flowstone at the underside of the boulders; and (iii) surface exposure dating of overturned boulders via 36Cl concentration measurements in corals. The three 14C datings yield age estimates >37 ka, i.e. most probably beyond the applicability of the method, which sheds doubt on the usefulness of this

  3. The distribution of benthic biomass in hadal trenches: A modelling approach to investigate the effect of vertical and lateral organic matter transport to the seafloor

    NASA Astrophysics Data System (ADS)

    Ichino, Matteo C.; Clark, Malcolm R.; Drazen, Jeffrey C.; Jamieson, Alan; Jones, Daniel O. B.; Martin, Adrian P.; Rowden, Ashley A.; Shank, Timothy M.; Yancey, Paul H.; Ruhl, Henry A.

    2015-06-01

    Most of our knowledge about deep-sea habitats is limited to bathyal (200-3000 m) and abyssal depths (3000-6000 m), while relatively little is known about the hadal zone (6000-11,000 m). The basic paradigm for the distribution of deep seafloor biomass suggests that the reduction in biomass and average body size of benthic animals along depth gradients is mainly related to surface productivity and remineralisation of sinking particulate organic carbon with depth. However, there is evidence that this pattern is somewhat reversed in hadal trenches by the funnelling of organic sediments, which would result in increased food availability along the axis of the trenches and towards their deeper regions. Therefore, despite the extreme hydrostatic pressure and remoteness from the pelagic food supply, it is hypothesized that biomass can increase with depth in hadal trenches. We developed a numerical model of gravitational lateral sediment transport along the seafloor as a function of slope, using the Kermadec Trench, near New Zealand, as a test environment. We propose that local topography (at a scale of tens of kilometres) and trench shape can be used to provide useful estimates of local accumulation of food and, therefore, patterns of benthic biomass. Orientation and steepness of local slopes are the drivers of organic sediment accumulation in the model, which result in higher biomass along the axis of the trench, especially in the deepest spots, and lower biomass on the slopes, from which most sediment is removed. The model outputs for the Kermadec Trench are in agreement with observations suggesting the occurrence of a funnelling effect and substantial spatial variability in biomass inside a trench. Further trench surveys will be needed to determine the degree to which seafloor currents are important compared with the gravity-driven transport modelled here. These outputs can also benefit future hadal investigations by highlighting areas of potential biological interest

  4. Comparison of a linear and a nonlinear washout for motion simulators utilizing objective and subjective data from CTOL transport landing approaches

    NASA Technical Reports Server (NTRS)

    Parrish, R. V.; Martin, D. J., Jr.

    1976-01-01

    Objective and subjective data gathered in the processes of comparing a linear and a nonlinear washout for motion simulators reveal that there is no difference in the pilot performance measurements used during instrument landing system (ILS) approaches with a Boeing 737 conventional takeoff and landing (CTOL) airplane between fixed base, linear washout, and nonlinear washout operations. However, the subjective opinions of the pilots reveal an important advance in motion cue presentation. The advance is not in the increased cue available over a linear filter for the same amount of motion base travel but rather in the elimination of false rotational rate cues presented by linear filters.

  5. Commercial jet transport crashworthiness

    NASA Technical Reports Server (NTRS)

    Widmayer, E.; Brende, O. B.

    1982-01-01

    The results of a study to identify areas of research and approaches that may result in improved occupant survivability and crashworthiness of transport aircraft are given. The study defines areas of structural crashworthiness for transport aircraft which might form the basis for a research program. A 10-year research and development program to improve the structural impact resistance of general aviation and commercial jet transport aircraft is planned. As part of this program parallel studies were conducted to review the accident experience of commercial transport aircraft, assess the accident performance of structural components and the status of impact resistance technology, and recommend areas of research and development for that 10-year plan. The results of that study are also given.

  6. The serotonin transporter gene polymorphism (5HTTLPR) moderates the effect of adolescent environmental conditions on self-esteem in young adulthood: a structural equation modeling approach.

    PubMed

    Jonassaint, Charles R; Ashley-Koch, Allison; Whitfield, Keith E; Hoyle, Rick H; Richman, Laura Smart; Siegler, Ilene C; Royal, Charmaine D; Williams, Redford

    2012-09-01

    Here we examine the effects of both self-reported and independent observer-reported environmental risk indices, the serotonin transporter gene promoter (5HTTLPR) polymorphism, and their interaction on self-esteem. This trait was assessed during early and mid adolescence (mean age=14 and 16.5, respectively) and young adulthood (mean age=21.8) in a prospective cohort of 1214 unrelated participants in the Longitudinal Study of Adolescent Health (Add Health). Using structural equation modeling we identified a gene-environment (G×E) interaction using observer-report but not self-report measures of environmental stress exposure during adolescence: 5HTTLPR genotype and observer-reports of home and neighborhood quality (HNQ) during adolescence interacted to predict self-esteem levels in young adulthood (p<.004). Carriers of the s allele who lived in poor HNQ conditions during adolescence reported lower self-esteem in young adulthood than those with a good HNQ during adolescence. In contrast, among individuals with the l/l genotype, adolescent HNQ did not predict adulthood self-esteem. Genes may moderate the effect of adolescent environmental conditions on adulthood self-esteem. PMID:22659377

  7. A new case of UDP-galactose transporter deficiency (SLC35A2-CDG): molecular basis, clinical phenotype, and therapeutic approach.

    PubMed

    Dörre, K; Olczak, M; Wada, Y; Sosicka, P; Grüneberg, M; Reunert, J; Kurlemann, G; Fiedler, B; Biskup, S; Hörtnagel, K; Rust, S; Marquardt, T

    2015-09-01

    Congenital disorders of glycosylation (CDG) are a group of hereditary metabolic diseases characterized by abnormal glycosylation of proteins and lipids. Often, multisystem disorders with central nervous system involvement and a large variety of clinical symptoms occur. The main characteristics are developmental delay, seizures, and ataxia. In this paper we report the clinical and biochemical characteristics of a 5-year-old girl with a defective galactosylation of N-glycans, resulting in developmental delay, muscular hypotonia, epileptic seizures, inverted nipples, and visual impairment. Next generation sequencing revealed a de novo mutation (c.797G > T, p.G266V) in the X-chromosomal gene SLC35A2 (solute carrier family 35, UDP-galactose transporter, member A2; MIM 300896). While this mutation was found heterozygous, random X-inactivation of the normal allele will lead to loss of normal SLC35A2 activity in respective cells. The functional relevance of the mutation was demonstrated by complementation of UGT-deficient MDCK-RCA(r) and CHO-Lec8 cells by normal UGT-expression construct but not by the mutant version. The effect of dietary galactose supplementation on glycosylation was investigated, showing a nearly complete normalization of transferrin glycosylation. PMID:25778940

  8. Nucleocytoplasmic transport of macromolecules.

    PubMed Central

    Corbett, A H; Silver, P A

    1997-01-01

    Nucleocytoplasmic transport is a complex process that consists of the movement of numerous macromolecules back and forth across the nuclear envelope. All macromolecules that move in and out of the nucleus do so via nuclear pore complexes that form large proteinaceous channels in the nuclear envelope. In addition to nuclear pores, nuclear transport of macromolecules requires a number of soluble factors that are found both in the cytoplasm and in the nucleus. A combination of biochemical, genetic, and cell biological approaches have been used to identify and characterize the various components of the nuclear transport machinery. Recent studies have shown that both import to and export from the nucleus are mediated by signals found within the transport substrates. Several studies have demonstrated that these signals are recognized by soluble factors that target these substrates to the nuclear pore. Once substrates have been directed to the pore, most transport events depend on a cycle of GTP hydrolysis mediated by the small Ras-like GTPase, Ran, as well as other proteins that regulate the guanine nucleotide-bound state of Ran. Many of the essential factors have been identified, and the challenge that remains is to determine the exact mechanism by which transport occurs. This review attempts to present an integrated view of our current understanding of nuclear transport while highlighting the contributions that have been made through studies with genetic organisms such as the budding yeast, Saccharomyces cerevisiae. PMID:9184010

  9. Motion-base simulator study of control of an externally blown flap STOL transport aircraft after failure of an outboard engine during landing approach

    NASA Technical Reports Server (NTRS)

    Middleton, D. B.; Hurt, G. J., Jr.; Bergeron, H. P.; Patton, J. M., Jr.; Deal, P. L.; Champine, R. A.

    1975-01-01

    A moving-base simulator investigation of the problems of recovery and landing of a STOL aircraft after failure of an outboard engine during final approach was made. The approaches were made at 75 knots along a 6 deg glide slope. The engine was failed at low altitude and the option to go around was not allowed. The aircraft was simulated with each of three control systems, and it had four high-bypass-ratio fan-jet engines exhausting against large triple-slotted wing flaps to produce additional lift. A virtual-image out-the-window television display of a simulated STOL airport was operating during part of the investigation. Also, a simple heads-up flight director display superimposed on the airport landing scene was used by the pilots to make some of the recoveries following an engine failure. The results of the study indicated that the variation in visual cues and/or motion cues had little effect on the outcome of a recovery, but they did have some effect on the pilot's response and control patterns.

  10. Transportation Sector Module - NEMS Documentation

    EIA Publications

    2014-01-01

    Documents the objectives, analytical approach and development of the National Energy Modeling System (NEMS) Transportation Model (TRAN). The report catalogues and describes the model assumptions, computational methodology, parameter estimation techniques, model source code, and forecast results generated by the model.

  11. U.S. onroad transportation CO2 emissions analysis comparing highly resolved CO2 emissions and a national average approach : mitigation options and uncertainty reductions

    NASA Astrophysics Data System (ADS)

    Mendoza, D. L.; Gurney, K. R.

    2011-12-01

    The transportation sector is the second largest CO2 emitting economic sector in the United States, accounting for 32.3% of the total U.S. emissions in 2002. Within the transportation sector, the largest component (80%) is made up of onroad emissions. In order to accurately quantify future emissions and evaluate emissions regulation strategies, analysis must account for spatially-explicit fleet distribution, driving patterns, and mitigation strategies. Studies to date, however, have either focused on one of these three components, have been only completed at the national scale, or have not explicitly represented CO2 emissions instead relying on the use of vehicle miles traveled (VMT) as an emissions proxy. We compare a high resolution onroad emissions data product (Vulcan) to a national averaging of the Vulcan result. This comparison is performed in four groupings: light duty (LD) and heavy duty (HD) vehicle classes, and rural and urban road classes. Two different bias metrics are studied: 1) the state-specific, group-specific bias and 2) the same bias when weighted by the state share of the national group-specific emissions. In the first metric, we find a spread of positive and negative biases for the LD and HD vehicle groupings and these biases are driven by states having a greater/lesser proportion of LD/HD vehicles within their total state fleet than found from a national average. The standard deviation of these biases is 2.01% and 0.75% for the LD and HD groupings, respectively. These biases correlate with the road type present in a state, so that biases found in the urban and LD groups are both positive or both negative, with a similar relationship found between biases of the rural and HD groups. Additionally, the road group bias is driven by the distribution of VMT on individual road classes within the road groupings. When normalized by national totals, the state-level group-specific biases reflect states with large amounts of onroad travel that deviate

  12. Solid microparticles based on chitosan or methyl-β-cyclodextrin: a first formulative approach to increase the nose-to-brain transport of deferoxamine mesylate.

    PubMed

    Rassu, Giovanna; Soddu, Elena; Cossu, Massimo; Brundu, Antonio; Cerri, Guido; Marchetti, Nicola; Ferraro, Luca; Regan, Raymond F; Giunchedi, Paolo; Gavini, Elisabetta; Dalpiaz, Alessandro

    2015-03-10

    We propose the formulation and characterization of solid microparticles as nasal drug delivery systems able to increase the nose-to-brain transport of deferoxamine mesylate (DFO), a neuroprotector unable to cross the blood brain barrier and inducing negative peripheral impacts. Spherical chitosan chloride and methyl-β-cyclodextrin microparticles loaded with DFO (DCH and MCD, respectively) were obtained by spray drying. Their volume-surface diameters ranged from 1.77 ± 0.06 μm (DCH) to 3.47 ± 0.05 μm (MCD); the aerodynamic diameters were about 1.1 μm and their drug content was about 30%. In comparison with DCH, MCD enhanced the in vitro DFO permeation across lipophilic membranes, similarly as shown by ex vivo permeation studies across porcine nasal mucosa. Moreover, MCD were able to promote the DFO permeation across monolayers of PC 12 cells (neuron-like), but like DCH, it did not modify the DFO permeation pattern across Caco-2 monolayers (epithelial-like). Nasal administration to rats of 200 μg DFO encapsulated in the microparticles resulted in its uptake into the cerebrospinal fluid (CSF) with peak values ranging from 3.83 ± 0.68 μg/mL (DCH) to 14.37 ± 1.69 μg/mL (MCD) 30 min after insufflation of microparticles. No drug CSF uptake was detected after nasal administration of a DFO water solution. The DFO systemic absolute bioavailabilities obtained by DCH and MCD nasal administration were 6% and 15%, respectively. Chitosan chloride and methyl-β-cyclodextrins appear therefore suitable to formulate solid microparticles able to promote the nose to brain uptake of DFO and to limit its systemic exposure. PMID:25620068

  13. Solid microparticles based on chitosan or methyl-β-cyclodextrin: a first formulative approach to increase the nose-to-brain transport of deferoxamine mesylate

    PubMed Central

    Rassu, Giovanna; Soddu, Elena; Cossu, Massimo; Brundu, Antonio; Cerri, Guido; Marchetti, Nicola; Ferraro, Luca; Regan, Raymond F.; Giunchedi, Paolo; Gavini, Elisabetta; Dalpiaz, Alessandro

    2015-01-01

    We propose the formulation and characterization of solid microparticles as nasal drug delivery systems able to increase the nose-to-brain transport of deferoxamine mesylate (DFO), a neuroprotector unable to cross the blood brain barrier and inducing negative peripheral impacts. Spherical chitosan chloride and methyl-β-cyclodextrin microparticles loaded with DFO (DCH and MCD, respectively) were obtained by spray drying. Their volume-surface diameters ranged from 1.77 ± 0.06 μm (DCH) to 3.47 ± 0.05 μm (MCD); the aerodynamic diameters were about 1.1 μm and their drug content was about 30%. In comparison with DCH, MCD enhanced the in vitro DFO permeation across lipophilic membranes, similarly as shown by ex vivo permeation studies across porcine nasal mucosa. Moreover, MCD were able to promote the DFO permeation across monolayers of PC 12 cells (neuron like), but like DCH did not modify the DFO permeation pattern across Caco-2 monolayers (epithelial like). Nasal administration to rats of 200 μg DFO encapsulated in the microparticles resulted in its uptake into the cerebrospinal fluid (CSF) with peak values ranging from 3.83 ± 0.68 μg/mL (DCH) and 14.37 ± 1.69 μg/mL (MCD) 30 min after insufflation of microparticles. No drug CSF uptake was detected after nasal administration of a DFO water solution. The DFO systemic absolute bioavailabilities obtained by DCH and MCD nasal administration were 6% and 15%, respectively. Chitosan chloride and methyl-β-cyclodextrins appear therefore suitable to formulate solid microparticles able to promote the nose to brain uptake of DFO and to limit its systemic exposure. PMID:25620068

  14. A Sensitivity-Based Approach to Quantifying the Costs of Weather and Climate Impacts: A Case Study of the Southern Pennsylvania Transportation Authority Adaptation Pilot Project

    NASA Astrophysics Data System (ADS)

    Casola, J.; Johanson, E.; Groth, P.; Snow, C.; Choate, A.

    2012-12-01

    Southeastern Pennsylvania Transportation Authority (SEPTA), with support from the Federal Transit Administration, has been investigating its agency's vulnerability to weather-related disruption and damages as a way to inform an overall adaptation strategy for climate variability and change. Exploiting daily rail service records maintained by SEPTA and observations from nearby weather stations, we have developed a methodology for quantifying the sensitivity of SEPTA's Manayunk/Norristown rail line to various weather events (e.g., snow storms, heat waves, heavy rainfall and flooding, tropical storms). For each type of event, sensitivity is equated to the frequency and extent of service disruptions associated with the event, and includes the identification of thresholds beyond which impacts are observed. In addition, we have estimated the monetary costs associated with repair and replacement of infrastructure following these events. Our results have facilitated discussions with SEPTA operational staff, who have outlined the institutional aspects of their preparation and response processes for these weather events. We envision the methodology as being useful for resource and infrastructure managers across the public and private sector, and potentially scalable to smaller or larger operations. There are several advantageous aspects of the method: 1) the quantification of sensitivity, and the coupling of that sensitivity to cost information, provides credible input to SEPTA decision-makers as they establish the priorities and level of investment associated with their adaptation actions for addressing extreme weather; 2) the method provides a conceptual foundation for estimating the magnitude, frequency, and costs of potential future impacts at a local scale, especially with regard to heat waves; 3) the sensitivity information serves as an excellent discussion tool, enabling further research and information gathering about institutional relationships and procedures. These

  15. School Transportation.

    ERIC Educational Resources Information Center

    Executive Educator, 1989

    1989-01-01

    A special report on school transportation covers the following topics: (1) a school bus safety update; (2) equipping school buses with motion detectors; (3) state training requirements for school bus drivers; (4) recruiting and retaining drivers; (5) regulations covering underground fuel-storage tanks; and (6) a transportation directory. (MLF)

  16. Transport Phenomena.

    ERIC Educational Resources Information Center

    McCready, Mark J.; Leighton, David T.

    1987-01-01

    Discusses the problems created in graduate chemical engineering programs when students enter with a wide diversity of understandings of transport phenomena. Describes a two-semester graduate transport course sequence at the University of Notre Dame which focuses on fluid mechanics and heat and mass transfer. (TW)

  17. A single molecule approach for measuring the transport properties and energetics of membrane proteins in heterogeneous planar bio-mimetic assemblies

    NASA Astrophysics Data System (ADS)

    Poudel, Kumud Raj

    proteins. This deliberate contrast was created in order to provide a complete outlook into the transport properties and energetics of these crucial biological components in planar, heterogeneous bio-mimetic assemblies.

  18. Low-energy cross-section calculations of single molecules by electron impact: a classical Monte Carlo transport approach with quantum mechanical description

    NASA Astrophysics Data System (ADS)

    Madsen, J. R.; Akabani, G.

    2014-05-01

    The present state of modeling radio-induced effects at the cellular level does not account for the microscopic inhomogeneity of the nucleus from the non-aqueous contents (i.e. proteins, DNA) by approximating the entire cellular nucleus as a homogenous medium of water. Charged particle track-structure calculations utilizing this approximation are therefore neglecting to account for approximately 30% of the molecular variation within the nucleus. To truly understand what happens when biological matter is irradiated, charged particle track-structure calculations need detailed knowledge of the secondary electron cascade, resulting from interactions with not only the primary biological component—water--but also the non-aqueous contents, down to very low energies. This paper presents our work on a generic approach for calculating low-energy interaction cross-sections between incident charged particles and individual molecules. The purpose of our work is to develop a self-consistent computational method for predicting molecule-specific interaction cross-sections, such as the component molecules of DNA and proteins (i.e. nucleotides and amino acids), in the very low-energy regime. These results would then be applied in a track-structure code and thereby reduce the homogenous water approximation. The present methodology—inspired by seeking a combination of the accuracy of quantum mechanics and the scalability, robustness, and flexibility of Monte Carlo methods—begins with the calculation of a solution to the many-body Schrödinger equation and proceeds to use Monte Carlo methods to calculate the perturbations in the internal electron field to determine the interaction processes, such as ionization and excitation. As a test of our model, the approach is applied to a water molecule in the same method as it would be applied to a nucleotide or amino acid and compared with the low-energy cross-sections from the GEANT4-DNA physics package of the Geant4 simulation toolkit

  19. Reexamining charmless B{yields}PV decays in the QCD factorization approach

    SciTech Connect

    Li Xinqiang; Yang Yadong

    2006-06-01

    Using the QCD factorization approach, we reexamine the two-body hadronic charmless B-meson decays to final states involving a pseudoscalar (P) and a vector (V) meson, with inclusion of the penguin contractions of spectator-scattering amplitudes induced by the b{yields}Dg*g* (where D=d or s, and g* denotes an off-shell gluon) transitions, which are of order {alpha}{sub s}{sup 2}. Their impacts on the CP-averaged branching ratios and CP-violating asymmetries are examined. We find that these higher order penguin contraction contributions have significant impacts on some specific decay modes. Since B{yields}{pi}K*, K{rho} decays involve the same electroweak physics as B{yields}{pi}K puzzles, we present a detailed analysis of these decays and find that the five R-ratios for the B{yields}{pi}K*, K{rho} system are in agreement with experimental data except for R({pi}K*). Generally, these new contributions are found to be important for penguin-dominated B{yields}PV decays.

  20. Superfield Approach to Nilpotent Symmetries of the Freedman-Townsend Model: Novel Features

    NASA Astrophysics Data System (ADS)

    Malik, R. P.

    2012-09-01

    We perform the Becchi-Rouet-Stora-Tyutin (BRST) analysis of the Freedman-Townsend (FT) model of topologically massive non-Abelian theory by exploiting its (1-form) Yang-Mills (YM) gauge transformations to show the existence of some novel features that are totally different from the results obtained in such a kind of consideration carried out for the dynamical non-Abelian 2-form theory. We tap here the potential and power of the augmented version of Bonora-Tonin's superfield approach to BRST formalism to derive the full set of off-shell nilpotent and absolutely anticommuting (anti-)BRST symmetry transformations where, in addition to the horizontality condition (HC), we are theoretically compelled to exploit the appropriate gauge-invariant restrictions (GIRs) on the (super)fields for the derivation of the appropriate symmetry transformations for all the relevant fields. We compare our key results with that of the other such attempt for the discussion of the present model within the framework of BRST formalism.

  1. Electron Transport Disturbances and Neurodegeneration: From Albert Szent-Györgyi's Concept (Szeged) till Novel Approaches to Boost Mitochondrial Bioenergetics

    PubMed Central

    Szalárdy, Levente; Zádori, Dénes; Klivényi, Péter; Toldi, József; Vécsei, László

    2015-01-01

    Impaired function of certain mitochondrial respiratory complexes has long been linked to the pathogenesis of chronic neurodegenerative disorders such as Parkinson's and Huntington's diseases. Furthermore, genetic alterations of mitochondrial genome or nuclear genes encoding proteins playing essential roles in maintaining proper mitochondrial function can lead to the development of severe systemic diseases associated with neurodegeneration and vacuolar myelinopathy. At present, all of these diseases lack effective disease modifying therapy. Following a brief commemoration of Professor Albert Szent-Györgyi, a Nobel Prize laureate who pioneered in the field of cellular respiration, antioxidant processes, and the roles of free radicals in health and disease, the present paper overviews the current knowledge on the involvement of mitochondrial dysfunction in central nervous system diseases associated with neurodegeneration including Parkinson's and Huntington's disease as well as mitochondrial encephalopathies. The review puts special focus on the involvement and the potential therapeutic relevance of peroxisome proliferator-activated receptor-gamma coactivator 1-alpha (PGC-1α), a nuclear-encoded master regulator of mitochondrial biogenesis and antioxidant responses in these disorders, the transcriptional activation of which may hold novel therapeutic value as a more system-based approach aiming to restore mitochondrial functions in neurodegenerative processes. PMID:26301042

  2. Impact of indium mole fraction on the quantum transport of ultra-scaled In x Ga1- x As double-gate Schottky MOSFET: tight-binding approach

    NASA Astrophysics Data System (ADS)

    Ahangari, Zahra

    2016-02-01

    This paper explores the impact of indium mole fraction on the electrical characteristic of In x Ga1- x As double-gate Schottky MOSFET (SBFET) in nanoscale regime. A 20-band sp 3 d 5 s * tight-binding formalism is applied to compute the bandstructure of ultra-thin body structure as a function of indium mole fraction. The injection velocity of carriers is increased as the indium mole fraction approaches to x = 1. Quantum confinement results in an increment of the effective Schottky barrier height especially for the increased values of indium mole fraction. The ultra-scaled In x Ga1- x As SBFET suffers from a low conduction band DOS in the Γ valley that results in serious degradation of the gate capacitance. The electrical characteristic of this device is considered by solving self-consistent 2D Schrődinger-Poisson equations based on non-equilibrium Green's function formalism. For channel thicknesses where the effect of quantum confinement on the gate capacitance is not dominant, shrinking the channel thickness besides increasing the indium mole fraction improves the electrical characteristic of the device. However, for the ultra-scaled structure, the indium mole fraction enhancement degrades the device performance due to the enhanced value of Schottky barrier height and low DOS.

  3. Adenosine transporters.

    PubMed

    Thorn, J A; Jarvis, S M

    1996-06-01

    1. In mammals, nucleoside transport is an important determinant of the pharmacokinetics, plasma and tissue concentration, disposition and in vivo biological activity of adenosine as well as nucleoside analogues used in antiviral and anticancer therapies. 2. Two broad types of adenosine transporter exist, facilitated-diffusion carriers and active processes driven by the transmembrane sodium gradient. 3. Facilitated-diffusion adenosine carriers may be sensitive (es) or insensitive (ei) to nanomolar concentrations of the transport inhibitor nitrobenzylthioinosine (NBMPR). Dipyridamole, dilazep and lidoflazine analogues are also more potent inhibitors of the es carrier than the ei transporter in cells other than those derived from rat tissues. 4. The es transporter has a broad substrate specificity (apparent Km for adenosine approximately 25 microM in many cells at 25 degrees C), is a glycoprotein with an average apparent Mr of 57,000 in human erythrocytes that has been purified to near homogeneity and may exist in situ as a dimer. However, there is increasing evidence to suggest the presence of isoforms of the es transporter in different cells and species, based on kinetic and molecular properties. 5. The ei transporter also has a broad substrate specificity with a lower affinity for some nucleoside permeants than the es carrier, is genetically distinct from es but little information exists as to the molecular properties of the protein. 6. Sodium-dependent adenosine transport is present in many cell types and catalysed by four distinct systems, N1-N4, distinguished by substrate specificity, sodium coupling and tissue distribution. 7. Two genes have been identified which encode sodium-dependent adenosine transport proteins, SNST1 from the sodium/glucose cotransporter (SGLT1) gene family and the rat intestinal N2 transporter (cNT1) from a novel gene family including a bacterial nucleoside carrier (NupC). Transcripts of cNT1, which encodes a 648-residue protein, are

  4. Smart vehicular transportation systems

    SciTech Connect

    Little, C.Q.; Wilson, C.W.

    1997-05-01

    This work builds upon established Sandia intelligent systems technology to develop a unique approach for the integration of intelligent system control into the US Highway and urban transportation systems. The Sandia developed concept of the COPILOT controller integrates a human driver with computer control to increase human performance while reducing reliance on detailed driver attention. This research extends Sandia expertise in sensor based, real-time control of robotics systems to high speed transportation systems. Knowledge in the form of maps and performance characteristics of vehicles provides the automatic decision making intelligence needed to plan optimum routes, maintain safe driving speeds and distances, avoid collisions, and conserve fuel.

  5. Molecular approaches to p- and n-nanoscale doping of Ge 1-ySn y semiconductors: Structural, electrical and transport properties

    NASA Astrophysics Data System (ADS)

    Xie, Junqi; Tolle, J.; D'Costa, V. R.; Weng, C.; Chizmeshya, A. V. G.; Menendez, J.; Kouvetakis, J.

    2009-08-01

    We report the development of practical doping protocols via designer molecular sources to create n- and p-type doped Ge 1-ySn y layers grown directly upon Si(1 0 0). These materials will have applications in the fabrication of advanced PIN devices that are intended to extend the infrared optical response beyond that of Ge by utilizing the Sn composition as an additional design parameter. Highly controlled and efficient n-doping of single-layer structures is achieved using custom built P(GeH 3) 3 and As(GeH 3) 3, precursors containing preformed Ge-As and Ge-P near-tetrahedral bonding arrangements compatible with the structure of the host Ge-Sn lattice. Facile substitution and complete activation of the P and As atoms at levels ˜10 17-10 19 cm -3 is obtained via in situ depositions at low temperatures (350 °C). Acceptor doping is readily achieved using conventional diborane yielding carrier concentrations between 10 17-10 19 cm -3 under similar growth conditions. Full activation of the as-grown dopant concentrations is demonstrated by combined SIMS and Hall experiments, and corroborated using a contactless spectroscopic ellipsometry approach. RTA processing of the samples leads to a significant increase in carrier mobility comparable to that of bulk Ge containing similar doping levels. The alloy scattering contribution appears to be negligible for electron carrier concentrations beyond 10 19 cm -3 in n-type samples and hole concentrations beyond 10 18 cm -3 in p-type samples. A comparative study using the classical lower-order hydrides PH 3 and AsH 3 produced n-doped films with carrier densities (up to 9 × 10 19 cm -3) similar to those afforded by P(GeH 3) 3 and As(GeH 3) 3. However, early results indicate that the simpler PH 3 and AsH 3 sources yield materials with inferior morphology and microstructure. Calculations of surface energetics using bond enthalpies suggest that the latter massive compounds bind to the surface via strong Ge-Ge bonds and likely act as

  6. Bedload transport in alluvial channels

    USGS Publications Warehouse

    Bravo-Espinosa, M.; Osterkamp, W.R.; Lopes, V.L.

    2003-01-01

    Hydraulic, sediment, land-use, and rock-erosivity data of 22 alluvial streams were used to evaluate conditions of bedload transport and the performance of selected bedload-transport equations. Transport categories of transport-limited (TL), partially transport-limited (PTL), and supply-limited (SL) were identified by a semiquantitative approach that considers hydraulic constraints on sediment movement and the processes that control sediment availability at the basin scale. Equations by Parker et al. in 1982, Schoklitsch in 1962, and Meyer-Peter and Muller in 1948 adequately predicted sediment transport in channels with TL condition, whereas the equations of Bagnold in 1980, and Schoklitsch, in 1962, performed well for PTL and SL conditions. Overall, the equation of Schoklitsch predicted well the measured bedload data for eight of 22 streams, and the Bagnold equation predicted the measured data in seven streams.

  7. Heat transport in nonuniform superconductors

    NASA Astrophysics Data System (ADS)

    Richard, Caroline; Vorontsov, Anton B.

    2016-08-01

    We calculate electronic energy transport in inhomogeneous superconductors using a fully self-consistent nonequilibrium quasiclassical Keldysh approach. We develop a general theory and apply it to a superconductor with an order parameter that forms domain walls of the type encountered in the Fulde-Ferrell-Larkin-Ovchinnikov state. The heat transport in the presence of a domain wall is inherently anisotropic and nonlocal. The bound states in the nonuniform region play a crucial role and control heat transport in several ways: (i) they modify the spectrum of quasiparticle states and result in Andreev reflection processes and (ii) they hybridize with the impurity band and produce a local transport environment with properties very different from those in a uniform superconductor. As a result of this interplay, heat transport becomes highly sensitive to temperature, magnetic field, and disorder. For strongly scattering impurities, we find that the transport across domain walls at low temperatures is considerably more efficient than in the uniform superconducting state.

  8. Antistrange meson-baryon interaction in hot and dense nuclear matter

    NASA Astrophysics Data System (ADS)

    Cabrera, D.; Tolós, L.; Aichelin, J.; Bratkovskaya, E.

    2014-11-01

    We present a study of in-medium cross sections and (off-shell) transition rates for the most relevant binary reactions for strange pseudoscalar meson production close to threshold in heavy-ion collisions at energies available at the Facility for Antiproton and Ion Research. Our results rely on a chiral unitary approach in coupled channels which incorporates the s and p waves of the kaon-nucleon interaction. The formalism, which is modified in the hot and dense medium to account for Pauli blocking effects, mean-field binding on baryons, and pion and kaon self-energies, has been improved to implement unitarization and self-consistency for both the s - and the p -wave interactions at finite temperature and density. This gives access to in-medium amplitudes in several elastic and inelastic coupled channels with strangeness content S =-1 . The obtained total cross sections mostly reflect the fate of the Λ (1405 ) resonance, which melts in the nuclear environment, whereas the off-shell transition probabilities are also sensitive to the in-medium properties of the hyperons excited in the p -wave amplitudes [Λ ,Σ , and Σ*(1385 ) ]. The single-particle potentials of these hyperons at finite momentum, density, and temperature are also discussed in connection with the pertinent scattering amplitudes. Our results are the basis for future implementations in microscopic transport approaches accounting for off-shell dynamics of strangeness production in nucleus-nucleus collisions.

  9. Gasificaton Transport: A Multiphase CFD Approach & Measurements

    SciTech Connect

    Dimitri Gidaspow; Veeraya Jiradilok; Mayank Kashyap; Benjapon Chalermsinsuwan

    2009-02-14

    The objective of this project was to develop predictive theories for the dispersion and mass transfer coefficients and to measure them in the turbulent fluidization regime, using existing facilities. A second objective was to use our multiphase CFD tools to suggest optimized gasifier designs consistent with aims of Future Gen. We have shown that the kinetic theory based CFD codes correctly compute: (1) Dispersion coefficients; and (2) Mass transfer coefficients. Hence, the kinetic theory based CFD codes can be used for fluidized bed reactor design without any such inputs. We have also suggested a new energy efficient method of gasifying coal and producing electricity using a molten carbonate fuel cell. The principal product of this new scheme is carbon dioxide which can be converted into useful products such as marble, as is done very slowly in nature. We believe this scheme is a lot better than the canceled FutureGen, since the carbon dioxide is safely sequestered.

  10. Membrane Transport

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The selective movement and redistribution of ions and small organic molecules is essential for plant growth and cellular homeostasis. Because of this, plants have evolved numerous proteins that facilitate the transport of minerals, sugars, metabolites, and other compounds through the limiting membra...

  11. Pupil Transportation.

    ERIC Educational Resources Information Center

    Bete, Tim, Ed.

    1998-01-01

    Presents the opinions of four transportation experts on issues related to school buses. The experts respond to the following questions: will advertisements placed on buses be used to generate district revenue; will compressed natural gas or liquefied natural gas become standard fuel for school buses; and will school bus seat belts be mandatory and…

  12. Manned transportation system study - Evaluation of candidate transportation architectures

    NASA Technical Reports Server (NTRS)

    Lance, Nicholas; Klemer, R.; Sooter, C.

    1992-01-01

    The overall evaluation process, the tool developed to perform the evaluation, and the evaluation results in determining the right approach to meet the nation's mannned transportation needs are presented. To address the various considerations, architecture sets consisting of the candidate transportation systems are constructed. As this methodology results in multiple architectures to examine, an architecture evaluation tool was developed to facilitate the evaluation of the architecture attribute values from the system values of the attributes.

  13. Charm production in Pb + Pb collisions at energies available at the CERN Large Hadron Collider