ABC Transporters Involved in Export of Cell Surface Glycoconjugates

PubMed Central

Cuthbertson, Leslie; Kos, Veronica; Whitfield, Chris

2010-01-01

Summary: Complex glycoconjugates play critical roles in the biology of microorganisms. Despite the remarkable diversity in glycan structures and the bacteria that produce them, conserved themes are evident in the biosynthesis-export pathways. One of the primary pathways involves representatives of the ATP-binding cassette (ABC) transporter superfamily. These proteins are responsible for the export of a wide variety of cell surface oligo- and polysaccharides in both Gram-positive and Gram-negative bacteria. Recent investigations of the structure and function of ABC transporters involved in the export of lipopolysaccharide O antigens have revealed two fundamentally different strategies for coupling glycan polymerization to export. These mechanisms are distinguished by the presence (or absence) of characteristic nonreducing terminal modifications on the export substrates, which serve as chain termination and/or export signals, and by the presence (or absence) of a discrete substrate-binding domain in the nucleotide-binding domain polypeptide of the ABC transporter. A bioinformatic survey examining ABC exporters from known oligo- and polysaccharide biosynthesis loci identifies conserved nucleotide-binding domain protein families that correlate well with themes in the structures and assembly of glycans. The familial relationships among the ABC exporters generate hypotheses concerning the biosynthesis of structurally diverse oligo- and polysaccharides, which play important roles in the biology of bacteria with different lifestyles. PMID:20805402

5 CFR 572.102 - Agency discretion.

Code of Federal Regulations, 2010 CFR

2010-01-01

... TRANSPORTATION EXPENSES; NEW APPOINTEES AND INTERVIEWS § 572.102 Agency discretion. Payment of travel expenses... and transportation or interview expenses in filling any position, the agency should consider such factors as availability of funds as well as the desirability of conducting interviews for a particular job...

A stochastic discrete optimization model for designing container terminal facilities

NASA Astrophysics Data System (ADS)

Zukhruf, Febri; Frazila, Russ Bona; Burhani, Jzolanda Tsavalista

2017-11-01

As uncertainty essentially affect the total transportation cost, it remains important in the container terminal that incorporates several modes and transshipments process. This paper then presents a stochastic discrete optimization model for designing the container terminal, which involves the decision of facilities improvement action. The container terminal operation model is constructed by accounting the variation of demand and facilities performance. In addition, for illustrating the conflicting issue that practically raises in the terminal operation, the model also takes into account the possible increment delay of facilities due to the increasing number of equipment, especially the container truck. Those variations expectantly reflect the uncertainty issue in the container terminal operation. A Monte Carlo simulation is invoked to propagate the variations by following the observed distribution. The problem is constructed within the framework of the combinatorial optimization problem for investigating the optimal decision of facilities improvement. A new variant of glow-worm swarm optimization (GSO) is thus proposed for solving the optimization, which is rarely explored in the transportation field. The model applicability is tested by considering the actual characteristics of the container terminal.

Quadratic Finite Element Method for 1D Deterministic Transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tolar, Jr., D R; Ferguson, J M

2004-01-06

In the discrete ordinates, or SN, numerical solution of the transport equation, both the spatial ({und r}) and angular ({und {Omega}}) dependences on the angular flux {psi}{und r},{und {Omega}}are modeled discretely. While significant effort has been devoted toward improving the spatial discretization of the angular flux, we focus on improving the angular discretization of {psi}{und r},{und {Omega}}. Specifically, we employ a Petrov-Galerkin quadratic finite element approximation for the differencing of the angular variable ({mu}) in developing the one-dimensional (1D) spherical geometry S{sub N} equations. We develop an algorithm that shows faster convergence with angular resolution than conventional S{sub N} algorithms.

3D unstructured-mesh radiation transport codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morel, J.

1997-12-31

Three unstructured-mesh radiation transport codes are currently being developed at Los Alamos National Laboratory. The first code is ATTILA, which uses an unstructured tetrahedral mesh in conjunction with standard Sn (discrete-ordinates) angular discretization, standard multigroup energy discretization, and linear-discontinuous spatial differencing. ATTILA solves the standard first-order form of the transport equation using source iteration in conjunction with diffusion-synthetic acceleration of the within-group source iterations. DANTE is designed to run primarily on workstations. The second code is DANTE, which uses a hybrid finite-element mesh consisting of arbitrary combinations of hexahedra, wedges, pyramids, and tetrahedra. DANTE solves several second-order self-adjoint forms of the transport equation including the even-parity equation, the odd-parity equation, and a new equation called the self-adjoint angular flux equation. DANTE also offers three angular discretization options:more » $$S{_}n$$ (discrete-ordinates), $$P{_}n$$ (spherical harmonics), and $$SP{_}n$$ (simplified spherical harmonics). DANTE is designed to run primarily on massively parallel message-passing machines, such as the ASCI-Blue machines at LANL and LLNL. The third code is PERICLES, which uses the same hybrid finite-element mesh as DANTE, but solves the standard first-order form of the transport equation rather than a second-order self-adjoint form. DANTE uses a standard $$S{_}n$$ discretization in angle in conjunction with trilinear-discontinuous spatial differencing, and diffusion-synthetic acceleration of the within-group source iterations. PERICLES was initially designed to run on workstations, but a version for massively parallel message-passing machines will be built. The three codes will be described in detail and computational results will be presented.« less

Particle and Fields Observations Associated with Discrete Aurora at Mars: A Dual Spacecraft Perspective Using MAVEN and MEX

NASA Astrophysics Data System (ADS)

Soobiah, Y. I. J.; Espley, J. R.; Connerney, J. E. P.; Gruesbeck, J.; DiBraccio, G. A.; Schneider, N. M.; Jain, S.; Mitchell, D. L.; Mazelle, C. X.; Halekas, J. S.; Andersson, L.; Brain, D.; Lillis, R. J.; McFadden, J. P.; Deighan, J.; McClintock, B.; Jakosky, B. M.; Frahm, R.; Winningham, D.; Coates, A. J.; Holmstrom, M.

2017-12-01

NASA's Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft has observed a variety of distinct auroral types at Mars and related processes relevant to the escape of the Martian atmosphere. MAVEN's Imaging Ultraviolet Spectrograph (IUVS) instrument has measured 1) diffuse aurora over widespread regions of Mars' northern hemisphere, 2) discrete aurora spatially confined to localized patches around regions of strong crustal magnetic field and 3) proton aurora from limb brightening of Lyman-α emission. The processes involved in the occurrence of discrete aurora at Mars are not yet well understood. This study presents MAVEN IUVS and Particle and Fields Package (PFP) observations of contemporaneous particle and field signatures and discrete aurora at Mars. Discrete aurora observed in limb scans occur in association with patches of electrons in the optical shadow of Mars. The electron signatures display a range of field aligned (toward Mars) electron energy spectra, from electrons that are not accelerated (sometimes including photoelectron peaks) to accelerated electrons. These are observed in association with a range of magnetic field orientations, from horizontal to radial magnetic field directions. Observations obtained at low altitude over the nightside by MAVEN and the more distant Mars Express' (MEX) Analyzer of Space Plasma and Energetic Atoms (ASPERA-3) are compared to investigate transport of electrons from plasma sheet and `inverted-V' electron signatures from the magnetotail to low altitudes.

Understanding transporter specificity and the discrete appearance of channel-like gating domains in transporters

PubMed Central

Diallinas, George

2014-01-01

Transporters are ubiquitous proteins mediating the translocation of solutes across cell membranes, a biological process involved in nutrition, signaling, neurotransmission, cell communication and drug uptake or efflux. Similarly to enzymes, most transporters have a single substrate binding-site and thus their activity follows Michaelis-Menten kinetics. Substrate binding elicits a series of structural changes, which produce a transporter conformer open toward the side opposite to the one from where the substrate was originally bound. This mechanism, involving alternate outward- and inward-facing transporter conformers, has gained significant support from structural, genetic, biochemical and biophysical approaches. Most transporters are specific for a given substrate or a group of substrates with similar chemical structure, but substrate specificity and/or affinity can vary dramatically, even among members of a transporter family that show high overall amino acid sequence and structural similarity. The current view is that transporter substrate affinity or specificity is determined by a small number of interactions a given solute can make within a specific binding site. However, genetic, biochemical and in silico modeling studies with the purine transporter UapA of the filamentous ascomycete Aspergillus nidulans have challenged this dogma. This review highlights results leading to a novel concept, stating that substrate specificity, but also transport kinetics and transporter turnover, are determined by subtle intramolecular interactions between a major substrate binding site and independent outward- or cytoplasmically-facing gating domains, analogous to those present in channels. This concept is supported by recent structural evidence from several, phylogenetically and functionally distinct transporter families. The significance of this concept is discussed in relationship to the role and potential exploitation of transporters in drug action. PMID:25309439

Development of Proportional Reasoning: Where Young Children Go Wrong

PubMed Central

Boyer, Ty W.; Levine, Susan C.; Huttenlocher, Janellen

2008-01-01

Previous studies have found that children have difficulty solving proportional reasoning problems involving discrete units until 10- to 12-years of age, but can solve parallel problems involving continuous quantities by 6-years of age. The present studies examine where children go wrong in processing proportions that involve discrete quantities. A computerized proportional equivalence choice task was administered to kindergartners through fourth-graders in Study 1, and to first- and third-graders in Study 2. Both studies involved four between-subjects conditions that were formed by pairing continuous and discrete target proportions with continuous and discrete choice alternatives. In Study 1, target and choice alternatives were presented simultaneously and in Study 2 target and choice alternatives were presented sequentially. In both studies, children performed significantly worse when both the target and choice alternatives were represented with discrete quantities than when either or both of the proportions involved continuous quantities. Taken together, these findings indicate that children go astray on proportional reasoning problems involving discrete units only when a numerical match is possible, suggesting that their difficulty is due to an overextension of numerical equivalence concepts to proportional equivalence problems. PMID:18793078

A Numerical Investigation of the Extinction of Low Strain Rate Diffusion Flames by an Agent in Microgravity

NASA Technical Reports Server (NTRS)

Puri, Ishwar K.

2004-01-01

Our goal has been to investigate the influence of both dilution and radiation on the extinction process of nonpremixed flames at low strain rates. Simulations have been performed by using a counterflow code and three radiation models have been included in it, namely, the optically thin, the narrowband, and discrete ordinate models. The counterflow flame code OPPDIFF was modified to account for heat transfer losses by radiation from the hot gases. The discrete ordinate method (DOM) approximation was first suggested by Chandrasekhar for solving problems in interstellar atmospheres. Carlson and Lathrop developed the method for solving multi-dimensional problem in neutron transport. Only recently has the method received attention in the field of heat transfer. Due to the applicability of the discrete ordinate method for thermal radiation problems involving flames, the narrowband code RADCAL was modified to calculate the radiative properties of the gases. A non-premixed counterflow flame was simulated with the discrete ordinate method for radiative emissions. In comparison with two other models, it was found that the heat losses were comparable with the optically thin and simple narrowband model. The optically thin model had the highest heat losses followed by the DOM model and the narrow-band model.

Reduced discretization error in HZETRN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Slaba, Tony C., E-mail: Tony.C.Slaba@nasa.gov; Blattnig, Steve R., E-mail: Steve.R.Blattnig@nasa.gov; Tweed, John, E-mail: jtweed@odu.edu

2013-02-01

The deterministic particle transport code HZETRN is an efficient analysis tool for studying the effects of space radiation on humans, electronics, and shielding materials. In a previous work, numerical methods in the code were reviewed, and new methods were developed that further improved efficiency and reduced overall discretization error. It was also shown that the remaining discretization error could be attributed to low energy light ions (A < 4) with residual ranges smaller than the physical step-size taken by the code. Accurately resolving the spectrum of low energy light particles is important in assessing risk associated with astronaut radiation exposure.more » In this work, modifications to the light particle transport formalism are presented that accurately resolve the spectrum of low energy light ion target fragments. The modified formalism is shown to significantly reduce overall discretization error and allows a physical approximation to be removed. For typical step-sizes and energy grids used in HZETRN, discretization errors for the revised light particle transport algorithms are shown to be less than 4% for aluminum and water shielding thicknesses as large as 100 g/cm{sup 2} exposed to both solar particle event and galactic cosmic ray environments.« less

A novel upwind stabilized discontinuous finite element angular framework for deterministic dose calculations in magnetic fields.

PubMed

Yang, R; Zelyak, O; Fallone, B G; St-Aubin, J

2018-01-30

Angular discretization impacts nearly every aspect of a deterministic solution to the linear Boltzmann transport equation, especially in the presence of magnetic fields, as modeled by a streaming operator in angle. In this work a novel stabilization treatment of the magnetic field term is developed for an angular finite element discretization on the unit sphere, specifically involving piecewise partitioning of path integrals along curved element edges into uninterrupted segments of incoming and outgoing flux, with outgoing components updated iteratively. Correct order-of-accuracy for this angular framework is verified using the method of manufactured solutions for linear, quadratic, and cubic basis functions in angle. Higher order basis functions were found to reduce the error especially in strong magnetic fields and low density media. We combine an angular finite element mesh respecting octant boundaries on the unit sphere to spatial Cartesian voxel elements to guarantee an unambiguous transport sweep ordering in space. Accuracy for a dosimetrically challenging scenario involving bone and air in the presence of a 1.5 T parallel magnetic field is validated against the Monte Carlo package GEANT4. Accuracy and relative computational efficiency were investigated for various angular discretization parameters. 32 angular elements with quadratic basis functions yielded a reasonable compromise, with gamma passing rates of 99.96% (96.22%) for a 2%/2 mm (1%/1 mm) criterion. A rotational transformation of the spatial calculation geometry is performed to orient an arbitrary magnetic field vector to be along the z-axis, a requirement for a constant azimuthal angular sweep ordering. Working on the unit sphere, we apply the same rotational transformation to the angular domain to align its octants with the rotated Cartesian mesh. Simulating an oblique 1.5 T magnetic field against GEANT4 yielded gamma passing rates of 99.42% (95.45%) for a 2%/2 mm (1%/1 mm) criterion.

A novel upwind stabilized discontinuous finite element angular framework for deterministic dose calculations in magnetic fields

NASA Astrophysics Data System (ADS)

Yang, R.; Zelyak, O.; Fallone, B. G.; St-Aubin, J.

2018-02-01

Angular discretization impacts nearly every aspect of a deterministic solution to the linear Boltzmann transport equation, especially in the presence of magnetic fields, as modeled by a streaming operator in angle. In this work a novel stabilization treatment of the magnetic field term is developed for an angular finite element discretization on the unit sphere, specifically involving piecewise partitioning of path integrals along curved element edges into uninterrupted segments of incoming and outgoing flux, with outgoing components updated iteratively. Correct order-of-accuracy for this angular framework is verified using the method of manufactured solutions for linear, quadratic, and cubic basis functions in angle. Higher order basis functions were found to reduce the error especially in strong magnetic fields and low density media. We combine an angular finite element mesh respecting octant boundaries on the unit sphere to spatial Cartesian voxel elements to guarantee an unambiguous transport sweep ordering in space. Accuracy for a dosimetrically challenging scenario involving bone and air in the presence of a 1.5 T parallel magnetic field is validated against the Monte Carlo package GEANT4. Accuracy and relative computational efficiency were investigated for various angular discretization parameters. 32 angular elements with quadratic basis functions yielded a reasonable compromise, with gamma passing rates of 99.96% (96.22%) for a 2%/2 mm (1%/1 mm) criterion. A rotational transformation of the spatial calculation geometry is performed to orient an arbitrary magnetic field vector to be along the z-axis, a requirement for a constant azimuthal angular sweep ordering. Working on the unit sphere, we apply the same rotational transformation to the angular domain to align its octants with the rotated Cartesian mesh. Simulating an oblique 1.5 T magnetic field against GEANT4 yielded gamma passing rates of 99.42% (95.45%) for a 2%/2 mm (1%/1 mm) criterion.

Numerical simulation of freshwater/seawater interaction in a dual-permeability karst system with conduits: the development of discrete-continuum VDFST-CFP model

NASA Astrophysics Data System (ADS)

Xu, Zexuan; Hu, Bill

2016-04-01

Dual-permeability karst aquifers of porous media and conduit networks with significant different hydrological characteristics are widely distributed in the world. Discrete-continuum numerical models, such as MODFLOW-CFP and CFPv2, have been verified as appropriate approaches to simulate groundwater flow and solute transport in numerical modeling of karst hydrogeology. On the other hand, seawater intrusion associated with fresh groundwater resources contamination has been observed and investigated in numbers of coastal aquifers, especially under conditions of sea level rise. Density-dependent numerical models including SEAWAT are able to quantitatively evaluate the seawater/freshwater interaction processes. A numerical model of variable-density flow and solute transport - conduit flow process (VDFST-CFP) is developed to provide a better description of seawater intrusion and submarine groundwater discharge in a coastal karst aquifer with conduits. The coupling discrete-continuum VDFST-CFP model applies Darcy-Weisbach equation to simulate non-laminar groundwater flow in the conduit system in which is conceptualized and discretized as pipes, while Darcy equation is still used in continuum porous media. Density-dependent groundwater flow and solute transport equations with appropriate density terms in both conduit and porous media systems are derived and numerically solved using standard finite difference method with an implicit iteration procedure. Synthetic horizontal and vertical benchmarks are created to validate the newly developed VDFST-CFP model by comparing with other numerical models such as variable density SEAWAT, couplings of constant density groundwater flow and solute transport MODFLOW/MT3DMS and discrete-continuum CFPv2/UMT3D models. VDFST-CFP model improves the simulation of density dependent seawater/freshwater mixing processes and exchanges between conduit and matrix. Continuum numerical models greatly overestimated the flow rate under turbulent flow condition but discrete-continuum models provide more accurate results. Parameters sensitivities analysis indicates that conduit diameter and friction factor, matrix hydraulic conductivity and porosity are important parameters that significantly affect variable-density flow and solute transport simulation. The pros and cons of model assumptions, conceptual simplifications and numerical techniques in VDFST-CFP are discussed. In general, the development of VDFST-CFP model is an innovation in numerical modeling methodology and could be applied to quantitatively evaluate the seawater/freshwater interaction in coastal karst aquifers. Keywords: Discrete-continuum numerical model; Variable density flow and transport; Coastal karst aquifer; Non-laminar flow

Direct Discrete Method for Neutronic Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vosoughi, Naser; Akbar Salehi, Ali; Shahriari, Majid

The objective of this paper is to introduce a new direct method for neutronic calculations. This method which is named Direct Discrete Method, is simpler than the neutron Transport equation and also more compatible with physical meaning of problems. This method is based on physic of problem and with meshing of the desired geometry, writing the balance equation for each mesh intervals and with notice to the conjunction between these mesh intervals, produce the final discrete equations series without production of neutron transport differential equation and mandatory passing from differential equation bridge. We have produced neutron discrete equations for amore » cylindrical shape with two boundary conditions in one group energy. The correction of the results from this method are tested with MCNP-4B code execution. (authors)« less

Striatal dopamine neurotransmission: regulation of release and uptake

PubMed Central

Sulzer, David; Cragg, Stephanie J.; Rice, Margaret E.

2016-01-01

Dopamine (DA) transmission is governed by processes that regulate release from axonal boutons in the forebrain and the somatodendritic compartment in midbrain, and by clearance by the DA transporter, diffusion, and extracellular metabolism. We review how axonal DA release is regulated by neuronal activity and by autoreceptors and heteroreceptors, and address how quantal release events are regulated in size and frequency. In brain regions densely innervated by DA axons, DA clearance is due predominantly to uptake by the DA transporter, whereas in cortex, midbrain, and other regions with relatively sparse DA inputs, the norepinephrine transporter and diffusion are involved. We discuss the role of DA uptake in restricting the sphere of influence of DA and in temporal accumulation of extracellular DA levels upon successive action potentials. The tonic discharge activity of DA neurons may be translated into a tonic extracellular DA level, whereas their bursting activity can generate discrete extracellular DA transients. PMID:27141430

Multilevel acceleration of scattering-source iterations with application to electron transport

DOE PAGES

Drumm, Clif; Fan, Wesley

2017-08-18

Acceleration/preconditioning strategies available in the SCEPTRE radiation transport code are described. A flexible transport synthetic acceleration (TSA) algorithm that uses a low-order discrete-ordinates (S N) or spherical-harmonics (P N) solve to accelerate convergence of a high-order S N source-iteration (SI) solve is described. Convergence of the low-order solves can be further accelerated by applying off-the-shelf incomplete-factorization or algebraic-multigrid methods. Also available is an algorithm that uses a generalized minimum residual (GMRES) iterative method rather than SI for convergence, using a parallel sweep-based solver to build up a Krylov subspace. TSA has been applied as a preconditioner to accelerate the convergencemore » of the GMRES iterations. The methods are applied to several problems involving electron transport and problems with artificial cross sections with large scattering ratios. These methods were compared and evaluated by considering material discontinuities and scattering anisotropy. Observed accelerations obtained are highly problem dependent, but speedup factors around 10 have been observed in typical applications.« less

A multichannel model for the self-consistent analysis of coherent transport in graphene nanoribbons.

PubMed

Mencarelli, Davide; Pierantoni, Luca; Farina, Marco; Di Donato, Andrea; Rozzi, Tullio

2011-08-23

In this contribution, we analyze the multichannel coherent transport in graphene nanoribbons (GNRs) by a scattering matrix approach. We consider the transport properties of GNR devices of a very general form, involving multiple bands and multiple leads. The 2D quantum transport over the whole GNR surface, described by the Schrödinger equation, is strongly nonlinear as it implies calculation of self-generated and externally applied electrostatic potentials, solutions of the 3D Poisson equation. The surface charge density is computed as a balance of carriers traveling through the channel at all of the allowed energies. Moreover, formation of bound charges corresponding to a discrete modal spectrum is observed and included in the model. We provide simulation examples by considering GNR configurations typical for transistor devices and GNR protrusions that find an interesting application as cold cathodes for X-ray generation. With reference to the latter case, a unified model is required in order to couple charge transport and charge emission. However, to a first approximation, these could be considered as independent problems, as in the example. © 2011 American Chemical Society

Exact solutions of the population balance equation including particle transport, using group analysis

NASA Astrophysics Data System (ADS)

Lin, Fubiao; Meleshko, Sergey V.; Flood, Adrian E.

2018-06-01

The population balance equation (PBE) has received an unprecedented amount of attention in recent years from both academics and industrial practitioners because of its long history, widespread use in engineering, and applicability to a wide variety of particulate and discrete-phase processes. However it is typically impossible to obtain analytical solutions, although in almost every case a numerical solution of the PBEs can be obtained. In this article, the symmetries of PBEs with homogeneous coagulation kernels involving aggregation, breakage and growth processes and particle transport in one dimension are found by direct solving the determining equations. Using the optimal system of one and two-dimensional subalgebras, all invariant solutions and reduced equations are obtained. In particular, an explicit analytical physical solution is also presented.

Flexible funding opportunities for transportation investments

DOT National Transportation Integrated Search

1996-01-01

The Intermodal Surface Transportation Efficiency Act of 1991 (ISTEA) broke significant ground in giving State and local : decisionmakers greater discretion in the use of Federal transportation dollars. In particular, ISTEAs flexible fund : program...

Hydro-mechanical model for wetting/drying and fracture development in geomaterials

DOE PAGES

Asahina, D.; Houseworth, J. E.; Birkholzer, J. T.; ...

2013-12-28

This study presents a modeling approach for studying hydro-mechanical coupled processes, including fracture development, within geological formations. This is accomplished through the novel linking of two codes: TOUGH2, which is a widely used simulator of subsurface multiphase flow based on the finite volume method; and an implementation of the Rigid-Body-Spring Network (RBSN) method, which provides a discrete (lattice) representation of material elasticity and fracture development. The modeling approach is facilitated by a Voronoi-based discretization technique, capable of representing discrete fracture networks. The TOUGH–RBSN simulator is intended to predict fracture evolution, as well as mass transport through permeable media, under dynamicallymore » changing hydrologic and mechanical conditions. Numerical results are compared with those of two independent studies involving hydro-mechanical coupling: (1) numerical modeling of swelling stress development in bentonite; and (2) experimental study of desiccation cracking in a mining waste. The comparisons show good agreement with respect to moisture content, stress development with changes in pore pressure, and time to crack initiation. Finally, the observed relationship between material thickness and crack patterns (e.g., mean spacing of cracks) is captured by the proposed modeling approach.« less

Smoothed Particle Hydrodynamics and its applications for multiphase flow and reactive transport in porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tartakovsky, Alexandre M.; Trask, Nathaniel; Pan, K.

2016-03-11

Smoothed Particle Hydrodynamics (SPH) is a Lagrangian method based on a meshless discretization of partial differential equations. In this review, we present SPH discretization of the Navier-Stokes and Advection-Diffusion-Reaction equations, implementation of various boundary conditions, and time integration of the SPH equations, and we discuss applications of the SPH method for modeling pore-scale multiphase flows and reactive transport in porous and fractured media.

Discrete Diffusion Monte Carlo for Electron Thermal Transport

NASA Astrophysics Data System (ADS)

Chenhall, Jeffrey; Cao, Duc; Wollaeger, Ryan; Moses, Gregory

2014-10-01

The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. is adapted to a Discrete Diffusion Monte Carlo (DDMC) solution method for eventual inclusion in a hybrid IMC-DDMC (Implicit Monte Carlo) method. The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the iSNB-DDMC method will be presented. This work was supported by Sandia National Laboratory - Albuquerque.

Transport and discrete particle noise in gyrokinetic simulations

NASA Astrophysics Data System (ADS)

Jenkins, Thomas; Lee, W. W.

2006-10-01

We present results from our recent investigations regarding the effects of discrete particle noise on the long-time behavior and transport properties of gyrokinetic particle-in-cell simulations. It is found that the amplitude of nonlinearly saturated drift waves is unaffected by discreteness-induced noise in plasmas whose behavior is dominated by a single mode in the saturated state. We further show that the scaling of this noise amplitude with particle count is correctly predicted by the fluctuation-dissipation theorem, even though the drift waves have driven the plasma from thermal equilibrium. As well, we find that the long-term behavior of the saturated system is unaffected by discreteness-induced noise even when multiple modes are included. Additional work utilizing a code with both total-f and δf capabilities is also presented, as part of our efforts to better understand the long- time balance between entropy production, collisional dissipation, and particle/heat flux in gyrokinetic plasmas.

Understanding hydraulic fracturing: a multi-scale problem.

PubMed

Hyman, J D; Jiménez-Martínez, J; Viswanathan, H S; Carey, J W; Porter, M L; Rougier, E; Karra, S; Kang, Q; Frash, L; Chen, L; Lei, Z; O'Malley, D; Makedonska, N

2016-10-13

Despite the impact that hydraulic fracturing has had on the energy sector, the physical mechanisms that control its efficiency and environmental impacts remain poorly understood in part because the length scales involved range from nanometres to kilometres. We characterize flow and transport in shale formations across and between these scales using integrated computational, theoretical and experimental efforts/methods. At the field scale, we use discrete fracture network modelling to simulate production of a hydraulically fractured well from a fracture network that is based on the site characterization of a shale gas reservoir. At the core scale, we use triaxial fracture experiments and a finite-discrete element model to study dynamic fracture/crack propagation in low permeability shale. We use lattice Boltzmann pore-scale simulations and microfluidic experiments in both synthetic and shale rock micromodels to study pore-scale flow and transport phenomena, including multi-phase flow and fluids mixing. A mechanistic description and integration of these multiple scales is required for accurate predictions of production and the eventual optimization of hydrocarbon extraction from unconventional reservoirs. Finally, we discuss the potential of CO2 as an alternative working fluid, both in fracturing and re-stimulating activities, beyond its environmental advantages.This article is part of the themed issue 'Energy and the subsurface'. © 2016 The Author(s).

Understanding hydraulic fracturing: a multi-scale problem

PubMed Central

Hyman, J. D.; Jiménez-Martínez, J.; Viswanathan, H. S.; Carey, J. W.; Porter, M. L.; Rougier, E.; Karra, S.; Kang, Q.; Frash, L.; Chen, L.; Lei, Z.; O’Malley, D.; Makedonska, N.

2016-01-01

Despite the impact that hydraulic fracturing has had on the energy sector, the physical mechanisms that control its efficiency and environmental impacts remain poorly understood in part because the length scales involved range from nanometres to kilometres. We characterize flow and transport in shale formations across and between these scales using integrated computational, theoretical and experimental efforts/methods. At the field scale, we use discrete fracture network modelling to simulate production of a hydraulically fractured well from a fracture network that is based on the site characterization of a shale gas reservoir. At the core scale, we use triaxial fracture experiments and a finite-discrete element model to study dynamic fracture/crack propagation in low permeability shale. We use lattice Boltzmann pore-scale simulations and microfluidic experiments in both synthetic and shale rock micromodels to study pore-scale flow and transport phenomena, including multi-phase flow and fluids mixing. A mechanistic description and integration of these multiple scales is required for accurate predictions of production and the eventual optimization of hydrocarbon extraction from unconventional reservoirs. Finally, we discuss the potential of CO2 as an alternative working fluid, both in fracturing and re-stimulating activities, beyond its environmental advantages. This article is part of the themed issue ‘Energy and the subsurface’. PMID:27597789

Too Hot for Photon-Assisted Transport: Hot-Electrons Dominate Conductance Enhancement in Illuminated Single-Molecule Junctions.

PubMed

Fung, E-Dean; Adak, Olgun; Lovat, Giacomo; Scarabelli, Diego; Venkataraman, Latha

2017-02-08

We investigate light-induced conductance enhancement in single-molecule junctions via photon-assisted transport and hot-electron transport. Using 4,4'-bipyridine bound to Au electrodes as a prototypical single-molecule junction, we report a 20-40% enhancement in conductance under illumination with 980 nm wavelength radiation. We probe the effects of subtle changes in the transmission function on light-enhanced current and show that discrete variations in the binding geometry result in a 10% change in enhancement. Importantly, we prove theoretically that the steady-state behavior of photon-assisted transport and hot-electron transport is identical but that hot-electron transport is the dominant mechanism for optically induced conductance enhancement in single-molecule junctions when the wavelength used is absorbed by the electrodes and the hot-electron relaxation time is long. We confirm this experimentally by performing polarization-dependent conductance measurements of illuminated 4,4'-bipyridine junctions. Finally, we perform lock-in type measurements of optical current and conclude that currents due to laser-induced thermal expansion mask optical currents. This work provides a robust experimental framework for studying mechanisms of light-enhanced transport in single-molecule junctions and offers tools for tuning the performance of organic optoelectronic devices by analyzing detailed transport properties of the molecules involved.

78 FR 23817 - Limitation on Claims Against Proposed Public Transportation Projects

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-22

... the discrete actions taken by FTA at this time, as described below. Nothing in this notice affects FTA... street level. This notice only applies to the discrete actions taken by FTA at this time, as described...

A flexible nonlinear diffusion acceleration method for the S N transport equations discretized with discontinuous finite elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schunert, Sebastian; Wang, Yaqi; Gleicher, Frederick

This paper presents a flexible nonlinear diffusion acceleration (NDA) method that discretizes both the S N transport equation and the diffusion equation using the discontinuous finite element method (DFEM). The method is flexible in that the diffusion equation can be discretized on a coarser mesh with the only restriction that it is nested within the transport mesh and the FEM shape function orders of the two equations can be different. The consistency of the transport and diffusion solutions at convergence is defined by using a projection operator mapping the transport into the diffusion FEM space. The diffusion weak form ismore » based on the modified incomplete interior penalty (MIP) diffusion DFEM discretization that is extended by volumetric drift, interior face, and boundary closure terms. In contrast to commonly used coarse mesh finite difference (CMFD) methods, the presented NDA method uses a full FEM discretized diffusion equation for acceleration. Suitable projection and prolongation operators arise naturally from the FEM framework. Via Fourier analysis and numerical experiments for a one-group, fixed source problem the following properties of the NDA method are established for structured quadrilateral meshes: (1) the presented method is unconditionally stable and effective in the presence of mild material heterogeneities if the same mesh and identical shape functions either of the bilinear or biquadratic type are used, (2) the NDA method remains unconditionally stable in the presence of strong heterogeneities, (3) the NDA method with bilinear elements extends the range of effectiveness and stability by a factor of two when compared to CMFD if a coarser diffusion mesh is selected. In addition, the method is tested for solving the C5G7 multigroup, eigenvalue problem using coarse and fine mesh acceleration. Finally, while NDA does not offer an advantage over CMFD for fine mesh acceleration, it reduces the iteration count required for convergence by almost a factor of two in the case of coarse mesh acceleration.« less

A flexible nonlinear diffusion acceleration method for the S N transport equations discretized with discontinuous finite elements

DOE PAGES

Schunert, Sebastian; Wang, Yaqi; Gleicher, Frederick; ...

2017-02-21

This paper presents a flexible nonlinear diffusion acceleration (NDA) method that discretizes both the S N transport equation and the diffusion equation using the discontinuous finite element method (DFEM). The method is flexible in that the diffusion equation can be discretized on a coarser mesh with the only restriction that it is nested within the transport mesh and the FEM shape function orders of the two equations can be different. The consistency of the transport and diffusion solutions at convergence is defined by using a projection operator mapping the transport into the diffusion FEM space. The diffusion weak form ismore » based on the modified incomplete interior penalty (MIP) diffusion DFEM discretization that is extended by volumetric drift, interior face, and boundary closure terms. In contrast to commonly used coarse mesh finite difference (CMFD) methods, the presented NDA method uses a full FEM discretized diffusion equation for acceleration. Suitable projection and prolongation operators arise naturally from the FEM framework. Via Fourier analysis and numerical experiments for a one-group, fixed source problem the following properties of the NDA method are established for structured quadrilateral meshes: (1) the presented method is unconditionally stable and effective in the presence of mild material heterogeneities if the same mesh and identical shape functions either of the bilinear or biquadratic type are used, (2) the NDA method remains unconditionally stable in the presence of strong heterogeneities, (3) the NDA method with bilinear elements extends the range of effectiveness and stability by a factor of two when compared to CMFD if a coarser diffusion mesh is selected. In addition, the method is tested for solving the C5G7 multigroup, eigenvalue problem using coarse and fine mesh acceleration. Finally, while NDA does not offer an advantage over CMFD for fine mesh acceleration, it reduces the iteration count required for convergence by almost a factor of two in the case of coarse mesh acceleration.« less

Technology Development Risk Assessment for Space Transportation Systems

NASA Technical Reports Server (NTRS)

Mathias, Donovan L.; Godsell, Aga M.; Go, Susie

2006-01-01

A new approach for assessing development risk associated with technology development projects is presented. The method represents technology evolution in terms of sector-specific discrete development stages. A Monte Carlo simulation is used to generate development probability distributions based on statistical models of the discrete transitions. Development risk is derived from the resulting probability distributions and specific program requirements. Two sample cases are discussed to illustrate the approach, a single rocket engine development and a three-technology space transportation portfolio.

Near net shape processing: A necessity for advanced materials applications

NASA Technical Reports Server (NTRS)

Kuhn, Howard A.

1993-01-01

High quality discrete parts are the backbones for successful operation of equipment used in transportation, communication, construction, manufacturing, and appliances. Traditional shapemaking for discrete parts is carried out predominantly by machining, or removing unwanted material to produce the desired shape. As the cost and complexity of modern materials escalates, coupled with the expense and environmental hazards associated with handling of scrap, it is increasingly important to develop near net shape processes for these materials. Such processes involve casting of liquid materials, consolidation of powder materials, or deformation processing of simple solid shapes into the desired shape. Frequently, several of these operations may be used in sequence to produce a finished part. The processes for near net shape forming may be applied to any type of material, including metals, polymers, ceramics, and their composites. The ability to produce shapes is the key to implementation of laboratory developments in materials science into real world applications. This seminar presents an overview of near net shapemaking processes, some application examples, current developments, and future research opportunities.

The Influence of Noise on Turbulent Transport.

NASA Astrophysics Data System (ADS)

Krommes, J. A.

2006-10-01

Recently there have been considerable discussions and contradictory conclusions about the possible influence of numerical noise on measured turbulent fluxes. In the present work, some of the conceptual and analytical foundations of noise-related calculations are reconsidered, and some paradoxes are resolved. An elementary model involving coupled random processes shows that extra noise (e.g., related to numerical sampling errors in δf particle simulations can reduce total transport. (Intuition to the contrary stems from oversimplified models involving independent, additive, and passive advection velocities.) This result is interpreted in terms of the structure of the steady-state spectral balance equation for turbulence in the presence of discreteness-induced noise. The relationship of the Fluctuation-- Dissipation Theorem to general nonequilibrium statistical balances is also discussed. W. M. Nevins, G. W. Hammett, A. M. Dimits, W. Dorland, and D. E. Shumaker, Phys. Plasmas 12, 122305 (2005) W. W. Lee, Bull. Am. Phys. Soc., http://www.aps.org/meet/APR06, abstr.I16.00004 (2006). G. Hu and J. A. Krommes, Phys. Plasmas 1, 863 (1994).) H. A. Rose, J. Stat.Phys.20, 415 (1979).

15 CFR Supplement No. 1 to Part 715 - Definition of an Unscheduled Discrete Organic Chemical

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Definition of an Unscheduled Discrete... WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 1 Supplement No. 1 to Part 715—Definition of an Unscheduled Discrete Organic Chemical Unscheduled...

15 CFR Supplement No. 2 to Part 715 - Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Examples of Unscheduled Discrete... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 2 Supplement No. 2 to Part 715—Examples of Unscheduled Discrete Organic...

23 CFR 450.216 - Development and content of the statewide transportation improvement program (STIP).

Code of Federal Regulations, 2011 CFR

2011-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Statewide Transportation Planning and... research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the State's discretion, State planning and research projects funded with National Highway System, Surface Transportation Program, and/or...

23 CFR 450.216 - Development and content of the statewide transportation improvement program (STIP).

Code of Federal Regulations, 2012 CFR

2012-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Statewide Transportation Planning and... research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the State's discretion, State planning and research projects funded with National Highway System, Surface Transportation Program, and/or...

23 CFR 450.216 - Development and content of the statewide transportation improvement program (STIP).

Code of Federal Regulations, 2010 CFR

2010-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Statewide Transportation Planning and... research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the State's discretion, State planning and research projects funded with National Highway System, Surface Transportation Program, and/or...

23 CFR 450.216 - Development and content of the statewide transportation improvement program (STIP).

Code of Federal Regulations, 2014 CFR

2014-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Statewide Transportation Planning and... research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the State's discretion, State planning and research projects funded with National Highway System, Surface Transportation Program, and/or...

23 CFR 450.216 - Development and content of the statewide transportation improvement program (STIP).

Code of Federal Regulations, 2013 CFR

2013-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Statewide Transportation Planning and... research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the State's discretion, State planning and research projects funded with National Highway System, Surface Transportation Program, and/or...

Cognitive and neural foundations of discrete sequence skill: a TMS study.

PubMed

Ruitenberg, Marit F L; Verwey, Willem B; Schutter, Dennis J L G; Abrahamse, Elger L

2014-04-01

Executing discrete movement sequences typically involves a shift with practice from a relatively slow, stimulus-based mode to a fast mode in which performance is based on retrieving and executing entire motor chunks. The dual processor model explains the performance of (skilled) discrete key-press sequences in terms of an interplay between a cognitive processor and a motor system. In the present study, we tested and confirmed the core assumptions of this model at the behavioral level. In addition, we explored the involvement of the pre-supplementary motor area (pre-SMA) in discrete sequence skill by applying inhibitory 20 min 1-Hz off-line repetitive transcranial magnetic stimulation (rTMS). Based on previous work, we predicted pre-SMA involvement in the selection/initiation of motor chunks, and this was confirmed by our results. The pre-SMA was further observed to be more involved in more complex than in simpler sequences, while no evidence was found for pre-SMA involvement in direct stimulus-response translations or associative learning processes. In conclusion, support is provided for the dual processor model, and for pre-SMA involvement in the initiation of motor chunks. Copyright © 2014 Elsevier Ltd. All rights reserved.

A projection hybrid high order finite volume/finite element method for incompressible turbulent flows

NASA Astrophysics Data System (ADS)

Busto, S.; Ferrín, J. L.; Toro, E. F.; Vázquez-Cendón, M. E.

2018-01-01

In this paper the projection hybrid FV/FE method presented in [1] is extended to account for species transport equations. Furthermore, turbulent regimes are also considered thanks to the k-ε model. Regarding the transport diffusion stage new schemes of high order of accuracy are developed. The CVC Kolgan-type scheme and ADER methodology are extended to 3D. The latter is modified in order to profit from the dual mesh employed by the projection algorithm and the derivatives involved in the diffusion term are discretized using a Galerkin approach. The accuracy and stability analysis of the new method are carried out for the advection-diffusion-reaction equation. Within the projection stage the pressure correction is computed by a piecewise linear finite element method. Numerical results are presented, aimed at verifying the formal order of accuracy of the scheme and to assess the performance of the method on several realistic test problems.

CVD-MPFA full pressure support, coupled unstructured discrete fracture-matrix Darcy-flux approximations

NASA Astrophysics Data System (ADS)

Ahmed, Raheel; Edwards, Michael G.; Lamine, Sadok; Huisman, Bastiaan A. H.; Pal, Mayur

2017-11-01

Two novel control-volume methods are presented for flow in fractured media, and involve coupling the control-volume distributed multi-point flux approximation (CVD-MPFA) constructed with full pressure support (FPS), to two types of discrete fracture-matrix approximation for simulation on unstructured grids; (i) involving hybrid grids and (ii) a lower dimensional fracture model. Flow is governed by Darcy's law together with mass conservation both in the matrix and the fractures, where large discontinuities in permeability tensors can occur. Finite-volume FPS schemes are more robust than the earlier CVD-MPFA triangular pressure support (TPS) schemes for problems involving highly anisotropic homogeneous and heterogeneous full-tensor permeability fields. We use a cell-centred hybrid-grid method, where fractures are modelled by lower-dimensional interfaces between matrix cells in the physical mesh but expanded to equi-dimensional cells in the computational domain. We present a simple procedure to form a consistent hybrid-grid locally for a dual-cell. We also propose a novel hybrid-grid for intersecting fractures, for the FPS method, which reduces the condition number of the global linear system and leads to larger time steps for tracer transport. The transport equation for tracer flow is coupled with the pressure equation and provides flow parameter assessment of the fracture models. Transport results obtained via TPS and FPS hybrid-grid formulations are compared with the corresponding results of fine-scale explicit equi-dimensional formulations. The results show that the hybrid-grid FPS method applies to general full-tensor fields and provides improved robust approximations compared to the hybrid-grid TPS method for fractured domains, for both weakly anisotropic permeability fields and very strong anisotropic full-tensor permeability fields where the TPS scheme exhibits spurious oscillations. The hybrid-grid FPS formulation is extended to compressible flow and the results demonstrate the method is also robust for transient flow. Furthermore, we present FPS coupled with a lower-dimensional fracture model, where fractures are strictly lower-dimensional in the physical mesh as well as in the computational domain. We present a comparison of the hybrid-grid FPS method and the lower-dimensional fracture model for several cases of isotropic and anisotropic fractured media which illustrate the benefits of the respective methods.

23 CFR 771.118 - FTA categorical exclusions

Code of Federal Regulations, 2014 CFR

2014-04-01

...) Acquisition, installation, operation, evaluation, replacement, and improvement of discrete utilities and... activities; rehabilitation of public transportation buildings, structures, or facilities; retrofitting for... transportation vehicles, facilities or structures, or upgrading to current standards. (6) Acquisition or transfer...

23 CFR 771.118 - FTA categorical exclusions

Code of Federal Regulations, 2013 CFR

2013-04-01

...) Acquisition, installation, operation, evaluation, replacement, and improvement of discrete utilities and... activities; rehabilitation of public transportation buildings, structures, or facilities; retrofitting for... transportation vehicles, facilities or structures, or upgrading to current standards. (6) Acquisition or transfer...

49 CFR 604.38 - Discovery.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 7 2011-10-01 2011-10-01 false Discovery. 604.38 Section 604.38 Transportation... TRANSPORTATION CHARTER SERVICE Hearings. § 604.38 Discovery. (a) Permissible forms of discovery shall be within the discretion of the PO. (b) The PO shall limit the frequency and extent of discovery permitted by...

49 CFR 604.38 - Discovery.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 7 2013-10-01 2013-10-01 false Discovery. 604.38 Section 604.38 Transportation... TRANSPORTATION CHARTER SERVICE Hearings § 604.38 Discovery. (a) Permissible forms of discovery shall be within the discretion of the PO. (b) The PO shall limit the frequency and extent of discovery permitted by...

49 CFR 604.38 - Discovery.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 7 2014-10-01 2014-10-01 false Discovery. 604.38 Section 604.38 Transportation... TRANSPORTATION CHARTER SERVICE Hearings § 604.38 Discovery. (a) Permissible forms of discovery shall be within the discretion of the PO. (b) The PO shall limit the frequency and extent of discovery permitted by...

49 CFR 604.38 - Discovery.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 7 2012-10-01 2012-10-01 false Discovery. 604.38 Section 604.38 Transportation... TRANSPORTATION CHARTER SERVICE Hearings § 604.38 Discovery. (a) Permissible forms of discovery shall be within the discretion of the PO. (b) The PO shall limit the frequency and extent of discovery permitted by...

49 CFR 604.38 - Discovery.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 7 2010-10-01 2010-10-01 false Discovery. 604.38 Section 604.38 Transportation... TRANSPORTATION CHARTER SERVICE Hearings. § 604.38 Discovery. (a) Permissible forms of discovery shall be within the discretion of the PO. (b) The PO shall limit the frequency and extent of discovery permitted by...

Multi-Interval Discretization of Continuous-Valued Attributes for Classification Learning

NASA Technical Reports Server (NTRS)

Fayyad, U.; Irani, K.

1993-01-01

Since most real-world applications of classification learning involve continuous-valued attributes, properly addressing the discretization process is an important problem. This paper addresses the use of the entropy minimization heuristic for discretizing the range of a continuous-valued attribute into multiple intervals.

15 CFR Supplement No. 3 to Part 715 - Deadlines for Submission of Declarations, No Changes Authorization Forms, Amendments for...

Code of Federal Regulations, 2013 CFR

2013-01-01

... Declarations, No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC..., No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC...

15 CFR Supplement No. 3 to Part 715 - Deadlines for Submission of Declarations, No Changes Authorization Forms, Amendments for...

Code of Federal Regulations, 2011 CFR

2011-01-01

... Declarations, No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC... Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC) Facilities, and...

15 CFR Supplement No. 3 to Part 715 - Deadlines for Submission of Declarations, No Changes Authorization Forms, Amendments for...

Code of Federal Regulations, 2014 CFR

2014-01-01

... Declarations, No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC..., No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC...

15 CFR Supplement No. 3 to Part 715 - Deadlines for Submission of Declarations, No Changes Authorization Forms, Amendments for...

Code of Federal Regulations, 2012 CFR

2012-01-01

... Declarations, No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC... Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC) Facilities, and...

15 CFR Supplement No. 3 to Part 715 - Deadlines for Submission of Declarations, No Changes Authorization Forms, Amendments for...

Code of Federal Regulations, 2010 CFR

2010-01-01

... Declarations, No Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC... Changes Authorization Forms, Amendments for Unscheduled Discrete Organic Chemical (UDOC) Facilities, and...

Incorporating environmental justice measures into equilibrium-based transportation network design models

DOT National Transportation Integrated Search

2007-08-01

This research outlines three major challenges of incorporating Environmental Justice (EJ) into metropolitan transportation planning and proposes a new variation of the user equilibrium discrete network design problem (UEDNDP) for achieving EJ amongst...

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, Benjamin, E-mail: collinsbs@ornl.gov; Stimpson, Shane, E-mail: stimpsonsg@ornl.gov; Kelley, Blake W., E-mail: kelleybl@umich.edu

2016-12-01

A consistent “2D/1D” neutron transport method is derived from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. This paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. Several applications have been performed on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

Discrete Fracture Network Modeling and Simulation of Subsurface Transport for the Topopah Springs and Lava Flow Aquifers at Pahute Mesa, FY 15 Progress Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makedonska, Nataliia; Kwicklis, Edward Michael; Birdsell, Kay Hanson

This progress report for fiscal year 2015 (FY15) describes the development of discrete fracture network (DFN) models for Pahute Mesa. DFN models will be used to upscale parameters for simulations of subsurface flow and transport in fractured media in Pahute Mesa. The research focuses on modeling of groundwater flow and contaminant transport using DFNs generated according to fracture characteristics observed in the Topopah Spring Aquifer (TSA) and the Lava Flow Aquifer (LFA). This work will improve the representation of radionuclide transport processes in large-scale, regulatory-focused models with a view to reduce pessimistic bounding approximations and provide more realistic contaminant boundarymore » calculations that can be used to describe the future extent of contaminated groundwater. Our goal is to refine a modeling approach that can translate parameters to larger-scale models that account for local-scale flow and transport processes, which tend to attenuate migration.« less

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

DOE PAGES

Collins, Benjamin; Stimpson, Shane; Kelley, Blake W.; ...

2016-08-25

We derived a consistent “2D/1D” neutron transport method from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. Our paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. We also performed several applications on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

Application of the discrete generalized multigroup method to ultra-fine energy mesh in infinite medium calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gibson, N. A.; Forget, B.

2012-07-01

The Discrete Generalized Multigroup (DGM) method uses discrete Legendre orthogonal polynomials to expand the energy dependence of the multigroup neutron transport equation. This allows a solution on a fine energy mesh to be approximated for a cost comparable to a solution on a coarse energy mesh. The DGM method is applied to an ultra-fine energy mesh (14,767 groups) to avoid using self-shielding methodologies without introducing the cost usually associated with such energy discretization. Results show DGM to converge to the reference ultra-fine solution after a small number of recondensation steps for multiple infinite medium compositions. (authors)

[Development of New Mathematical Methodology in Air Traffic Control for the Analysis of Hybrid Systems

NASA Technical Reports Server (NTRS)

Hermann, Robert

1997-01-01

The aim of this research is to develop new mathematical methodology for the analysis of hybrid systems of the type involved in Air Traffic Control (ATC) problems. Two directions of investigation were initiated. The first used the methodology of nonlinear generalized functions, whose mathematical foundations were initiated by Colombeau and developed further by Oberguggenberger; it has been extended to apply to ordinary differential. Systems of the type encountered in control in joint work with the PI and M. Oberguggenberger. This involved a 'mixture' of 'continuous' and 'discrete' methodology. ATC clearly involves mixtures of two sorts of mathematical problems: (1) The 'continuous' dynamics of a standard control type described by ordinary differential equations (ODE) of the form: {dx/dt = f(x, u)} and (2) the discrete lattice dynamics involved of cellular automata. Most of the CA literature involves a discretization of a partial differential equation system of the type encountered in physics problems (e.g. fluid and gas problems). Both of these directions requires much thinking and new development of mathematical fundamentals before they may be utilized in the ATC work. Rather than consider CA as 'discretization' of PDE systems, I believe that the ATC applications will require a completely different and new mathematical methodology, a sort of discrete analogue of jet bundles and/or the sheaf-theoretic techniques to topologists. Here too, I have begun work on virtually 'virgin' mathematical ground (at least from an 'applied' point of view) which will require considerable preliminary work.

Understanding Hydraulic Fracturing: A Multi-Scale Problem

DOE PAGES

Hyman, Jeffrey De'Haven; Gimenez Martinez, Joaquin; Viswanathan, Hari S.; ...

2016-09-05

Despite the impact that hydraulic fracturing has had on the energy sector, the physical mechanisms that control its efficiency and environmental impacts remain poorly understood in part because the length scales involved range from nano-meters to kilo-meters. We characterize flow and transport in shale formations across and between these scales using integrated computational, theoretical, and experimental efforts. At the field scale, we use discrete fracture network modeling to simulate production at a well site whose fracture network is based on a site characterization of a shale formation. At the core scale, we use triaxial fracture experiments and a finite-element discrete-elementmore » fracture propagation model with a coupled fluid solver to study dynamic crack propagation in low permeability shale. We use lattice Boltzmann pore-scale simulations and microfluidic experiments in both synthetic and real micromodels to study pore-scale flow phenomenon such as multiphase flow and mixing. A mechanistic description and integration of these multiple scales is required for accurate predictions of production and the eventual optimization of hydrocarbon extraction from unconventional reservoirs.« less

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyman, Jeffrey D.; Karra, Satish; Makedonska, Nataliia

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in anmore » intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.« less

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DOE PAGES

Hyman, Jeffrey D.; Karra, Satish; Makedonska, Nataliia; ...

2015-11-01

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in anmore » intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.« less

40 CFR 80.1430 - Requirements for exporters of renewable fuels.

Code of Federal Regulations, 2012 CFR

2012-07-01

.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or... associated with discrete volume k. Σ = Sum involving all volumes of biodiesel or renewable diesel exported.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or...

40 CFR 80.1430 - Requirements for exporters of renewable fuels.

Code of Federal Regulations, 2014 CFR

2014-07-01

.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or... associated with discrete volume k. Σ = Sum involving all volumes of biodiesel or renewable diesel exported.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or...

40 CFR 80.1430 - Requirements for exporters of renewable fuels.

Code of Federal Regulations, 2011 CFR

2011-07-01

.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or... associated with discrete volume k. Σ = Sum involving all volumes of biodiesel or renewable diesel exported.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or...

40 CFR 80.1430 - Requirements for exporters of renewable fuels.

Code of Federal Regulations, 2013 CFR

2013-07-01

.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or... associated with discrete volume k. Σ = Sum involving all volumes of biodiesel or renewable diesel exported.... VOLk = The standardized volume of discrete volume k of exported renewable fuel that is biodiesel or...

40 CFR 80.1130 - Requirements for exporters of renewable fuels.

Code of Federal Regulations, 2010 CFR

2010-07-01

... gallons of renewable fuel. k = A discrete volume of renewable fuel. VOLk = The standardized volume of discrete volume k of exported renewable fuel, in gallons, calculated in accordance with § 80.1126(d)(7). EVk = The equivalence value associated with discrete volume k. = Sum involving all volumes of...

Multidimensional FEM-FCT schemes for arbitrary time stepping

NASA Astrophysics Data System (ADS)

Kuzmin, D.; Möller, M.; Turek, S.

2003-05-01

The flux-corrected-transport paradigm is generalized to finite-element schemes based on arbitrary time stepping. A conservative flux decomposition procedure is proposed for both convective and diffusive terms. Mathematical properties of positivity-preserving schemes are reviewed. A nonoscillatory low-order method is constructed by elimination of negative off-diagonal entries of the discrete transport operator. The linearization of source terms and extension to hyperbolic systems are discussed. Zalesak's multidimensional limiter is employed to switch between linear discretizations of high and low order. A rigorous proof of positivity is provided. The treatment of non-linearities and iterative solution of linear systems are addressed. The performance of the new algorithm is illustrated by numerical examples for the shock tube problem in one dimension and scalar transport equations in two dimensions.

Multilayer shallow water models with locally variable number of layers and semi-implicit time discretization

NASA Astrophysics Data System (ADS)

Bonaventura, Luca; Fernández-Nieto, Enrique D.; Garres-Díaz, José; Narbona-Reina, Gladys

2018-07-01

We propose an extension of the discretization approaches for multilayer shallow water models, aimed at making them more flexible and efficient for realistic applications to coastal flows. A novel discretization approach is proposed, in which the number of vertical layers and their distribution are allowed to change in different regions of the computational domain. Furthermore, semi-implicit schemes are employed for the time discretization, leading to a significant efficiency improvement for subcritical regimes. We show that, in the typical regimes in which the application of multilayer shallow water models is justified, the resulting discretization does not introduce any major spurious feature and allows again to reduce substantially the computational cost in areas with complex bathymetry. As an example of the potential of the proposed technique, an application to a sediment transport problem is presented, showing a remarkable improvement with respect to standard discretization approaches.

Impact of Stress on Anomalous Transport in Fractured Rock

NASA Astrophysics Data System (ADS)

Kang, P. K.; Lei, Q.; Lee, S.; Dentz, M.; Juanes, R.

2016-12-01

Fluid flow and transport in fractured rock controls many natural and engineered processes in the subsurface. However, characterizing flow and transport through fractured media is challenging due to the large heterogeneity of fractured rock properties. In addition to these "static" challenges, geologic fractures are always under significant overburden stress, and changes in the stress state can lead to changes in the fracture's ability to conduct fluids. While confining stress has been shown to impact fluid flow through fractures in a fundamental way, the impact of confining stress on transport through fractured rock remains largely unexplored. The link between anomalous (non-Fickian) transport and confining stress has been shown only recently, at the level of a single rough fracture [1]. Here, we investigate the impact of confining stress on flow and transport through discrete fracture networks. We model geomechanical effects in 2D fractured rock by means of a finite-discrete element method (FEMDEM), which can capture the deformation of matrix blocks, reactivation and propagation of cracks. We implement a joint constitutive model within the FEMDEM framework to simulate the effect of fracture roughness. We apply the model to a fracture network extracted from the geological map of an actual outcrop to obtain the aperture field at different stress conditions (Figure 1). We then simulate fluid flow and particle transport through the stressed fracture networks. We observe that anomalous transport emerges in response to confining stress on the fracture networks, and show that this anomalous behavior can be linked to the stress state of the rock. Finally, we develop an effective transport model that captures the anomalous transport through stressed fractures. Our results point to a heretofore unrecognized link between geomechanics and anomalous transport in discrete fractured networks. [1] P. K. Kang, S. Brown, and R. Juanes, Emergence of anomalous transport in stressed rough fractures. Earth and Planetary Science Letters, to appear (2016). Figure (a) Map of maximum principal stress with a vertical normal compressive stress of 3 MPa at top and bottom boundaries, and 1MPa at left and right boundaries. (b) Normal compressive stress of 15 MPa at top and bottom boundaries, and 5MPa at left and right boundaries.

Evaluation of the matrix exponential for use in ground-water-flow and solute-transport simulations; theoretical framework

USGS Publications Warehouse

Umari, A.M.; Gorelick, S.M.

1986-01-01

It is possible to obtain analytic solutions to the groundwater flow and solute transport equations if space variables are discretized but time is left continuous. From these solutions, hydraulic head and concentration fields for any future time can be obtained without ' marching ' through intermediate time steps. This analytical approach involves matrix exponentiation and is referred to as the Matrix Exponential Time Advancement (META) method. Two algorithms are presented for the META method, one for symmetric and the other for non-symmetric exponent matrices. A numerical accuracy indicator, referred to as the matrix condition number, was defined and used to determine the maximum number of significant figures that may be lost in the META method computations. The relative computational and storage requirements of the META method with respect to the time marching method increase with the number of nodes in the discretized problem. The potential greater accuracy of the META method and the associated greater reliability through use of the matrix condition number have to be weighed against this increased relative computational and storage requirements of this approach as the number of nodes becomes large. For a particular number of nodes, the META method may be computationally more efficient than the time-marching method, depending on the size of time steps used in the latter. A numerical example illustrates application of the META method to a sample ground-water-flow problem. (Author 's abstract)

15 CFR Supplement No. 1 to Part 715 - Definition of an Unscheduled Discrete Organic Chemical

Code of Federal Regulations, 2012 CFR

2012-01-01

... Organic Chemical No. Supplement No. 1 to Part 715 Commerce and Foreign Trade Regulations Relating to... WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 1 Supplement No. 1 to Part 715—Definition of an Unscheduled Discrete Organic Chemical Unscheduled...

15 CFR Supplement No. 1 to Part 715 - Definition of an Unscheduled Discrete Organic Chemical

Code of Federal Regulations, 2014 CFR

2014-01-01

... Organic Chemical No. Supplement No. 1 to Part 715 Commerce and Foreign Trade Regulations Relating to... WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 1 Supplement No. 1 to Part 715—Definition of an Unscheduled Discrete Organic Chemical Unscheduled...

15 CFR Supplement No. 2 to Part 715 - Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production

Code of Federal Regulations, 2012 CFR

2012-01-01

... Organic Chemicals (UDOCs) and UDOC Production No. Supplement No. 2 to Part 715 Commerce and Foreign Trade... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 2 Supplement No. 2 to Part 715—Examples of Unscheduled Discrete Organic...

15 CFR Supplement No. 1 to Part 715 - Definition of an Unscheduled Discrete Organic Chemical

Code of Federal Regulations, 2011 CFR

2011-01-01

... Organic Chemical No. Supplement No. 1 to Part 715 Commerce and Foreign Trade Regulations Relating to... WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 1 Supplement No. 1 to Part 715—Definition of an Unscheduled Discrete Organic Chemical Unscheduled...

15 CFR Supplement No. 2 to Part 715 - Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production

Code of Federal Regulations, 2013 CFR

2013-01-01

... Organic Chemicals (UDOCs) and UDOC Production No. Supplement No. 2 to Part 715 Commerce and Foreign Trade... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 2 Supplement No. 2 to Part 715—Examples of Unscheduled Discrete Organic...

15 CFR Supplement No. 2 to Part 715 - Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production

Code of Federal Regulations, 2011 CFR

2011-01-01

... Organic Chemicals (UDOCs) and UDOC Production No. Supplement No. 2 to Part 715 Commerce and Foreign Trade... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 2 Supplement No. 2 to Part 715—Examples of Unscheduled Discrete Organic...

15 CFR Supplement No. 1 to Part 715 - Definition of an Unscheduled Discrete Organic Chemical

Code of Federal Regulations, 2013 CFR

2013-01-01

... Organic Chemical No. Supplement No. 1 to Part 715 Commerce and Foreign Trade Regulations Relating to... WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 1 Supplement No. 1 to Part 715—Definition of an Unscheduled Discrete Organic Chemical Unscheduled...

15 CFR Supplement No. 2 to Part 715 - Examples of Unscheduled Discrete Organic Chemicals (UDOCs) and UDOC Production

Code of Federal Regulations, 2014 CFR

2014-01-01

... Organic Chemicals (UDOCs) and UDOC Production No. Supplement No. 2 to Part 715 Commerce and Foreign Trade... COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) Pt. 715, Supp. 2 Supplement No. 2 to Part 715—Examples of Unscheduled Discrete Organic...

40 CFR 80.1430 - Requirements for exporters of renewable fuels.

Code of Federal Regulations, 2010 CFR

2010-07-01

... calendar year i, in gallons. k = A discrete volume of exported renewable fuel. VOLk = The standardized volume of discrete volume k of exported renewable fuel that the exporter knows or has reason to know is... associated with discrete volume k. Σ = Sum involving all volumes of cellulosic biofuel exported. DCB,i-1...

Multiscale Simulations of Reactive Transport

NASA Astrophysics Data System (ADS)

Tartakovsky, D. M.; Bakarji, J.

2014-12-01

Discrete, particle-based simulations offer distinct advantages when modeling solute transport and chemical reactions. For example, Brownian motion is often used to model diffusion in complex pore networks, and Gillespie-type algorithms allow one to handle multicomponent chemical reactions with uncertain reaction pathways. Yet such models can be computationally more intensive than their continuum-scale counterparts, e.g., advection-dispersion-reaction equations. Combining the discrete and continuum models has a potential to resolve the quantity of interest with a required degree of physicochemical granularity at acceptable computational cost. We present computational examples of such "hybrid models" and discuss the challenges associated with coupling these two levels of description.

Flux-corrected transport algorithms for continuous Galerkin methods based on high order Bernstein finite elements

NASA Astrophysics Data System (ADS)

Lohmann, Christoph; Kuzmin, Dmitri; Shadid, John N.; Mabuza, Sibusiso

2017-09-01

This work extends the flux-corrected transport (FCT) methodology to arbitrary order continuous finite element discretizations of scalar conservation laws on simplex meshes. Using Bernstein polynomials as local basis functions, we constrain the total variation of the numerical solution by imposing local discrete maximum principles on the Bézier net. The design of accuracy-preserving FCT schemes for high order Bernstein-Bézier finite elements requires the development of new algorithms and/or generalization of limiting techniques tailored for linear and multilinear Lagrange elements. In this paper, we propose (i) a new discrete upwinding strategy leading to local extremum bounded low order approximations with compact stencils, (ii) high order variational stabilization based on the difference between two gradient approximations, and (iii) new localized limiting techniques for antidiffusive element contributions. The optional use of a smoothness indicator, based on a second derivative test, makes it possible to potentially avoid unnecessary limiting at smooth extrema and achieve optimal convergence rates for problems with smooth solutions. The accuracy of the proposed schemes is assessed in numerical studies for the linear transport equation in 1D and 2D.

Analysis of Discrete Stated Responses to Parking Pricing Based Transportation Control Measures

DOT National Transportation Integrated Search

1997-01-01

The realization that one can no longer build out of congestion while preserving the urban environment has led to an increasing interest in the potential application of transportation control measures (TCM) for curbing travel demand. One such TCM that...

Regional Evaluation of the Severity-Based Stroke Triage Algorithm for Emergency Medical Services Using Discrete Event Simulation.

PubMed

Bogle, Brittany M; Asimos, Andrew W; Rosamond, Wayne D

2017-10-01

The Severity-Based Stroke Triage Algorithm for Emergency Medical Services endorses routing patients with suspected large vessel occlusion acute ischemic strokes directly to endovascular stroke centers (ESCs). We sought to evaluate different specifications of this algorithm within a region. We developed a discrete event simulation environment to model patients with suspected stroke transported according to algorithm specifications, which varied by stroke severity screen and permissible additional transport time for routing patients to ESCs. We simulated King County, Washington, and Mecklenburg County, North Carolina, distributing patients geographically into census tracts. Transport time to the nearest hospital and ESC was estimated using traffic-based travel times. We assessed undertriage, overtriage, transport time, and the number-needed-to-route, defined as the number of patients enduring additional transport to route one large vessel occlusion patient to an ESC. Undertriage was higher and overtriage was lower in King County compared with Mecklenburg County for each specification. Overtriage variation was primarily driven by screen (eg, 13%-55% in Mecklenburg County and 10%-40% in King County). Transportation time specifications beyond 20 minutes increased overtriage and decreased undertriage in King County but not Mecklenburg County. A low- versus high-specificity screen routed 3.7× more patients to ESCs. Emergency medical services spent nearly twice the time routing patients to ESCs in King County compared with Mecklenburg County. Our results demonstrate how discrete event simulation can facilitate informed decision making to optimize emergency medical services stroke severity-based triage algorithms. This is the first step toward developing a mature simulation to predict patient outcomes. © 2017 American Heart Association, Inc.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

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

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

DOE PAGES

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

2015-09-16

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

Numerical Experiments on Advective Transport in Large Three-Dimensional Discrete Fracture Networks

NASA Astrophysics Data System (ADS)

Makedonska, N.; Painter, S. L.; Karra, S.; Gable, C. W.

2013-12-01

Modeling of flow and solute transport in discrete fracture networks is an important approach for understanding the migration of contaminants in impermeable hard rocks such as granite, where fractures provide dominant flow and transport pathways. The discrete fracture network (DFN) model attempts 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. An integrated DFN meshing [1], flow, and particle tracking [2] simulation capability that enables accurate flow and particle tracking simulation on large DFNs has recently been developed. The new capability has been used in numerical experiments on advective transport in large DFNs with tens of thousands of fractures and millions of computational cells. The modeling procedure starts from the fracture network generation using a stochastic model derived from site data. A high-quality computational mesh is then generated [1]. Flow is then solved using the highly parallel PFLOTRAN [3] code. PFLOTRAN uses the finite volume approach, which is locally mass conserving and thus eliminates mass balance problems during particle tracking. The flow solver provides the scalar fluxes on each control volume face. From the obtained fluxes the Darcy velocity is reconstructed for each node in the network [4]. Velocities can then be continuously interpolated to any point in the domain of interest, thus enabling random walk particle tracking. In order to describe the flow field on fractures intersections, the control volume cells on intersections are split into four planar polygons, where each polygon corresponds to a piece of a fracture near the intersection line. Thus, computational nodes lying on fracture intersections have four associated velocities, one on each side of the intersection in each fracture plane [2]. This information is used to route particles arriving at the fracture intersection to the appropriate downstream fracture segment. Verified for small DFNs, the new simulation capability allows accurate particle tracking on more realistic representations of fractured rock sites. In the current work we focus on travel time statistics and spatial dispersion and show numerical results in DFNs of different sizes, fracture densities, and transmissivity distributions. [1] Hyman J.D., Gable C.W., Painter S.L., Automated meshing of stochastically generated discrete fracture networks, Abstract H33G-1403, 2011 AGU, San Francisco, CA, 5-9 Dec. [2] N. Makedonska, S. L. Painter, T.-L. Hsieh, Q.M. Bui, and C. W. Gable., Development and verification of a new particle tracking capability for modeling radionuclide transport in discrete fracture networks, Abstract, 2013 IHLRWM, Albuquerque, NM, Apr. 28 - May 3. [3] Lichtner, P.C., Hammond, G.E., Bisht, G., Karra, S., Mills, R.T., and Kumar, J. (2013) PFLOTRAN User's Manual: A Massively Parallel Reactive Flow Code. [4] Painter S.L., Gable C.W., Kelkar S., Pathline tracing on fully unstructured control-volume grids, Computational Geosciences, 16 (4), 2012, 1125-1134.

Stated choice for transportation demand management models : using a disaggregate truth set to study predictive validity

DOT National Transportation Integrated Search

1997-01-01

Discrete choice models have expanded the ability of transportation planners to forecast future trends. Where new services or policies are proposed, the stated-choice approach can provide an objective basis for forecasts. Stated-choice models are subj...

23 CFR 450.324 - Development and content of the transportation improvement program (TIP).

Code of Federal Regulations, 2014 CFR

2014-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Metropolitan Transportation Planning and...), 49 U.S.C. 5305(d), and 49 U.S.C. 5339; (3) State planning and research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the discretion of the State and MPO, State planning and research...

23 CFR 450.324 - Development and content of the transportation improvement program (TIP).

Code of Federal Regulations, 2012 CFR

2012-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Metropolitan Transportation Planning and...), 49 U.S.C. 5305(d), and 49 U.S.C. 5339; (3) State planning and research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the discretion of the State and MPO, State planning and research...

23 CFR 450.324 - Development and content of the transportation improvement program (TIP).

Code of Federal Regulations, 2010 CFR

2010-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Metropolitan Transportation Planning and...), 49 U.S.C. 5305(d), and 49 U.S.C. 5339; (3) State planning and research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the discretion of the State and MPO, State planning and research...

23 CFR 450.324 - Development and content of the transportation improvement program (TIP).

Code of Federal Regulations, 2011 CFR

2011-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Metropolitan Transportation Planning and...), 49 U.S.C. 5305(d), and 49 U.S.C. 5339; (3) State planning and research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the discretion of the State and MPO, State planning and research...

23 CFR 450.324 - Development and content of the transportation improvement program (TIP).

Code of Federal Regulations, 2013 CFR

2013-04-01

... TRANSPORTATION PLANNING AND RESEARCH PLANNING ASSISTANCE AND STANDARDS Metropolitan Transportation Planning and...), 49 U.S.C. 5305(d), and 49 U.S.C. 5339; (3) State planning and research projects funded under 23 U.S.C. 505 and 49 U.S.C. 5305(e); (4) At the discretion of the State and MPO, State planning and research...

Fully kinetic particle simulations of high pressure streamer propagation

NASA Astrophysics Data System (ADS)

Rose, David; Welch, Dale; Thoma, Carsten; Clark, Robert

2012-10-01

Streamer and leader formation in high pressure devices is a dynamic process involving a hierarchy of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. We have performed 2D and 3D fully EM implicit particle-in-cell simulation model of gas breakdown leading to streamer formation under DC and RF fields. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm [D. R. Welch, et al., J. Comp. Phys. 227, 143 (2007)] that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge. These models are being applied to the analysis of high-pressure gas switches [D. V. Rose, et al., Phys. Plasmas 18, 093501 (2011)] and gas-filled RF accelerator cavities [D. V. Rose, et al. Proc. IPAC12, to appear].

Using discrete multi-physics for detailed exploration of hydrodynamics in an in vitro colon system.

PubMed

Alexiadis, A; Stamatopoulos, K; Wen, W; Batchelor, H K; Bakalis, S; Barigou, M; Simmons, M J H

2017-02-01

We developed a mathematical model that describes the motion of viscous fluids in the partially-filled colon caused by the periodic contractions of flexible walls (peristalsis). In-vitro data are used to validate the model. The model is then used to identify two fundamental mechanisms of mass transport: the surfing mode and the pouring mode. The first mechanism is faster, but only involves the surface of the liquid. The second mechanism causes deeper mixing, and appears to be the main transport mechanism. Based on the gained understanding, we propose a series of measures that can improve the reliability of in-vitro models. The tracer in PET-like experiments, in particular, should not be injected in the first pocket, and its viscosity should be as close as possible to that of the fluid. If these conditions are not met, the dynamics of the tracer and the fluid diverge, compromising the accuracy of the in-vitro data. Copyright © 2017 Elsevier Ltd. All rights reserved.

SEAWAT-based simulation of axisymmetric heat transport.

PubMed

Vandenbohede, Alexander; Louwyck, Andy; Vlamynck, Nele

2014-01-01

Simulation of heat transport has its applications in geothermal exploitation of aquifers and the analysis of temperature dependent chemical reactions. Under homogeneous conditions and in the absence of a regional hydraulic gradient, groundwater flow and heat transport from or to a well exhibit radial symmetry, and governing equations are reduced by one dimension (1D) which increases computational efficiency importantly. Solute transport codes can simulate heat transport and input parameters may be modified such that the Cartesian geometry can handle radial flow. In this article, SEAWAT is evaluated as simulator for heat transport under radial flow conditions. The 1971, 1D analytical solution of Gelhar and Collins is used to compare axisymmetric transport with retardation (i.e., as a result of thermal equilibrium between fluid and solid) and a large diffusion (conduction). It is shown that an axisymmetric simulation compares well with a fully three dimensional (3D) simulation of an aquifer thermal energy storage systems. The influence of grid discretization, solver parameters, and advection solution is illustrated. Because of the high diffusion to simulate conduction, convergence criterion for heat transport must be set much smaller (10(-10) ) than for solute transport (10(-6) ). Grid discretization should be considered carefully, in particular the subdivision of the screen interval. On the other hand, different methods to calculate the pumping or injection rate distribution over different nodes of a multilayer well lead to small differences only. © 2013, National Ground Water Association.

Eigenvector centrality for geometric and topological characterization of porous media

NASA Astrophysics Data System (ADS)

Jimenez-Martinez, Joaquin; Negre, Christian F. A.

2017-07-01

Solving flow and transport through complex geometries such as porous media is computationally difficult. Such calculations usually involve the solution of a system of discretized differential equations, which could lead to extreme computational cost depending on the size of the domain and the accuracy of the model. Geometric simplifications like pore networks, where the pores are represented by nodes and the pore throats by edges connecting pores, have been proposed. These models, despite their ability to preserve the connectivity of the medium, have difficulties capturing preferential paths (high velocity) and stagnation zones (low velocity), as they do not consider the specific relations between nodes. Nonetheless, network theory approaches, where a complex network is a graph, can help to simplify and better understand fluid dynamics and transport in porous media. Here we present an alternative method to address these issues based on eigenvector centrality, which has been corrected to overcome the centralization problem and modified to introduce a bias in the centrality distribution along a particular direction to address the flow and transport anisotropy in porous media. We compare the model predictions with millifluidic transport experiments, which shows that, albeit simple, this technique is computationally efficient and has potential for predicting preferential paths and stagnation zones for flow and transport in porous media. We propose to use the eigenvector centrality probability distribution to compute the entropy as an indicator of the "mixing capacity" of the system.

United States Marine Corps Motor Transport Mechanic-to-Equipment Ratio

DTIC Science & Technology

time motor transport equipment remains in maintenance at the organizational command level. This thesis uses a discrete event simulation model of the...applied to a single experiment that allows for assessment of risk of not achieving the objective. Inter-arrival time, processing time, work schedule

A Vertically Lagrangian Finite-Volume Dynamical Core for Global Models

NASA Technical Reports Server (NTRS)

Lin, Shian-Jiann

2003-01-01

A finite-volume dynamical core with a terrain-following Lagrangian control-volume discretization is described. The vertically Lagrangian discretization reduces the dimensionality of the physical problem from three to two with the resulting dynamical system closely resembling that of the shallow water dynamical system. The 2D horizontal-to-Lagrangian-surface transport and dynamical processes are then discretized using the genuinely conservative flux-form semi-Lagrangian algorithm. Time marching is split- explicit, with large-time-step for scalar transport, and small fractional time step for the Lagrangian dynamics, which permits the accurate propagation of fast waves. A mass, momentum, and total energy conserving algorithm is developed for mapping the state variables periodically from the floating Lagrangian control-volume to an Eulerian terrain-following coordinate for dealing with physical parameterizations and to prevent severe distortion of the Lagrangian surfaces. Deterministic baroclinic wave growth tests and long-term integrations using the Held-Suarez forcing are presented. Impact of the monotonicity constraint is discussed.

An implicit numerical model for multicomponent compressible two-phase flow in porous media

NASA Astrophysics Data System (ADS)

Zidane, Ali; Firoozabadi, Abbas

2015-11-01

We introduce a new implicit approach to model multicomponent compressible two-phase flow in porous media with species transfer between the phases. In the implicit discretization of the species transport equation in our formulation we calculate for the first time the derivative of the molar concentration of component i in phase α (cα, i) with respect to the total molar concentration (ci) under the conditions of a constant volume V and temperature T. The species transport equation is discretized by the finite volume (FV) method. The fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides the pressure at grid-cell interfaces in addition to the pressure at the grid-cell center. The efficiency of the proposed model is demonstrated by comparing our results with three existing implicit compositional models. Our algorithm has low numerical dispersion despite the fact it is based on first-order space discretization. The proposed algorithm is very robust.

Verification of Three Dimensional Triangular Prismatic Discrete Ordinates Transport Code ENSEMBLE-TRIZ by Comparison with Monte Carlo Code GMVP

NASA Astrophysics Data System (ADS)

Homma, Yuto; Moriwaki, Hiroyuki; Ohki, Shigeo; Ikeda, Kazumi

2014-06-01

This paper deals with verification of three dimensional triangular prismatic discrete ordinates transport calculation code ENSEMBLE-TRIZ by comparison with multi-group Monte Carlo calculation code GMVP in a large fast breeder reactor. The reactor is a 750 MWe electric power sodium cooled reactor. Nuclear characteristics are calculated at beginning of cycle of an initial core and at beginning and end of cycle of equilibrium core. According to the calculations, the differences between the two methodologies are smaller than 0.0002 Δk in the multi-plication factor, relatively about 1% in the control rod reactivity, and 1% in the sodium void reactivity.

An Unsplit Monte-Carlo solver for the resolution of the linear Boltzmann equation coupled to (stiff) Bateman equations

NASA Astrophysics Data System (ADS)

Bernede, Adrien; Poëtte, Gaël

2018-02-01

In this paper, we are interested in the resolution of the time-dependent problem of particle transport in a medium whose composition evolves with time due to interactions. As a constraint, we want to use of Monte-Carlo (MC) scheme for the transport phase. A common resolution strategy consists in a splitting between the MC/transport phase and the time discretization scheme/medium evolution phase. After going over and illustrating the main drawbacks of split solvers in a simplified configuration (monokinetic, scalar Bateman problem), we build a new Unsplit MC (UMC) solver improving the accuracy of the solutions, avoiding numerical instabilities, and less sensitive to time discretization. The new solver is essentially based on a Monte Carlo scheme with time dependent cross sections implying the on-the-fly resolution of a reduced model for each MC particle describing the time evolution of the matter along their flight path.

Design of Unstructured Adaptive (UA) NAS Parallel Benchmark Featuring Irregular, Dynamic Memory Accesses

NASA Technical Reports Server (NTRS)

Feng, Hui-Yu; VanderWijngaart, Rob; Biswas, Rupak; Biegel, Bryan (Technical Monitor)

2001-01-01

We describe the design of a new method for the measurement of the performance of modern computer systems when solving scientific problems featuring irregular, dynamic memory accesses. The method involves the solution of a stylized heat transfer problem on an unstructured, adaptive grid. A Spectral Element Method (SEM) with an adaptive, nonconforming mesh is selected to discretize the transport equation. The relatively high order of the SEM lowers the fraction of wall clock time spent on inter-processor communication, which eases the load balancing task and allows us to concentrate on the memory accesses. The benchmark is designed to be three-dimensional. Parallelization and load balance issues of a reference implementation will be described in detail in future reports.

The bacterial segrosome: a dynamic nucleoprotein machine for DNA trafficking and segregation.

PubMed

Hayes, Finbarr; Barillà, Daniela

2006-02-01

The genomes of unicellular and multicellular organisms must be partitioned equitably in coordination with cytokinesis to ensure faithful transmission of duplicated genetic material to daughter cells. Bacteria use sophisticated molecular mechanisms to guarantee accurate segregation of both plasmids and chromosomes at cell division. Plasmid segregation is most commonly mediated by a Walker-type ATPase and one of many DNA-binding proteins that assemble on a cis-acting centromere to form a nucleoprotein complex (the segrosome) that mediates intracellular plasmid transport. Bacterial chromosome segregation involves a multipartite strategy in which several discrete protein complexes potentially participate. Shedding light on the basis of genome segregation in bacteria could indicate new strategies aimed at combating pathogenic and antibiotic-resistant bacteria.

49 CFR 23.7 - Program reviews.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 1 2010-10-01 2010-10-01 false Program reviews. 23.7 Section 23.7 Transportation... CONCESSIONS General § 23.7 Program reviews. In 2010, and thereafter at the discretion of the Secretary, the Department will initiate a review of the ACDBE program to determine what, if any, modifications should be...

Analysis hierarchical model for discrete event systems

NASA Astrophysics Data System (ADS)

Ciortea, E. M.

2015-11-01

The This paper presents the hierarchical model based on discrete event network for robotic systems. Based on the hierarchical approach, Petri network is analysed as a network of the highest conceptual level and the lowest level of local control. For modelling and control of complex robotic systems using extended Petri nets. Such a system is structured, controlled and analysed in this paper by using Visual Object Net ++ package that is relatively simple and easy to use, and the results are shown as representations easy to interpret. The hierarchical structure of the robotic system is implemented on computers analysed using specialized programs. Implementation of hierarchical model discrete event systems, as a real-time operating system on a computer network connected via a serial bus is possible, where each computer is dedicated to local and Petri model of a subsystem global robotic system. Since Petri models are simplified to apply general computers, analysis, modelling, complex manufacturing systems control can be achieved using Petri nets. Discrete event systems is a pragmatic tool for modelling industrial systems. For system modelling using Petri nets because we have our system where discrete event. To highlight the auxiliary time Petri model using transport stream divided into hierarchical levels and sections are analysed successively. Proposed robotic system simulation using timed Petri, offers the opportunity to view the robotic time. Application of goods or robotic and transmission times obtained by measuring spot is obtained graphics showing the average time for transport activity, using the parameters sets of finished products. individually.

Optimization of Operations Resources via Discrete Event Simulation Modeling

NASA Technical Reports Server (NTRS)

Joshi, B.; Morris, D.; White, N.; Unal, R.

1996-01-01

The resource levels required for operation and support of reusable launch vehicles are typically defined through discrete event simulation modeling. Minimizing these resources constitutes an optimization problem involving discrete variables and simulation. Conventional approaches to solve such optimization problems involving integer valued decision variables are the pattern search and statistical methods. However, in a simulation environment that is characterized by search spaces of unknown topology and stochastic measures, these optimization approaches often prove inadequate. In this paper, we have explored the applicability of genetic algorithms to the simulation domain. Genetic algorithms provide a robust search strategy that does not require continuity and differentiability of the problem domain. The genetic algorithm successfully minimized the operation and support activities for a space vehicle, through a discrete event simulation model. The practical issues associated with simulation optimization, such as stochastic variables and constraints, were also taken into consideration.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robinson, Judith; Johnson, Timothy C.; Slater, Lee D.

There is an increasing need to characterize discrete fractures away from boreholes to better define fracture distributions and monitor solute transport. We performed a 3D evaluation of static and time-lapse cross-borehole electrical resistivity tomography (ERT) data sets from a limestone quarry in which flow and transport are controlled by a bedding-plane feature. Ten boreholes were discretized using an unstructured tetrahedral mesh, and 2D panel measurements were inverted for a 3D distribution of conductivity. We evaluated the benefits of 3D versus 2.5D inversion of ERT data in fractured rock while including the use of borehole regularization disconnects (BRDs) and borehole conductivitymore » constraints. High-conductivity halos (inversion artifacts) surrounding boreholes were removed in static images when BRDs and borehole conductivity constraints were implemented. Furthermore, applying these constraints focused transient changes in conductivity resulting from solute transport on the bedding plane, providing a more physically reasonable model for conductivity changes associated with solute transport at this fractured rock site. Assuming bedding-plane continuity between fractures identified in borehole televiewer data, we discretized a planar region between six boreholes and applied a fracture regularization disconnect (FRD). Although the FRD appropriately focused conductivity changes on the bedding plane, the conductivity distribution within the discretized fracture was nonunique and dependent on the starting homogeneous model conductivity. Synthetic studies performed to better explain field observations showed that inaccurate electrode locations in boreholes resulted in low-conductivity halos surrounding borehole locations. These synthetic studies also showed that the recovery of the true conductivity within an FRD depended on the conductivity contrast between the host rock and fractures. Our findings revealed that the potential exists to improve imaging of fractured rock through 3D inversion and accurate modeling of boreholes. However, deregularization of localized features can result in significant electrical conductivity artifacts, especially when representing features with a high degree of spatial uncertainty.« less

Faster and more accurate transport procedures for HZETRN

NASA Astrophysics Data System (ADS)

Slaba, T. C.; Blattnig, S. R.; Badavi, F. F.

2010-12-01

The deterministic transport code HZETRN was developed for research scientists and design engineers studying the effects of space radiation on astronauts and instrumentation protected by various shielding materials and structures. In this work, several aspects of code verification are examined. First, a detailed derivation of the light particle ( A ⩽ 4) and heavy ion ( A > 4) numerical marching algorithms used in HZETRN is given. References are given for components of the derivation that already exist in the literature, and discussions are given for details that may have been absent in the past. The present paper provides a complete description of the numerical methods currently used in the code and is identified as a key component of the verification process. Next, a new numerical method for light particle transport is presented, and improvements to the heavy ion transport algorithm are discussed. A summary of round-off error is also given, and the impact of this error on previously predicted exposure quantities is shown. Finally, a coupled convergence study is conducted by refining the discretization parameters (step-size and energy grid-size). From this study, it is shown that past efforts in quantifying the numerical error in HZETRN were hindered by single precision calculations and computational resources. It is determined that almost all of the discretization error in HZETRN is caused by the use of discretization parameters that violate a numerical convergence criterion related to charged target fragments below 50 AMeV. Total discretization errors are given for the old and new algorithms to 100 g/cm 2 in aluminum and water, and the improved accuracy of the new numerical methods is demonstrated. Run time comparisons between the old and new algorithms are given for one, two, and three layer slabs of 100 g/cm 2 of aluminum, polyethylene, and water. The new algorithms are found to be almost 100 times faster for solar particle event simulations and almost 10 times faster for galactic cosmic ray simulations.

Faster and more accurate transport procedures for HZETRN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Slaba, T.C., E-mail: Tony.C.Slaba@nasa.go; Blattnig, S.R., E-mail: Steve.R.Blattnig@nasa.go; Badavi, F.F., E-mail: Francis.F.Badavi@nasa.go

The deterministic transport code HZETRN was developed for research scientists and design engineers studying the effects of space radiation on astronauts and instrumentation protected by various shielding materials and structures. In this work, several aspects of code verification are examined. First, a detailed derivation of the light particle (A {<=} 4) and heavy ion (A > 4) numerical marching algorithms used in HZETRN is given. References are given for components of the derivation that already exist in the literature, and discussions are given for details that may have been absent in the past. The present paper provides a complete descriptionmore » of the numerical methods currently used in the code and is identified as a key component of the verification process. Next, a new numerical method for light particle transport is presented, and improvements to the heavy ion transport algorithm are discussed. A summary of round-off error is also given, and the impact of this error on previously predicted exposure quantities is shown. Finally, a coupled convergence study is conducted by refining the discretization parameters (step-size and energy grid-size). From this study, it is shown that past efforts in quantifying the numerical error in HZETRN were hindered by single precision calculations and computational resources. It is determined that almost all of the discretization error in HZETRN is caused by the use of discretization parameters that violate a numerical convergence criterion related to charged target fragments below 50 AMeV. Total discretization errors are given for the old and new algorithms to 100 g/cm{sup 2} in aluminum and water, and the improved accuracy of the new numerical methods is demonstrated. Run time comparisons between the old and new algorithms are given for one, two, and three layer slabs of 100 g/cm{sup 2} of aluminum, polyethylene, and water. The new algorithms are found to be almost 100 times faster for solar particle event simulations and almost 10 times faster for galactic cosmic ray simulations.« less

Implementing ARFORGEN: Installation Capability and Feasibility Study of Meeting ARFORGEN Guidelines

DTIC Science & Technology

2007-07-26

aligning troop requirements with the Army’s new strategic mission, the force stabilization element of ARFORGEN was developed to raise the morale of...a discrete event simulation model developed for the project to mirror the reset process. The Unit Reset model is implemented in Java as a discrete...and transportation. Further, the typical installation support staff is manned by a Table of Distribution and Allowance ( TDA ) designed to

High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maginot, Peter G., E-mail: maginot1@llnl.gov; Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu; Morel, Jim E., E-mail: morel@tamu.edu

This work presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE PAGES

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

2016-09-29

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

Discrete Element Method Modeling of Bedload Transport: Towards a physics-based link between bed surface variability and particle entrainment statistics

NASA Astrophysics Data System (ADS)

Ghasemi, A.; Borhani, S.; Viparelli, E.; Hill, K. M.

2017-12-01

The Exner equation provides a formal mathematical link between sediment transport and bed morphology. It is typically represented in a discrete formulation where there is a sharp geometric interface between the bedload layer and the bed, below which no particles are entrained. For high temporally and spatially resolved models, this is strictly correct, but typically this is applied in such a way that spatial and temporal fluctuations in the bed surface (bedforms and otherwise) are not captured. This limits the extent to which the exchange between particles in transport and the sediment bed are properly represented, particularly problematic for mixed grain size distributions that exhibit segregation. Nearly two decades ago, Parker (2000) provided a framework for a solution to this dilemma in the form of a probabilistic Exner equation, partially experimentally validated by Wong et al. (2007). We present a computational study designed to develop a physics-based framework for understanding the interplay between physical parameters of the bed and flow and parameters in the Parker (2000) probabilistic formulation. To do so we use Discrete Element Method simulations to relate local time-varying parameters to long-term macroscopic parameters. These include relating local grain size distribution and particle entrainment and deposition rates to long- average bed shear stress and the standard deviation of bed height variations. While relatively simple, these simulations reproduce long-accepted empirically determined transport behaviors such as the Meyer-Peter and Muller (1948) relationship. We also find that these simulations reproduce statistical relationships proposed by Wong et al. (2007) such as a Gaussian distribution of bed heights whose standard deviation increases with increasing bed shear stress. We demonstrate how the ensuing probabilistic formulations provide insight into the transport and deposition of both narrow and wide grain size distribution.

MCNP (Monte Carlo Neutron Photon) capabilities for nuclear well logging calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. The general-purpose continuous-energy Monte Carlo code MCNP (Monte Carlo Neutron Photon), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tally characteristics with standard MCNP features. The time-dependent capabilitymore » of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data. A rich collections of variance reduction features can greatly increase the efficiency of a calculation. MCNP is written in FORTRAN 77 and has been run on variety of computer systems from scientific workstations to supercomputers. The next production version of MCNP will include features such as continuous-energy electron transport and a multitasking option. Areas of ongoing research of interest to the well logging community include angle biasing, adaptive Monte Carlo, improved discrete ordinates capabilities, and discrete ordinates/Monte Carlo hybrid development. Los Alamos has requested approval by the Department of Energy to create a Radiation Transport Computational Facility under their User Facility Program to increase external interactions with industry, universities, and other government organizations. 21 refs.« less

Energy Criterion for the Spectral Stability of Discrete Breathers.

PubMed

Kevrekidis, Panayotis G; Cuevas-Maraver, Jesús; Pelinovsky, Dmitry E

2016-08-26

Discrete breathers are ubiquitous structures in nonlinear anharmonic models ranging from the prototypical example of the Fermi-Pasta-Ulam model to Klein-Gordon nonlinear lattices, among many others. We propose a general criterion for the emergence of instabilities of discrete breathers analogous to the well-established Vakhitov-Kolokolov criterion for solitary waves. The criterion involves the change of monotonicity of the discrete breather's energy as a function of the breather frequency. Our analysis suggests and numerical results corroborate that breathers with increasing (decreasing) energy-frequency dependence are generically unstable in soft (hard) nonlinear potentials.

A discrete mathematical model of the dynamic evolution of a transportation network

NASA Astrophysics Data System (ADS)

Malinetskii, G. G.; Stepantsov, M. E.

2009-09-01

A dynamic model of the evolution of a transportation network is proposed. The main feature of this model is that the evolution of the transportation network is not a process of centralized transportation optimization. Rather, its dynamic behavior is a result of the system self-organization that occurs in the course of the satisfaction of needs in goods transportation and the evolution of the infrastructure of the network nodes. Nonetheless, the possibility of soft control of the network evolution direction is taken into account.

Renormalized vibrations and normal energy transport in 1d FPU-like discrete nonlinear Schrödinger equations.

PubMed

Li, Simeng; Li, Nianbei

2018-03-28

For one-dimensional (1d) nonlinear atomic lattices, the models with on-site nonlinearities such as the Frenkel-Kontorova (FK) and ϕ 4 lattices have normal energy transport while the models with inter-site nonlinearities such as the Fermi-Pasta-Ulam-β (FPU-β) lattice exhibit anomalous energy transport. The 1d Discrete Nonlinear Schrödinger (DNLS) equations with on-site nonlinearities has been previously studied and normal energy transport has also been found. Here, we investigate the energy transport of 1d FPU-like DNLS equations with inter-site nonlinearities. Extended from the FPU-β lattice, the renormalized vibration theory is developed for the FPU-like DNLS models and the predicted renormalized vibrations are verified by direct numerical simulations same as the FPU-β lattice. However, the energy diffusion processes are explored and normal energy transport is observed for the 1d FPU-like DNLS models, which is different from their atomic lattice counterpart of FPU-β lattice. The reason might be that, unlike nonlinear atomic lattices where models with on-site nonlinearities have one less conserved quantities than the models with inter-site nonlinearities, the DNLS models with on-site or inter-site nonlinearities have the same number of conserved quantities as the result of gauge transformation.

A Least-Squares Transport Equation Compatible with Voids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, Jon; Peterson, Jacob; Morel, Jim

Standard second-order self-adjoint forms of the transport equation, such as the even-parity, odd-parity, and self-adjoint angular flux equation, cannot be used in voids. Perhaps more important, they experience numerical convergence difficulties in near-voids. Here we present a new form of a second-order self-adjoint transport equation that has an advantage relative to standard forms in that it can be used in voids or near-voids. Our equation is closely related to the standard least-squares form of the transport equation with both equations being applicable in a void and having a nonconservative analytic form. However, unlike the standard least-squares form of the transportmore » equation, our least-squares equation is compatible with source iteration. It has been found that the standard least-squares form of the transport equation with a linear-continuous finite-element spatial discretization has difficulty in the thick diffusion limit. Here we extensively test the 1D slab-geometry version of our scheme with respect to void solutions, spatial convergence rate, and the intermediate and thick diffusion limits. We also define an effective diffusion synthetic acceleration scheme for our discretization. Our conclusion is that our least-squares S n formulation represents an excellent alternative to existing second-order S n transport formulations« less

Intermittency inhibited by transport: An exactly solvable model

NASA Astrophysics Data System (ADS)

Zanette, Damián H.

1994-04-01

Transport is incorporated in a discrete-time stochastic model of a system undergoing autocatalytic reactions of the type A-->2A and A-->0, whose population field is known to exhibit spatiotemporal intermittency. The temporal evolution is exactly solved, and it is shown that if the transport process is strong enough, intermittency is inhibited. This inhibition is nonuniform, in the sense that, as transport is strengthened, low-order population moments are affected before the high-order ones. Numerical simulations are presented to support the analytical results.

Laminar-flow wind tunnel experiments

NASA Technical Reports Server (NTRS)

Harvey, William D.; Harris, Charles D.; Sewall, William G.; Stack, John P.

1989-01-01

Although most of the laminar flow airfoils recently developed at the NASA Langley Research Center were intended for general aviation applications, low-drag airfoils were designed for transonic speeds and wind tunnel performance tested. The objective was to extend the technology of laminar flow to higher Mach and Reynolds numbers and to swept leading edge wings representative of transport aircraft to achieve lower drag and significantly improved operation costs. This research involves stabilizing the laminar boundary layer through geometric shaping (Natural Laminar Flow, NLF) and active control involving the removal of a portion of the laminar boundary layer (Laminar-Flow Control, LFC), either through discrete slots or perforated surface. Results show that extensive regions of laminar flow with large reductions in skin friction drag can be maintained through the application of passive NLF boundary-layer control technologies to unswept transonic wings. At even greater extent of laminar flow and reduction in the total drag level can be obtained on a swept supercritical airfoil with active boundary layer-control.

A Numerical Modeling Framework for Cohesive Sediment Transport Driven by Waves and Tidal Currents

DTIC Science & Technology

2012-09-30

for sediment transport. The successful extension to multi-dimensions is benefited from an open-source CFD package, OpenFOAM (www.openfoam.org). This...linz.at/Drupal/), which couples the fluid solver OpenFOAM with the Discrete Element Model (DEM) solver LIGGGHTS (an improved LAMMPS for granular flow

Quantum transport with long-range steps on Watts-Strogatz networks

NASA Astrophysics Data System (ADS)

Wang, Yan; Xu, Xin-Jian

2016-07-01

We study transport dynamics of quantum systems with long-range steps on the Watts-Strogatz network (WSN) which is generated by rewiring links of the regular ring. First, we probe physical systems modeled by the discrete nonlinear schrödinger (DNLS) equation. Using the localized initial condition, we compute the time-averaged occupation probability of the initial site, which is related to the nonlinearity, the long-range steps and rewiring links. Self-trapping transitions occur at large (small) nonlinear parameters for coupling ɛ=-1 (1), as long-range interactions are intensified. The structure disorder induced by random rewiring, however, has dual effects for ɛ=-1 and inhibits the self-trapping behavior for ɛ=1. Second, we investigate continuous-time quantum walks (CTQW) on the regular ring ruled by the discrete linear schrödinger (DLS) equation. It is found that only the presence of the long-range steps does not affect the efficiency of the coherent exciton transport, while only the allowance of random rewiring enhances the partial localization. If both factors are considered simultaneously, localization is greatly strengthened, and the transport becomes worse.

Coupling of Coastal Wave Transformation and Computational Fluid Dynamics Models for Seakeeping Analysis

DTIC Science & Technology

2017-04-03

setup in terms of temporal and spatial discretization . The second component was an extension of existing depth-integrated wave models to describe...equations (Abbott, 1976). Discretization schemes involve numerical dispersion and dissipation that distort the true character of the governing equations...represent a leading-order approximation of the Boussinesq-type equations. Tam and Webb (1993) proposed a wavenumber-based discretization scheme to preserve

A general population-genetic model for the production by population structure of spurious genotype-phenotype associations in discrete, admixed or spatially distributed populations.

PubMed

Rosenberg, Noah A; Nordborg, Magnus

2006-07-01

In linkage disequilibrium mapping of genetic variants causally associated with phenotypes, spurious associations can potentially be generated by any of a variety of types of population structure. However, mathematical theory of the production of spurious associations has largely been restricted to population structure models that involve the sampling of individuals from a collection of discrete subpopulations. Here, we introduce a general model of spurious association in structured populations, appropriate whether the population structure involves discrete groups, admixture among such groups, or continuous variation across space. Under the assumptions of the model, we find that a single common principle--applicable to both the discrete and admixed settings as well as to spatial populations--gives a necessary and sufficient condition for the occurrence of spurious associations. Using a mathematical connection between the discrete and admixed cases, we show that in admixed populations, spurious associations are less severe than in corresponding mixtures of discrete subpopulations, especially when the variance of admixture across individuals is small. This observation, together with the results of simulations that examine the relative influences of various model parameters, has important implications for the design and analysis of genetic association studies in structured populations.

Implementation Strategies for Large-Scale Transport Simulations Using Time Domain Particle Tracking

NASA Astrophysics Data System (ADS)

Painter, S.; Cvetkovic, V.; Mancillas, J.; Selroos, J.

2008-12-01

Time domain particle tracking is an emerging alternative to the conventional random walk particle tracking algorithm. With time domain particle tracking, particles are moved from node to node on one-dimensional pathways defined by streamlines of the groundwater flow field or by discrete subsurface features. The time to complete each deterministic segment is sampled from residence time distributions that include the effects of advection, longitudinal dispersion, a variety of kinetically controlled retention (sorption) processes, linear transformation, and temporal changes in groundwater velocities and sorption parameters. The simulation results in a set of arrival times at a monitoring location that can be post-processed with a kernel method to construct mass discharge (breakthrough) versus time. Implementation strategies differ for discrete flow (fractured media) systems and continuous porous media systems. The implementation strategy also depends on the scale at which hydraulic property heterogeneity is represented in the supporting flow model. For flow models that explicitly represent discrete features (e.g., discrete fracture networks), the sampling of residence times along segments is conceptually straightforward. For continuous porous media, such sampling needs to be related to the Lagrangian velocity field. Analytical or semi-analytical methods may be used to approximate the Lagrangian segment velocity distributions in aquifers with low-to-moderate variability, thereby capturing transport effects of subgrid velocity variability. If variability in hydraulic properties is large, however, Lagrangian velocity distributions are difficult to characterize and numerical simulations are required; in particular, numerical simulations are likely to be required for estimating the velocity integral scale as a basis for advective segment distributions. Aquifers with evolving heterogeneity scales present additional challenges. Large-scale simulations of radionuclide transport at two potential repository sites for high-level radioactive waste will be used to demonstrate the potential of the method. The simulations considered approximately 1000 source locations, multiple radionuclides with contrasting sorption properties, and abrupt changes in groundwater velocity associated with future glacial scenarios. Transport pathways linking the source locations to the accessible environment were extracted from discrete feature flow models that include detailed representations of the repository construction (tunnels, shafts, and emplacement boreholes) embedded in stochastically generated fracture networks. Acknowledgment The authors are grateful to SwRI Advisory Committee for Research, the Swedish Nuclear Fuel and Waste Management Company, and Posiva Oy for financial support.

Discrete breathers in graphane: Effect of temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baimova, J. A., E-mail: julia.a.baimova@gmail.com; Murzaev, R. T.; Lobzenko, I. P.

The discrete breathers in graphane in thermodynamic equilibrium in the temperature range 50–600 K are studied by molecular dynamics simulation. A discrete breather is a hydrogen atom vibrating along the normal to a sheet of graphane at a high amplitude. As was found earlier, the lifetime of a discrete breather at zero temperature corresponds to several tens of thousands of vibrations. The effect of temperature on the decay time of discrete breathers and the probability of their detachment from a sheet of graphane are studied in this work. It is shown that closely spaced breathers can exchange energy with eachmore » other at zero temperature. The data obtained suggest that thermally activated discrete breathers can be involved in the dehydrogenation of graphane, which is important for hydrogen energetics.« less

Optimal perturbations for nonlinear systems using graph-based optimal transport

NASA Astrophysics Data System (ADS)

Grover, Piyush; Elamvazhuthi, Karthik

2018-06-01

We formulate and solve a class of finite-time transport and mixing problems in the set-oriented framework. The aim is to obtain optimal discrete-time perturbations in nonlinear dynamical systems to transport a specified initial measure on the phase space to a final measure in finite time. The measure is propagated under system dynamics in between the perturbations via the associated transfer operator. Each perturbation is described by a deterministic map in the measure space that implements a version of Monge-Kantorovich optimal transport with quadratic cost. Hence, the optimal solution minimizes a sum of quadratic costs on phase space transport due to the perturbations applied at specified times. The action of the transport map is approximated by a continuous pseudo-time flow on a graph, resulting in a tractable convex optimization problem. This problem is solved via state-of-the-art solvers to global optimality. We apply this algorithm to a problem of transport between measures supported on two disjoint almost-invariant sets in a chaotic fluid system, and to a finite-time optimal mixing problem by choosing the final measure to be uniform. In both cases, the optimal perturbations are found to exploit the phase space structures, such as lobe dynamics, leading to efficient global transport. As the time-horizon of the problem is increased, the optimal perturbations become increasingly localized. Hence, by combining the transfer operator approach with ideas from the theory of optimal mass transportation, we obtain a discrete-time graph-based algorithm for optimal transport and mixing in nonlinear systems.

Transport of phase space densities through tetrahedral meshes using discrete flow mapping

NASA Astrophysics Data System (ADS)

Bajars, Janis; Chappell, David J.; Søndergaard, Niels; Tanner, Gregor

2017-01-01

Discrete flow mapping was recently introduced as an efficient ray based method determining wave energy distributions in complex built up structures. Wave energy densities are transported along ray trajectories through polygonal mesh elements using a finite dimensional approximation of a ray transfer operator. In this way the method can be viewed as a smoothed ray tracing method defined over meshed surfaces. Many applications require the resolution of wave energy distributions in three-dimensional domains, such as in room acoustics, underwater acoustics and for electromagnetic cavity problems. In this work we extend discrete flow mapping to three-dimensional domains by propagating wave energy densities through tetrahedral meshes. The geometric simplicity of the tetrahedral mesh elements is utilised to efficiently compute the ray transfer operator using a mixture of analytic and spectrally accurate numerical integration. The important issue of how to choose a suitable basis approximation in phase space whilst maintaining a reasonable computational cost is addressed via low order local approximations on tetrahedral faces in the position coordinate and high order orthogonal polynomial expansions in momentum space.

An implementation of discrete electron transport models for gold in the Geant4 simulation toolkit

NASA Astrophysics Data System (ADS)

Sakata, D.; Incerti, S.; Bordage, M. C.; Lampe, N.; Okada, S.; Emfietzoglou, D.; Kyriakou, I.; Murakami, K.; Sasaki, T.; Tran, H.; Guatelli, S.; Ivantchenko, V. N.

2016-12-01

Gold nanoparticle (GNP) boosted radiation therapy can enhance the biological effectiveness of radiation treatments by increasing the quantity of direct and indirect radiation-induced cellular damage. As the physical effects of GNP boosted radiotherapy occur across energy scales that descend down to 10 eV, Monte Carlo simulations require discrete physics models down to these very low energies in order to avoid underestimating the absorbed dose and secondary particle generation. Discrete physics models for electron transportation down to 10 eV have been implemented within the Geant4-DNA low energy extension of Geant4. Such models allow the investigation of GNP effects at the nanoscale. At low energies, the new models have better agreement with experimental data on the backscattering coefficient, and they show similar performance for transmission coefficient data as the Livermore and Penelope models already implemented in Geant4. These new models are applicable in simulations focussed towards estimating the relative biological effectiveness of radiation in GNP boosted radiotherapy applications with photon and electron radiation sources.

Discontinuous finite volume element discretization for coupled flow-transport problems arising in models of sedimentation

NASA Astrophysics Data System (ADS)

Bürger, Raimund; Kumar, Sarvesh; Ruiz-Baier, Ricardo

2015-10-01

The sedimentation-consolidation and flow processes of a mixture of small particles dispersed in a viscous fluid at low Reynolds numbers can be described by a nonlinear transport equation for the solids concentration coupled with the Stokes problem written in terms of the mixture flow velocity and the pressure field. Here both the viscosity and the forcing term depend on the local solids concentration. A semi-discrete discontinuous finite volume element (DFVE) scheme is proposed for this model. The numerical method is constructed on a baseline finite element family of linear discontinuous elements for the approximation of velocity components and concentration field, whereas the pressure is approximated by piecewise constant elements. The unique solvability of both the nonlinear continuous problem and the semi-discrete DFVE scheme is discussed, and optimal convergence estimates in several spatial norms are derived. Properties of the model and the predicted space accuracy of the proposed formulation are illustrated by detailed numerical examples, including flows under gravity with changing direction, a secondary settling tank in an axisymmetric setting, and batch sedimentation in a tilted cylindrical vessel.

Discrete-Roughness-Element-Enhanced Swept-Wing Natural Laminar Flow at High Reynolds Numbers

NASA Technical Reports Server (NTRS)

Malik, Mujeeb; Liao, Wei; Li, Fei; Choudhari, Meelan

2015-01-01

Nonlinear parabolized stability equations and secondary-instability analyses are used to provide a computational assessment of the potential use of the discrete-roughness-element technology for extending swept-wing natural laminar flow at chord Reynolds numbers relevant to transport aircraft. Computations performed for the boundary layer on a natural-laminar-flow airfoil with a leading-edge sweep angle of 34.6 deg, freestream Mach number of 0.75, and chord Reynolds numbers of 17 × 10(exp 6), 24 × 10(exp 6), and 30 × 10(exp 6) suggest that discrete roughness elements could delay laminar-turbulent transition by about 20% when transition is caused by stationary crossflow disturbances. Computations show that the introduction of small-wavelength stationary crossflow disturbances (i.e., discrete roughness element) also suppresses the growth of most amplified traveling crossflow disturbances.

Redesigning Channel-Forming Peptides: Amino Acid Substitutions that Enhance Rates of Supramolecular Self-Assembly and Raise Ion Transport Activity

PubMed Central

Shank, Lalida P.; Broughman, James R.; Takeguchi, Wade; Cook, Gabriel; Robbins, Ashley S.; Hahn, Lindsey; Radke, Gary; Iwamoto, Takeo; Schultz, Bruce D.; Tomich, John M.

2006-01-01

Three series of 22-residue peptides derived from the transmembrane M2 segment of the glycine receptor α1-subunit (M2GlyR) have been designed, synthesized, and tested to determine the plasticity of a channel-forming sequence and to define whether channel pores with enhanced conductive properties could be created. Sixteen sequences were examined for aqueous solubility, solution-association tendency, secondary structure, and half-maximal concentration for supramolecular assembly, channel activity, and ion transport properties across epithelial monolayers. All peptides interact strongly with membranes: associating with, inserting across, and assembling to form homooligomeric bundles when in micromolar concentrations. Single and double amino acid replacements involving arginine and/or aromatic amino acids within the final five C-terminal residues of the peptide cause dramatic effects on the concentration dependence, yielding a range of K1/2 values from 36 ± 5 to 390 ± 220 μM for transport activity. New water/lipid interfacial boundaries were established for the transmembrane segment using charged or aromatic amino acids, thus limiting the peptides' ability to move perpendicularly to the plane of the bilayer. Formation of discrete water/lipid interfacial boundaries appears to be necessary for efficient supramolecular assembly and high anion transport activity. A peptide sequence is identified that may show efficacy in channel replacement therapy for channelopathies such as cystic fibrosis. PMID:16387776

A Generalization Strategy for Discrete Area Feature by Using Stroke Grouping and Polarization Transportation Selection

NASA Astrophysics Data System (ADS)

Wang, Xiao; Burghardt, Dirk

2018-05-01

This paper presents a new strategy for the generalization of discrete area features by using stroke grouping method and polarization transportation selection. The mentioned stroke is constructed on derive of the refined proximity graph of area features, and the refinement is under the control of four constraints to meet different grouping requirements. The area features which belong to the same stroke are detected into the same group. The stroke-based strategy decomposes the generalization process into two sub-processes by judging whether the area features related to strokes or not. For the area features which belong to the same one stroke, they normally present a linear like pat-tern, and in order to preserve this kind of pattern, typification is chosen as the operator to implement the generalization work. For the remaining area features which are not related by strokes, they are still distributed randomly and discretely, and the selection is chosen to conduct the generalization operation. For the purpose of retaining their original distribution characteristic, a Polarization Transportation (PT) method is introduced to implement the selection operation. Buildings and lakes are selected as the representatives of artificial area feature and natural area feature respectively to take the experiments. The generalized results indicate that by adopting this proposed strategy, the original distribution characteristics of building and lake data can be preserved, and the visual perception is pre-served as before.

Mixed finite element - discontinuous finite volume element discretization of a general class of multicontinuum models

NASA Astrophysics Data System (ADS)

Ruiz-Baier, Ricardo; Lunati, Ivan

2016-10-01

We present a novel discretization scheme tailored to a class of multiphase models that regard the physical system as consisting of multiple interacting continua. In the framework of mixture theory, we consider a general mathematical model that entails solving a system of mass and momentum equations for both the mixture and one of the phases. The model results in a strongly coupled and nonlinear system of partial differential equations that are written in terms of phase and mixture (barycentric) velocities, phase pressure, and saturation. We construct an accurate, robust and reliable hybrid method that combines a mixed finite element discretization of the momentum equations with a primal discontinuous finite volume-element discretization of the mass (or transport) equations. The scheme is devised for unstructured meshes and relies on mixed Brezzi-Douglas-Marini approximations of phase and total velocities, on piecewise constant elements for the approximation of phase or total pressures, as well as on a primal formulation that employs discontinuous finite volume elements defined on a dual diamond mesh to approximate scalar fields of interest (such as volume fraction, total density, saturation, etc.). As the discretization scheme is derived for a general formulation of multicontinuum physical systems, it can be readily applied to a large class of simplified multiphase models; on the other, the approach can be seen as a generalization of these models that are commonly encountered in the literature and employed when the latter are not sufficiently accurate. An extensive set of numerical test cases involving two- and three-dimensional porous media are presented to demonstrate the accuracy of the method (displaying an optimal convergence rate), the physics-preserving properties of the mixed-primal scheme, as well as the robustness of the method (which is successfully used to simulate diverse physical phenomena such as density fingering, Terzaghi's consolidation, deformation of a cantilever bracket, and Boycott effects). The applicability of the method is not limited to flow in porous media, but can also be employed to describe many other physical systems governed by a similar set of equations, including e.g. multi-component materials.

Weighted interior penalty discretization of fully nonlinear and weakly dispersive free surface shallow water flows

NASA Astrophysics Data System (ADS)

Di Pietro, Daniele A.; Marche, Fabien

2018-02-01

In this paper, we further investigate the use of a fully discontinuous Finite Element discrete formulation for the study of shallow water free surface flows in the fully nonlinear and weakly dispersive flow regime. We consider a decoupling strategy in which we approximate the solutions of the classical shallow water equations supplemented with a source term globally accounting for the non-hydrostatic effects. This source term can be computed through the resolution of elliptic second-order linear sub-problems, which only involve second order partial derivatives in space. We then introduce an associated Symmetric Weighted Internal Penalty discrete bilinear form, allowing to deal with the discontinuous nature of the elliptic problem's coefficients in a stable and consistent way. Similar discrete formulations are also introduced for several recent optimized fully nonlinear and weakly dispersive models. These formulations are validated again several benchmarks involving h-convergence, p-convergence and comparisons with experimental data, showing optimal convergence properties.

Detergent-free purification of ABC (ATP-binding-cassette) transporters.

PubMed

Gulati, Sonali; Jamshad, Mohammed; Knowles, Timothy J; Morrison, Kerrie A; Downing, Rebecca; Cant, Natasha; Collins, Richard; Koenderink, Jan B; Ford, Robert C; Overduin, Michael; Kerr, Ian D; Dafforn, Timothy R; Rothnie, Alice J

2014-07-15

ABC (ATP-binding-cassette) transporters carry out many vital functions and are involved in numerous diseases, but study of the structure and function of these proteins is often hampered by their large size and membrane location. Membrane protein purification usually utilizes detergents to solubilize the protein from the membrane, effectively removing it from its native lipid environment. Subsequently, lipids have to be added back and detergent removed to reconstitute the protein into a lipid bilayer. In the present study, we present the application of a new methodology for the extraction and purification of ABC transporters without the use of detergent, instead, using a copolymer, SMA (polystyrene-co-maleic acid). SMA inserts into a bilayer and assembles into discrete particles, essentially solubilizing the membrane into small discs of bilayer encircled by a polymer, termed SMALPs (SMA lipid particles). We show that this polymer can extract several eukaryotic ABC transporters, P-glycoprotein (ABCB1), MRP1 (multidrug-resistance protein 1; ABCC1), MRP4 (ABCC4), ABCG2 and CFTR (cystic fibrosis transmembrane conductance regulator; ABCC7), from a range of different expression systems. The SMALP-encapsulated ABC transporters can be purified by affinity chromatography, and are able to bind ligands comparably with those in native membranes or detergent micelles. A greater degree of purity and enhanced stability is seen compared with detergent solubilization. The present study demonstrates that eukaryotic ABC transporters can be extracted and purified without ever being removed from their lipid bilayer environment, opening up a wide range of possibilities for the future study of their structure and function.

Implicitly causality enforced solution of multidimensional transient photon transport equation.

PubMed

Handapangoda, Chintha C; Premaratne, Malin

2009-12-21

A novel method for solving the multidimensional transient photon transport equation for laser pulse propagation in biological tissue is presented. A Laguerre expansion is used to represent the time dependency of the incident short pulse. Owing to the intrinsic causal nature of Laguerre functions, our technique automatically always preserve the causality constrains of the transient signal. This expansion of the radiance using a Laguerre basis transforms the transient photon transport equation to the steady state version. The resulting equations are solved using the discrete ordinates method, using a finite volume approach. Therefore, our method enables one to handle general anisotropic, inhomogeneous media using a single formulation but with an added degree of flexibility owing to the ability to invoke higher-order approximations of discrete ordinate quadrature sets. Therefore, compared with existing strategies, this method offers the advantage of representing the intensity with a high accuracy thus minimizing numerical dispersion and false propagation errors. The application of the method to one, two and three dimensional geometries is provided.

45 CFR 144.103 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... amounts paid for the purpose of affecting any structure or function of the body; (2) Transportation... period. Product means a discrete package of health insurance coverage benefits that a health insurance...

Tail shortening by discrete hydrodynamics

NASA Astrophysics Data System (ADS)

Kiefer, J.; Visscher, P. B.

1982-02-01

A discrete formulation of hydrodynamics was recently introduced, whose most important feature is that it is exactly renormalizable. Previous numerical work has found that it provides a more efficient and rapidly convergent method for calculating transport coefficients than the usual Green-Kubo method. The latter's convergence difficulties are due to the well-known "long-time tail" of the time correlation function which must be integrated over time. The purpose of the present paper is to present additional evidence that these difficulties are really absent in the discrete equation of motion approach. The "memory" terms in the equation of motion are calculated accurately, and shown to decay much more rapidly with time than the equilibrium time correlations do.

Discrete and continuous dynamics modeling of a mass moving on a flexible structure

NASA Technical Reports Server (NTRS)

Herman, Deborah Ann

1992-01-01

A general discrete methodology for modeling the dynamics of a mass that moves on the surface of a flexible structure is developed. This problem was motivated by the Space Station/Mobile Transporter system. A model reduction approach is developed to make the methodology applicable to large structural systems. To validate the discrete methodology, continuous formulations are also developed. Three different systems are examined: (1) simply-supported beam, (2) free-free beam, and (3) free-free beam with two points of contact between the mass and the flexible beam. In addition to validating the methodology, parametric studies were performed to examine how the system's physical properties affect its dynamics.

Discrete particle noise in a nonlinearly saturated plasma

NASA Astrophysics Data System (ADS)

Jenkins, Thomas; Lee, W. W.

2006-04-01

Understanding discrete particle noise in an equilibrium plasma has been an important topic since the early days of particle-in- cell (PIC) simulation [1]. In this paper, particle noise in a nonlinearly saturated system is investigated. We investigate the usefulness of the fluctuation-dissipation theorem (FDT) in a regime where drift instabilities are nonlinearly saturated. We obtain excellent agreement between the simulation results and our theoretical predictions of the noise properties. It is found that discrete particle noise always enhances the particle and thermal transport in the plasma, in agreement with the second law of thermodynamics. [1] C.K. Birdsall and A.B. Langdon, Plasma Physics via Computer Simulation, McGraw-Hill, New York (1985).

The problem of complex eigensystems in the semianalytical solution for advancement of time in solute transport simulations: a new method using real arithmetic

USGS Publications Warehouse

Umari, Amjad M.J.; Gorelick, Steven M.

1986-01-01

In the numerical modeling of groundwater solute transport, explicit solutions may be obtained for the concentration field at any future time without computing concentrations at intermediate times. The spatial variables are discretized and time is left continuous in the governing differential equation. These semianalytical solutions have been presented in the literature and involve the eigensystem of a coefficient matrix. This eigensystem may be complex (i.e., have imaginary components) due to the asymmetry created by the advection term in the governing advection-dispersion equation. Previous investigators have either used complex arithmetic to represent a complex eigensystem or chosen large dispersivity values for which the imaginary components of the complex eigenvalues may be ignored without significant error. It is shown here that the error due to ignoring the imaginary components of complex eigenvalues is large for small dispersivity values. A new algorithm that represents the complex eigensystem by converting it to a real eigensystem is presented. The method requires only real arithmetic.

Solutions of large-scale electromagnetics problems involving dielectric objects with the parallel multilevel fast multipole algorithm.

PubMed

Ergül, Özgür

2011-11-01

Fast and accurate solutions of large-scale electromagnetics problems involving homogeneous dielectric objects are considered. Problems are formulated with the electric and magnetic current combined-field integral equation and discretized with the Rao-Wilton-Glisson functions. Solutions are performed iteratively by using the multilevel fast multipole algorithm (MLFMA). For the solution of large-scale problems discretized with millions of unknowns, MLFMA is parallelized on distributed-memory architectures using a rigorous technique, namely, the hierarchical partitioning strategy. Efficiency and accuracy of the developed implementation are demonstrated on very large problems involving as many as 100 million unknowns.

It's Deja Vu All over Again: Using Multiple-Spell Discrete-Time Survival Analysis.

ERIC Educational Resources Information Center

Willett, John B.; Singer, Judith D.

1995-01-01

The multiple-spell discrete-time survival analysis method is introduced and illustrated using longitudinal data on exit from and reentry into the teaching profession. The method is applicable to many educational problems involving the sequential occurrence of disparate events or episodes. (SLD)

Is Accessing of Words Affected by Affective Valence Only? A Discrete Emotion View on the Emotional Congruency Effect

PubMed Central

Chen, Xuqian; Liu, Bo; Lin, Shouwen

2016-01-01

This paper advances the discussion on which emotion information affects word accessing. Emotion information, which is formed as a result of repeated experiences, is primary and necessary in learning and representing word meanings. Previous findings suggested that valence (i.e., positive or negative) denoted by words can be automatically activated and plays a role in many significant cognitive processes. However, there has been a lack of discussion about whether discrete emotion information (i.e., happiness, anger, sadness, and fear) is also involved in these processes. According to the hierarchy model, emotions are considered organized within an abstract-to-concrete hierarchy, in which emotion prototypes are organized following affective valence. By controlling different congruencies of emotion relations (i.e., matches or mismatches between valences and prototypes of emotion), the present study showed both an evaluative congruency effect (Experiment 1) and a discrete emotional congruency effect (Experiment 2). These findings indicate that not only affective valences but also discrete emotions can be activated under the present priming lexical decision task. However, the present findings also suggest that discrete emotions might be activated at the later priming stage as compared to valences. The present work provides evidence that information about discrete emotion could be involved in word processing. This might be a result of subjects’ embodied experiences. PMID:27379000

Is Accessing of Words Affected by Affective Valence Only? A Discrete Emotion View on the Emotional Congruency Effect.

PubMed

Chen, Xuqian; Liu, Bo; Lin, Shouwen

2016-01-01

This paper advances the discussion on which emotion information affects word accessing. Emotion information, which is formed as a result of repeated experiences, is primary and necessary in learning and representing word meanings. Previous findings suggested that valence (i.e., positive or negative) denoted by words can be automatically activated and plays a role in many significant cognitive processes. However, there has been a lack of discussion about whether discrete emotion information (i.e., happiness, anger, sadness, and fear) is also involved in these processes. According to the hierarchy model, emotions are considered organized within an abstract-to-concrete hierarchy, in which emotion prototypes are organized following affective valence. By controlling different congruencies of emotion relations (i.e., matches or mismatches between valences and prototypes of emotion), the present study showed both an evaluative congruency effect (Experiment 1) and a discrete emotional congruency effect (Experiment 2). These findings indicate that not only affective valences but also discrete emotions can be activated under the present priming lexical decision task. However, the present findings also suggest that discrete emotions might be activated at the later priming stage as compared to valences. The present work provides evidence that information about discrete emotion could be involved in word processing. This might be a result of subjects' embodied experiences.

Homeostatic scaling of vesicular glutamate and GABA transporter expression in rat neocortical circuits.

PubMed

De Gois, Stéphanie; Schäfer, Martin K-H; Defamie, Norah; Chen, Chu; Ricci, Anthony; Weihe, Eberhard; Varoqui, Hélène; Erickson, Jeffrey D

2005-08-03

Homeostatic control of pyramidal neuron firing rate involves a functional balance of feedforward excitation and feedback inhibition in neocortical circuits. Here, we reveal a dynamic scaling in vesicular excitatory (vesicular glutamate transporters VGLUT1 and VGLUT2) and inhibitory (vesicular inhibitory amino acid transporter VIAAT) transporter mRNA and synaptic protein expression in rat neocortical neuronal cultures, using a well established in vitro protocol to induce homeostatic plasticity. During the second and third week of synaptic differentiation, the predominant vesicular transporters expressed in neocortical neurons, VGLUT1 and VIAAT, are both dramatically upregulated. In mature cultures, VGLUT1 and VIAAT exhibit bidirectional and opposite regulation by prolonged activity changes. Endogenous coregulation during development and homeostatic scaling of the expression of the transporters in functionally differentiated cultures may serve to control vesicular glutamate and GABA filling and adjust functional presynaptic excitatory/inhibitory balance. Unexpectedly, hyperexcitation in differentiated cultures triggers a striking increase in VGLUT2 mRNA and synaptic protein, whereas decreased excitation reduces levels. VGLUT2 mRNA and protein are expressed in subsets of VGLUT1-encoded neocortical neurons that we identify in primary cultures and in neocortex in situ and in vivo. After prolonged hyperexcitation, downregulation of VGLUT1/synaptophysin intensity ratios at most synapses is observed, whereas a subset of VGLUT1-containing boutons selectively increase the expression of VGLUT2. Bidirectional and opposite regulation of VGLUT1 and VGLUT2 by activity may serve as positive or negative feedback regulators for cortical synaptic transmission. Intracortical VGLUT1/VGLUT2 coexpressing neurons have the capacity to independently modulate the level of expression of either transporter at discrete synapses and therefore may serve as a plastic interface between subcortical thalamic input (VGLUT2) and cortical output (VGLUT1) neurons.

Influence of transport uncertainty on annual mean and seasonal inversions of atmospheric CO2 data

NASA Astrophysics Data System (ADS)

Peylin, Philippe; Baker, David; Sarmiento, Jorge; Ciais, Philippe; Bousquet, Philippe

2002-10-01

Inversion methods are often used to estimate surface CO2 fluxes from atmospheric CO2 concentration measurements, given an atmospheric transport model to relate the two. The published estimates disagree strongly on the location of the main sources and sinks, however. Are these differences due to the different time spans considered, or are they artifacts of the method and data used? Here we assess the uncertainty in such estimates due to the choice of time discretization of the measurements and fluxes, the spatial resolution of the fluxes, and the transport model. A suite of 27 Bayesian least squares inversions has been run, given by varying the number of flux regions solved for (7, 12, and 17), the time discretization (annual/annual, annual/monthly, and monthly/monthly for the fluxes/data), and the transport model (TM2, TM3, and GCTM), while holding all other inversion details constant. The estimated fluxes from this ensemble of inversions for the land + ocean sum are stable over large zonal bands, but the spread in the results increases when considering the longitudinal flux distribution inside these bands. On average for 1990-1994 the inversions place a large CO2 uptake north of 30°N (3.2 ± 0.3 GtC yr-1), mostly over the land regions, with more in Eurasia than North America. The ocean fluxes are generally smaller than given by [1999], especially south of 15°S and in the global total, where they are less than half as large. A small uptake is found for the tropical land regions, suggesting that growth more than compensates for deforestation there. The results for the different transport models are consistent with their known mixing properties; the longitudinal pattern of their land biosphere rectifier, in particular, strongly influences the regional partitioning of the flux in the north. While differences between the transport models contribute significantly to the spread of the results, an equivalent or even larger spread is due to the time discretization method used: Solving for annual mean fluxes with monthly mean measurements tended to give spurious land/ocean flux partition in the north. We suggest then that this time discretization method be avoided. Overall, the uncertainty quoted for the estimated fluxes should include not only the random error calculated by the inversion equations but also all the systematic errors in the problem, such as those addressed in this study.

Towards molecular electronics with large-area molecular junctions.

PubMed

Akkerman, Hylke B; Blom, Paul W M; de Leeuw, Dago M; de Boer, Bert

2006-05-04

Electronic transport through single molecules has been studied extensively by academic and industrial research groups. Discrete tunnel junctions, or molecular diodes, have been reported using scanning probes, break junctions, metallic crossbars and nanopores. For technological applications, molecular tunnel junctions must be reliable, stable and reproducible. The conductance per molecule, however, typically varies by many orders of magnitude. Self-assembled monolayers (SAMs) may offer a promising route to the fabrication of reliable devices, and charge transport through SAMs of alkanethiols within nanopores is well understood, with non-resonant tunnelling dominating the transport mechanism. Unfortunately, electrical shorts in SAMs are often formed upon vapour deposition of the top electrode, which limits the diameter of the nanopore diodes to about 45 nm. Here we demonstrate a method to manufacture molecular junctions with diameters up to 100 microm with high yields (> 95 per cent). The junctions show excellent stability and reproducibility, and the conductance per unit area is similar to that obtained for benchmark nanopore diodes. Our technique involves processing the molecular junctions in the holes of a lithographically patterned photoresist, and then inserting a conducting polymer interlayer between the SAM and the metal top electrode. This simple approach is potentially low-cost and could pave the way for practical molecular electronics.

An asymptotic preserving unified gas kinetic scheme for frequency-dependent radiative transfer equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Wenjun, E-mail: sun_wenjun@iapcm.ac.cn; Jiang, Song, E-mail: jiang@iapcm.ac.cn; Xu, Kun, E-mail: makxu@ust.hk

This paper presents an extension of previous work (Sun et al., 2015 [22]) of the unified gas kinetic scheme (UGKS) for the gray radiative transfer equations to the frequency-dependent (multi-group) radiative transfer system. Different from the gray radiative transfer equations, where the optical opacity is only a function of local material temperature, the simulation of frequency-dependent radiative transfer is associated with additional difficulties from the frequency-dependent opacity. For the multiple frequency radiation, the opacity depends on both the spatial location and the frequency. For example, the opacity is typically a decreasing function of frequency. At the same spatial region themore » transport physics can be optically thick for the low frequency photons, and optically thin for high frequency ones. Therefore, the optical thickness is not a simple function of space location. In this paper, the UGKS for frequency-dependent radiative system is developed. The UGKS is a finite volume method and the transport physics is modeled according to the ratio of the cell size to the photon's frequency-dependent mean free path. When the cell size is much larger than the photon's mean free path, a diffusion solution for such a frequency radiation will be obtained. On the other hand, when the cell size is much smaller than the photon's mean free path, a free transport mechanism will be recovered. In the regime between the above two limits, with the variation of the ratio between the local cell size and photon's mean free path, the UGKS provides a smooth transition in the physical and frequency space to capture the corresponding transport physics accurately. The seemingly straightforward extension of the UGKS from the gray to multiple frequency radiation system is due to its intrinsic consistent multiple scale transport modeling, but it still involves lots of work to properly discretize the multiple groups in order to design an asymptotic preserving (AP) scheme in all regimes. The current scheme is tested in a few frequency-dependent radiation problems, and the results are compared with the solutions from the well-defined implicit Monte Carlo (IMC) method. The UGKS is much more efficient than IMC, and the computational times of both schemes for all test cases are listed. The UGKS seems to be the first discrete ordinate method (DOM) for the accurate capturing of multiple frequency radiative transport physics from ballistic particle motion to the diffusive wave propagation.« less

Actinide migration in Johnston Atoll soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolf, S. F.; Bates, J. K.; Buck, E. C.

1997-02-01

Characterization of the actinide content of a sample of contaminated coral soil from Johnston Atoll, the site of three non-nuclear destructs of nuclear warhead-carrying THOR missiles in 1962, revealed that >99% of the total actinide content is associated with discrete bomb fragments. After removal of these fragments, there was an inverse correlation between actinide content and soil particle size in particles from 43 to 0.4 {micro}m diameter. Detailed analyses of this remaining soil revealed no discrete actinide phase in these soil particles, despite measurable actinide content. Observations indicate that exposure to the environment has caused the conversion of relatively insolublemore » actinide oxides to the more soluble actinyl oxides and actinyl carbonate coordinated complexes. This process has led to dissolution of actinides from discrete particles and migration to the surrounding soil surfaces, resulting in a dispersion greater than would be expected by physical transport of discrete particles alone.« less

Theory of relativistic Brownian motion: the (1+3) -dimensional case.

PubMed

Dunkel, Jörn; Hänggi, Peter

2005-09-01

A theory for (1+3) -dimensional relativistic Brownian motion under the influence of external force fields is put forward. Starting out from a set of relativistically covariant, but multiplicative Langevin equations we describe the relativistic stochastic dynamics of a forced Brownian particle. The corresponding Fokker-Planck equations are studied in the laboratory frame coordinates. In particular, the stochastic integration prescription--i.e., the discretization rule dilemma--is elucidated (prepoint discretization rule versus midpoint discretization rule versus postpoint discretization rule). Remarkably, within our relativistic scheme we find that the postpoint rule (or the transport form) yields the only Fokker-Planck dynamics from which the relativistic Maxwell-Boltzmann statistics is recovered as the stationary solution. The relativistic velocity effects become distinctly more pronounced by going from one to three spatial dimensions. Moreover, we present numerical results for the asymptotic mean-square displacement of a free relativistic Brownian particle moving in 1+3 dimensions.

FLOCK cluster analysis of plasma cell flow cytometry data predicts bone marrow involvement by plasma cell neoplasia.

PubMed

Dorfman, David M; LaPlante, Charlotte D; Li, Betty

2016-09-01

We analyzed plasma cell populations in bone marrow samples from 353 patients with possible bone marrow involvement by a plasma cell neoplasm, using FLOCK (FLOw Clustering without K), an unbiased, automated, computational approach to identify cell subsets in multidimensional flow cytometry data. FLOCK identified discrete plasma cell populations in the majority of bone marrow specimens found by standard histologic and immunophenotypic criteria to be involved by a plasma cell neoplasm (202/208 cases; 97%), including 34 cases that were negative by standard flow cytometric analysis that included clonality assessment. FLOCK identified discrete plasma cell populations in only a minority of cases negative for involvement by a plasma cell neoplasm by standard histologic and immunophenotypic criteria (38/145 cases; 26%). Interestingly, 55% of the cases negative by standard analysis, but containing a FLOCK-identified discrete plasma cell population, were positive for monoclonal gammopathy by serum protein electrophoresis and immunofixation. FLOCK-identified and quantitated plasma cell populations accounted for 3.05% of total cells on average in cases positive for involvement by a plasma cell neoplasm by standard histologic and immunophenotypic criteria, and 0.27% of total cells on average in cases negative for involvement by a plasma cell neoplasm by standard histologic and immunophenotypic criteria (p<0.0001; area under the curve by ROC analysis=0.96). The presence of a FLOCK-identified discrete plasma cell population was predictive of the presence of plasma cell neoplasia with a sensitivity of 97%, compared with only 81% for standard flow cytometric analysis, and had specificity of 74%, PPV of 84% and NPV of 95%. FLOCK analysis, which has been shown to provide useful diagnostic information for evaluating patients with suspected systemic mastocytosis, is able to identify neoplastic plasma cell populations analyzed by flow cytometry, and may be helpful in the diagnostic evaluation of bone marrow samples for involvement by plasma cell neoplasia. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fractional Programming for Communication Systems—Part II: Uplink Scheduling via Matching

NASA Astrophysics Data System (ADS)

Shen, Kaiming; Yu, Wei

2018-05-01

This two-part paper develops novel methodologies for using fractional programming (FP) techniques to design and optimize communication systems. Part I of this paper proposes a new quadratic transform for FP and treats its application for continuous optimization problems. In this Part II of the paper, we study discrete problems, such as those involving user scheduling, which are considerably more difficult to solve. Unlike the continuous problems, discrete or mixed discrete-continuous problems normally cannot be recast as convex problems. In contrast to the common heuristic of relaxing the discrete variables, this work reformulates the original problem in an FP form amenable to distributed combinatorial optimization. The paper illustrates this methodology by tackling the important and challenging problem of uplink coordinated multi-cell user scheduling in wireless cellular systems. Uplink scheduling is more challenging than downlink scheduling, because uplink user scheduling decisions significantly affect the interference pattern in nearby cells. Further, the discrete scheduling variable needs to be optimized jointly with continuous variables such as transmit power levels and beamformers. The main idea of the proposed FP approach is to decouple the interaction among the interfering links, thereby permitting a distributed and joint optimization of the discrete and continuous variables with provable convergence. The paper shows that the well-known weighted minimum mean-square-error (WMMSE) algorithm can also be derived from a particular use of FP; but our proposed FP-based method significantly outperforms WMMSE when discrete user scheduling variables are involved, both in term of run-time efficiency and optimizing results.

Gamma-Weighted Discrete Ordinate Two-Stream Approximation for Computation of Domain Averaged Solar Irradiance

NASA Technical Reports Server (NTRS)

Kato, S.; Smith, G. L.; Barker, H. W.

2001-01-01

An algorithm is developed for the gamma-weighted discrete ordinate two-stream approximation that computes profiles of domain-averaged shortwave irradiances for horizontally inhomogeneous cloudy atmospheres. The algorithm assumes that frequency distributions of cloud optical depth at unresolved scales can be represented by a gamma distribution though it neglects net horizontal transport of radiation. This algorithm is an alternative to the one used in earlier studies that adopted the adding method. At present, only overcast cloudy layers are permitted.

Convergence of discrete Aubry–Mather model in the continuous limit

NASA Astrophysics Data System (ADS)

Su, Xifeng; Thieullen, Philippe

2018-05-01

We develop two approximation schemes for solving the cell equation and the discounted cell equation using Aubry–Mather–Fathi theory. The Hamiltonian is supposed to be Tonelli, time-independent and periodic in space. By Legendre transform it is equivalent to find a fixed point of some nonlinear operator, called Lax-Oleinik operator, which may be discounted or not. By discretizing in time, we are led to solve an additive eigenvalue problem involving a discrete Lax–Oleinik operator. We show how to approximate the effective Hamiltonian and some weak KAM solutions by letting the time step in the discrete model tend to zero. We also obtain a selected discrete weak KAM solution as in Davini et al (2016 Invent. Math. 206 29–55), and show that it converges to a particular solution of the cell equation. In order to unify the two settings, continuous and discrete, we develop a more general formalism of the short-range interactions.

S4 solution of the transport equation for eigenvalues using Legendre polynomials

NASA Astrophysics Data System (ADS)

Öztürk, Hakan; Bülbül, Ahmet

2017-09-01

Numerical solution of the transport equation for monoenergetic neutrons scattered isotropically through the medium of a finite homogeneous slab is studied for the determination of the eigenvalues. After obtaining the discrete ordinates form of the transport equation, separated homogeneous and particular solutions are formed and then the eigenvalues are calculated using the Gauss-Legendre quadrature set. Then, the calculated eigenvalues for various values of the c0, the mean number of secondary neutrons per collision, are given in the tables.

Observation of valley-selective microwave transport in photonic crystals

NASA Astrophysics Data System (ADS)

Ye, Liping; Yang, Yuting; Hong Hang, Zhi; Qiu, Chunyin; Liu, Zhengyou

2017-12-01

Recently, the discrete valley degree of freedom has attracted extensive attention in condensed matter physics. Here, we present an experimental observation of the intriguing valley transport for microwaves in photonic crystals, including the bulk valley transport and the valley-projected edge modes along the interface separating different photonic insulating phases. For both cases, valley-selective excitations are realized by a point-like chiral source located at proper locations inside the samples. Our results are promising for exploring unprecedented routes to manipulate microwaves.

Implicit flux-split Euler schemes for unsteady aerodynamic analysis involving unstructured dynamic meshes

NASA Technical Reports Server (NTRS)

Batina, John T.

1990-01-01

Improved algorithms for the solution of the time-dependent Euler equations are presented for unsteady aerodynamic analysis involving unstructured dynamic meshes. The improvements have been developed recently to the spatial and temporal discretizations used by unstructured grid flow solvers. The spatial discretization involves a flux-split approach which is naturally dissipative and captures shock waves sharply with at most one grid point within the shock structure. The temporal discretization involves an implicit time-integration shceme using a Gauss-Seidel relaxation procedure which is computationally efficient for either steady or unsteady flow problems. For example, very large time steps may be used for rapid convergence to steady state, and the step size for unsteady cases may be selected for temporal accuracy rather than for numerical stability. Steady and unsteady flow results are presented for the NACA 0012 airfoil to demonstrate applications of the new Euler solvers. The unsteady results were obtained for the airfoil pitching harmonically about the quarter chord. The resulting instantaneous pressure distributions and lift and moment coefficients during a cycle of motion compare well with experimental data. The paper presents a description of the Euler solvers along with results and comparisons which assess the capability.

Implicit flux-split Euler schemes for unsteady aerodynamic analysis involving unstructured dynamic meshes

NASA Technical Reports Server (NTRS)

Batina, John T.

1990-01-01

Improved algorithm for the solution of the time-dependent Euler equations are presented for unsteady aerodynamic analysis involving unstructured dynamic meshes. The improvements were developed recently to the spatial and temporal discretizations used by unstructured grid flow solvers. The spatial discretization involves a flux-split approach which is naturally dissipative and captures shock waves sharply with at most one grid point within the shock structure. The temporal discretization involves an implicit time-integration scheme using a Gauss-Seidel relaxation procedure which is computationally efficient for either steady or unsteady flow problems. For example, very large time steps may be used for rapid convergence to steady state, and the step size for unsteady cases may be selected for temporal accuracy rather than for numerical stability. Steady and unsteady flow results are presented for the NACA 0012 airfoil to demonstrate applications of the new Euler solvers. The unsteady results were obtained for the airfoil pitching harmonically about the quarter chord. The resulting instantaneous pressure distributions and lift and moment coefficients during a cycle of motion compare well with experimental data. A description of the Euler solvers is presented along with results and comparisons which assess the capability.

Coherent centres for light amplification in coupled waveguide arrays

NASA Astrophysics Data System (ADS)

Tripathi, Aditya; Kumar, Sunil

2018-07-01

In the study of optical lattices of waveguides, incorporation of nearest neighbour coupling and controllable nonlinearity can result in many interesting phenomena such as discrete diffraction, Anderson localization, diffusive transport, self-defocusing, discrete spatial solitons and discrete photonic resonances. The question of reflecting boundaries at the surfaces has been ignored most often. In the present study, we have shown through a simple one-dimensional waveguide array that light propagation gets completely modified along the length if effects from reflecting boundaries are also considered. We have shown only by considering the coupling on between neighbouring waveguides that there are periodic maximum power centres along the length of the excited waveguides which can be desirable for placing optical amplifiers in short or long distance communication and other applications.

A fast semi-discrete Kansa method to solve the two-dimensional spatiotemporal fractional diffusion equation

NASA Astrophysics Data System (ADS)

Sun, HongGuang; Liu, Xiaoting; Zhang, Yong; Pang, Guofei; Garrard, Rhiannon

2017-09-01

Fractional-order diffusion equations (FDEs) extend classical diffusion equations by quantifying anomalous diffusion frequently observed in heterogeneous media. Real-world diffusion can be multi-dimensional, requiring efficient numerical solvers that can handle long-term memory embedded in mass transport. To address this challenge, a semi-discrete Kansa method is developed to approximate the two-dimensional spatiotemporal FDE, where the Kansa approach first discretizes the FDE, then the Gauss-Jacobi quadrature rule solves the corresponding matrix, and finally the Mittag-Leffler function provides an analytical solution for the resultant time-fractional ordinary differential equation. Numerical experiments are then conducted to check how the accuracy and convergence rate of the numerical solution are affected by the distribution mode and number of spatial discretization nodes. Applications further show that the numerical method can efficiently solve two-dimensional spatiotemporal FDE models with either a continuous or discrete mixing measure. Hence this study provides an efficient and fast computational method for modeling super-diffusive, sub-diffusive, and mixed diffusive processes in large, two-dimensional domains with irregular shapes.

Energy transport in weakly nonlinear wave systems with narrow frequency band excitation.

PubMed

Kartashova, Elena

2012-10-01

A novel discrete model (D model) is presented describing nonlinear wave interactions in systems with small and moderate nonlinearity under narrow frequency band excitation. It integrates in a single theoretical frame two mechanisms of energy transport between modes, namely, intermittency and energy cascade, and gives the conditions under which each regime will take place. Conditions for the formation of a cascade, cascade direction, conditions for cascade termination, etc., are given and depend strongly on the choice of excitation parameters. The energy spectra of a cascade may be computed, yielding discrete and continuous energy spectra. The model does not require statistical assumptions, as all effects are derived from the interaction of distinct modes. In the example given-surface water waves with dispersion function ω(2)=gk and small nonlinearity-the D model predicts asymmetrical growth of side-bands for Benjamin-Feir instability, while the transition from discrete to continuous energy spectrum, excitation parameters properly chosen, yields the saturated Phillips' power spectrum ~g(2)ω(-5). The D model can be applied to the experimental and theoretical study of numerous wave systems appearing in hydrodynamics, nonlinear optics, electrodynamics, plasma, convection theory, etc.

System for Automatic Generation of Examination Papers in Discrete Mathematics

ERIC Educational Resources Information Center

Fridenfalk, Mikael

2013-01-01

A system was developed for automatic generation of problems and solutions for examinations in a university distance course in discrete mathematics and tested in a pilot experiment involving 200 students. Considering the success of such systems in the past, particularly including automatic assessment, it should not take long before such systems are…

A Deep Penetration Problem Calculation Using AETIUS:An Easy Modeling Discrete Ordinates Transport Code UsIng Unstructured Tetrahedral Mesh, Shared Memory Parallel

NASA Astrophysics Data System (ADS)

KIM, Jong Woon; LEE, Young-Ouk

2017-09-01

As computing power gets better and better, computer codes that use a deterministic method seem to be less useful than those using the Monte Carlo method. In addition, users do not like to think about space, angles, and energy discretization for deterministic codes. However, a deterministic method is still powerful in that we can obtain a solution of the flux throughout the problem, particularly as when particles can barely penetrate, such as in a deep penetration problem with small detection volumes. Recently, a new state-of-the-art discrete-ordinates code, ATTILA, was developed and has been widely used in several applications. ATTILA provides the capabilities to solve geometrically complex 3-D transport problems by using an unstructured tetrahedral mesh. Since 2009, we have been developing our own code by benchmarking ATTILA. AETIUS is a discrete ordinates code that uses an unstructured tetrahedral mesh such as ATTILA. For pre- and post- processing, Gmsh is used to generate an unstructured tetrahedral mesh by importing a CAD file (*.step) and visualizing the calculation results of AETIUS. Using a CAD tool, the geometry can be modeled very easily. In this paper, we describe a brief overview of AETIUS and provide numerical results from both AETIUS and a Monte Carlo code, MCNP5, in a deep penetration problem with small detection volumes. The results demonstrate the effectiveness and efficiency of AETIUS for such calculations.

Stability Analysis of Algebraic Reconstruction for Immersed Boundary Methods with Application in Flow and Transport in Porous Media

NASA Astrophysics Data System (ADS)

Yousefzadeh, M.; Battiato, I.

2017-12-01

Flow and reactive transport problems in porous media often involve complex geometries with stationary or evolving boundaries due to absorption and dissolution processes. Grid based methods (e.g. finite volume, finite element, etc.) are a vital tool for studying these problems. Yet, implementing these methods requires one to answer a very first question of what type of grid is to be used. Among different possible answers, Cartesian grids are one of the most attractive options as they possess simple discretization stencil and are usually straightforward to generate at roughly no computational cost. The Immersed Boundary Method, a Cartesian based methodology, maintains most of the useful features of the structured grids while exhibiting a high-level resilience in dealing with complex geometries. These features make it increasingly more attractive to model transport in evolving porous media as the cost of grid generation reduces greatly. Yet, stability issues and severe time-step restriction due to explicit-time implementation combined with limited studies on the implementation of Neumann (constant flux) and linear and non-linear Robin (e.g. reaction) boundary conditions (BCs) have significantly limited the applicability of IBMs to transport in porous media. We have developed an implicit IBM capable of handling all types of BCs and addressed some numerical issues, including unconditional stability criteria, compactness and reduction of spurious oscillations near the immersed boundary. We tested the method for several transport and flow scenarios, including dissolution processes in porous media, and demonstrate its capabilities. Successful validation against both experimental and numerical data has been carried out.

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.

A general gridding, discretization, and coarsening methodology for modeling flow in porous formations with discrete geological features

NASA Astrophysics Data System (ADS)

Karimi-Fard, M.; Durlofsky, L. J.

2016-10-01

A comprehensive framework for modeling flow in porous media containing thin, discrete features, which could be high-permeability fractures or low-permeability deformation bands, is presented. The key steps of the methodology are mesh generation, fine-grid discretization, upscaling, and coarse-grid discretization. Our specialized gridding technique combines a set of intersecting triangulated surfaces by constructing approximate intersections using existing edges. This procedure creates a conforming mesh of all surfaces, which defines the internal boundaries for the volumetric mesh. The flow equations are discretized on this conforming fine mesh using an optimized two-point flux finite-volume approximation. The resulting discrete model is represented by a list of control-volumes with associated positions and pore-volumes, and a list of cell-to-cell connections with associated transmissibilities. Coarse models are then constructed by the aggregation of fine-grid cells, and the transmissibilities between adjacent coarse cells are obtained using flow-based upscaling procedures. Through appropriate computation of fracture-matrix transmissibilities, a dual-continuum representation is obtained on the coarse scale in regions with connected fracture networks. The fine and coarse discrete models generated within the framework are compatible with any connectivity-based simulator. The applicability of the methodology is illustrated for several two- and three-dimensional examples. In particular, we consider gas production from naturally fractured low-permeability formations, and transport through complex fracture networks. In all cases, highly accurate solutions are obtained with significant model reduction.

Candidates for Intensive Local Treatment in cIIIA-N2 Non-Small Cell Lung Cancer: Deciphering the Heterogeneity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horinouchi, Hidehito, E-mail: hhorinou@ncc.go.jp; Advanced Clinical Research of Cancer, Juntendo University Graduate School of Medicine, Tokyo; Goto, Yasushi

2016-01-01

Purpose: The purpose of this study was to refine the heterogeneous clinical stage IIIA non-small cell lung cancer (NSCLC) with N2 nodes status (cIIIA-N2) by clinicopathological characteristics before treatment. Methods and Materials: We analyzed data of consecutive patients with cIIIA-N2 NSCLC diagnosed between 1997 and 2010 and treated by chemoradiation therapy (CRT). The appearance of the mediastinal lymph nodes (MLNs) was classified into discrete or infiltrative according to the criteria proposed by the American College of Chest Physicians. In addition, the extent of MLN involvement (MLNI) was classified as limited (close to the primary tumor) or extensive (including upper MLNImore » in the case of tumors in the lower lobes and vice versa). Results: A total of 148 patients with cIIIA-N2 NSCLC was treated by CRT. The patient characteristics were as follows: males: 118; females: 30; median age: 62 years; appearance of the involved MLNs: 85 discrete, 63 infiltrative; extent of MLNI: 82 limited, 66 extensive; histology: 36 squamous, 112 nonsquamous. The median progression-free survival (PFS) and median overall survival (OS) in the entire subject population were 9.9 and 34.7 months, respectively. A discrete appearance of the involved MLNs and a limited extent of MLNI contributed significantly to a better PFS and OS. The percentages of cases with relapses within the irradiated field classified according to the characteristics of the MLNs were as follows; appearance of the MLNs (24.6% discrete, 18.9% infiltrative); extent of MLNI (25.9 limited, 17.9% extensive). Conclusions: Those with a discrete appearance of the involved MLNs and a limited extent of MLNI at diagnosis could show relatively more favorable outcomes and could be candidates for multimodality therapy.« less

Box-Cox Mixed Logit Model for Travel Behavior Analysis

NASA Astrophysics Data System (ADS)

Orro, Alfonso; Novales, Margarita; Benitez, Francisco G.

2010-09-01

To represent the behavior of travelers when they are deciding how they are going to get to their destination, discrete choice models, based on the random utility theory, have become one of the most widely used tools. The field in which these models were developed was halfway between econometrics and transport engineering, although the latter now constitutes one of their principal areas of application. In the transport field, they have mainly been applied to mode choice, but also to the selection of destination, route, and other important decisions such as the vehicle ownership. In usual practice, the most frequently employed discrete choice models implement a fixed coefficient utility function that is linear in the parameters. The principal aim of this paper is to present the viability of specifying utility functions with random coefficients that are nonlinear in the parameters, in applications of discrete choice models to transport. Nonlinear specifications in the parameters were present in discrete choice theory at its outset, although they have seldom been used in practice until recently. The specification of random coefficients, however, began with the probit and the hedonic models in the 1970s, and, after a period of apparent little practical interest, has burgeoned into a field of intense activity in recent years with the new generation of mixed logit models. In this communication, we present a Box-Cox mixed logit model, original of the authors. It includes the estimation of the Box-Cox exponents in addition to the parameters of the random coefficients distribution. Probability of choose an alternative is an integral that will be calculated by simulation. The estimation of the model is carried out by maximizing the simulated log-likelihood of a sample of observed individual choices between alternatives. The differences between the predictions yielded by models that are inconsistent with real behavior have been studied with simulation experiments.

Mechanically adjustable single-molecule transistors and stencil mask nanofabrication of high-resolution scanning probes

NASA Astrophysics Data System (ADS)

Champagne, Alexandre

This dissertation presents the development of two original experimental techniques to probe nanoscale objects. The first one studies electronic transport in single organic molecule transistors in which the source-drain electrode spacing is mechanically adjustable. The second involves the fabrication of high-resolution scanning probe microscopy sensors using a stencil mask lithography technique. We describe the fabrication of transistors in which a single organic molecule can be incorporated. The source and drain leads of these transistors are freely suspended above a flexible substrate, and their spacing can be adjusted by bending the substrate. We detail the technology developed to carry out measurements on these samples. We study electronic transport in single C60 molecules at low temperature. We observe Coulomb blockaded transport and can resolve the discrete energy spectrum of the molecule. We are able to mechanically tune the spacing between the electrodes (over a range of 5 A) to modulate the lead-molecule coupling, and can electrostatically tune the energy levels on the molecule by up to 160 meV using a gate electrode. Initial progress in studying different transport regimes in other molecules is also discussed. We present a lithographic process that allows the deposition of metal nanostructures with a resolution down to 10 nm directly onto atomic force microscope (AFM) tips. We show that multiple layers of lithography can be deposited and aligned. We fabricate high-resolution magnetic force microscopy (MFM) probes using this method and discuss progress to fabricate other scanning probe microscopy (SPM) sensors.

Bioremediation in fractured rock: 1. Modeling to inform design, monitoring, and expectations

USGS Publications Warehouse

Tiedeman, Claire; Shapiro, Allen M.; Hsieh, Paul A.; Imbrigiotta, Thomas; Goode, Daniel J.; Lacombe, Pierre; DeFlaun, Mary F.; Drew, Scott R.; Johnson, Carole D.; Williams, John H.; Curtis, Gary P.

2018-01-01

Field characterization of a trichloroethene (TCE) source area in fractured mudstones produced a detailed understanding of the geology, contaminant distribution in fractures and the rock matrix, and hydraulic and transport properties. Groundwater flow and chemical transport modeling that synthesized the field characterization information proved critical for designing bioremediation of the source area. The planned bioremediation involved injecting emulsified vegetable oil and bacteria to enhance the naturally occurring biodegradation of TCE. The flow and transport modeling showed that injection will spread amendments widely over a zone of lower‐permeability fractures, with long residence times expected because of small velocities after injection and sorption of emulsified vegetable oil onto solids. Amendments transported out of this zone will be diluted by groundwater flux from other areas, limiting bioremediation effectiveness downgradient. At nearby pumping wells, further dilution is expected to make bioremediation effects undetectable in the pumped water. The results emphasize that in fracture‐dominated flow regimes, the extent of injected amendments cannot be conceptualized using simple homogeneous models of groundwater flow commonly adopted to design injections in unconsolidated porous media (e.g., radial diverging or dipole flow regimes). Instead, it is important to synthesize site characterization information using a groundwater flow model that includes discrete features representing high‐ and low‐permeability fractures. This type of model accounts for the highly heterogeneous hydraulic conductivity and groundwater fluxes in fractured‐rock aquifers, and facilitates designing injection strategies that target specific volumes of the aquifer and maximize the distribution of amendments over these volumes.

Flow resistance in open channels with fixed movable bed

USGS Publications Warehouse

Simoes, Francisco J.

2010-01-01

In spite of an increasingly large body of research by many investigators, accurate quantitative prediction of open channel flow resistance remains a challenge. In general, the relations between the elements influencing resistance (turbulence, boundary roughness, and channel shape features, such as discrete obstacles, bars, channel curvature, recirculation areas, secondary circulation, etc.) and mean flow variables are complex and poorly understood. This has resulted in numerous approaches to compute friction using many and diverse variables and equally diverse prescriptions for their use. In this paper, a new resistance law for surface (grain) resistance, the resistance due to the flow viscous effects on the channel boundary roughness elements, is presented for the cases of flow in the transition (5 < Re* <70) and fully rough (Re* ≥ 70) turbulent flow regimes, where Re* is the Reynolds number based on shear velocity and sediment particle mean diameter. It is shown that the new law is sensitive to bed movement without requiring previous knowledge of sediment transport conditions. Comparisons between computation and measurements, as well as comparisons with other well-known existing roughness predictors, are presented to demonstrate its accuracy and range of application. It is shown that the method accurately predicts total friction losses in channels and natural rivers with plane beds, regardless of sediment transport conditions. This work is useful to hydraulic engineers involved with the derivation of depth-discharge relations in open channel flow and with the estimation of sediment transport rates for the case of bedload transport.

Variable-Range Hopping through Marginally Localized Phonons

NASA Astrophysics Data System (ADS)

Banerjee, Sumilan; Altman, Ehud

2016-03-01

We investigate the effect of coupling Anderson localized particles in one dimension to a system of marginally localized phonons having a symmetry protected delocalized mode at zero frequency. This situation is naturally realized for electrons coupled to phonons in a disordered nanowire as well as for ultracold fermions coupled to phonons of a superfluid in a one-dimensional disordered trap. To determine if the coupled system can be many-body localized we analyze the phonon-mediated hopping transport for both the weak and strong coupling regimes. We show that the usual variable-range hopping mechanism involving a low-order phonon process is ineffective at low temperature due to discreteness of the bath at the required energy. Instead, the system thermalizes through a many-body process involving exchange of a diverging number n ∝-log T of phonons in the low temperature limit. This effect leads to a highly singular prefactor to Mott's well-known formula and strongly suppresses the variable range hopping rate. Finally, we comment on possible implications of this physics in higher dimensional electron-phonon coupled systems.

Molecular transformation, gene cloning, and gene expression systems for filamentous fungi

USGS Publications Warehouse

Gold, Scott E.; Duick, John W.; Redman, Regina S.; Rodriguez, Rusty J.

2001-01-01

This chapter discusses the molecular transformation, gene cloning, and gene expression systems for filamentous fungi. Molecular transformation involves the movement of discrete amounts of DNA into cells, the expression of genes on the transported DNA, and the sustainable replication of the transforming DNA. The ability to transform fungi is dependent on the stable replication and expression of genes located on the transforming DNA. Three phenomena observed in bacteria, that is, competence, plasmids, and restriction enzymes to facilitate cloning, were responsible for the development of molecular transformation in fungi. Initial transformation success with filamentous fungi, involving the complementation of auxotrophic mutants by exposure to sheared genomic DNA or RNA from wt isolates, occurred with low transformation efficiencies. In addition, it was difficult to retrieve complementing DNA fragments and isolate genes of interest. This prompted the development of transformation vectors and methods to increase efficiencies. The physiological studies performed with fungi indicated that the cell wall could be removed to generate protoplasts. It was evident that protoplasts could be transformed with significantly greater efficiencies than walled cells.

Faster and More Accurate Transport Procedures for HZETRN

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Blattnig, Steve R.; Badavi, Francis F.

2010-01-01

Several aspects of code verification are examined for HZETRN. First, a detailed derivation of the numerical marching algorithms is given. Next, a new numerical method for light particle transport is presented, and improvements to the heavy ion transport algorithm are discussed. A summary of various coding errors is also given, and the impact of these errors on exposure quantities is shown. Finally, a coupled convergence study is conducted. From this study, it is shown that past efforts in quantifying the numerical error in HZETRN were hindered by single precision calculations and computational resources. It is also determined that almost all of the discretization error in HZETRN is caused by charged target fragments below 50 AMeV. Total discretization errors are given for the old and new algorithms, and the improved accuracy of the new numerical methods is demonstrated. Run time comparisons are given for three applications in which HZETRN is commonly used. The new algorithms are found to be almost 100 times faster for solar particle event simulations and almost 10 times faster for galactic cosmic ray simulations.

Energy transport in the three coupled α-polypeptide chains of collagen molecule with long-range interactions effect

NASA Astrophysics Data System (ADS)

Mvogo, Alain; Ben-Bolie, G. H.; Kofané, T. C.

2015-06-01

The dynamics of three coupled α-polypeptide chains of a collagen molecule is investigated with the influence of power-law long-range exciton-exciton interactions. The continuum limit of the discrete equations reveal that the collagen dynamics is governed by a set of three coupled nonlinear Schrödinger equations, whose dispersive coefficient depends on the LRI parameter r. We construct the analytic symmetric and asymmetric (antisymmetric) soliton solutions, which match with the structural features of collagen related with the acupuncture channels. These solutions are used as initial conditions for the numerical simulations of the discrete equations, which reveal a coherent transport of energy in the molecule for r > 3. The results also indicate that the width of the solitons is a decreasing function of r, which help to stabilize the solitons propagating in the molecule. To confirm further the efficiency of energy transport in the molecule, the modulational instability of the system is performed and the numerical simulations show that the energy can flow from one polypeptide chain to another in the form of nonlinear waves.

Mechanical environmental transport of actinides and ¹³⁷Cs from an arid radioactive waste disposal site.

PubMed

Snow, Mathew S; Clark, Sue B; Morrison, Samuel S; Watrous, Matthew G; Olson, John E; Snyder, Darin C

2015-10-01

Aeolian and pluvial processes represent important mechanisms for the movement of actinides and fission products at the Earth's surface. Soil samples taken in the early 1970's near a Department of Energy radioactive waste disposal site (the Subsurface Disposal Area, SDA, located in southeastern Idaho) provide a case study for studying the mechanisms and characteristics of environmental actinide and (137)Cs transport in an arid environment. Multi-component mixing models suggest actinide contamination within 2.5 km of the SDA can be described by mixing between 2 distinct SDA end members and regional nuclear weapons fallout. The absence of chemical fractionation between (241)Am and (239+240)Pu with depth for samples beyond the northeastern corner and lack of (241)Am in-growth over time (due to (241)Pu decay) suggest mechanical transport and mixing of discrete contaminated particles under arid conditions. Occasional samples northeast of the SDA (the direction of the prevailing winds) contain anomalously high concentrations of Pu with (240)Pu/(239)Pu isotopic ratios statistically identical to those in the northeastern corner. Taken together, these data suggest flooding resulted in mechanical transport of contaminated particles into the area between the SDA and a flood containment dike in the northeastern corner, following which subsequent contamination spreading in the northeastern direction resulted from wind transport of discrete particles. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantization of systems with temporally varying discretization. II. Local evolution moves

NASA Astrophysics Data System (ADS)

Höhn, Philipp A.

2014-10-01

Several quantum gravity approaches and field theory on an evolving lattice involve a discretization changing dynamics generated by evolution moves. Local evolution moves in variational discrete systems (1) are a generalization of the Pachner evolution moves of simplicial gravity models, (2) update only a small subset of the dynamical data, (3) change the number of kinematical and physical degrees of freedom, and (4) generate a dynamical (or canonical) coarse graining or refining of the underlying discretization. To systematically explore such local moves and their implications in the quantum theory, this article suitably expands the quantum formalism for global evolution moves, constructed in Paper I [P. A. Höhn, "Quantization of systems with temporally varying discretization. I. Evolving Hilbert spaces," J. Math. Phys. 55, 083508 (2014); e-print arXiv:1401.6062 [gr-qc

The Reliability and Validity of Discrete and Continuous Measures of Psychopathology: A Quantitative Review

ERIC Educational Resources Information Center

Markon, Kristian E.; Chmielewski, Michael; Miller, Christopher J.

2011-01-01

In 2 meta-analyses involving 58 studies and 59,575 participants, we quantitatively summarized the relative reliability and validity of continuous (i.e., dimensional) and discrete (i.e., categorical) measures of psychopathology. Overall, results suggest an expected 15% increase in reliability and 37% increase in validity through adoption of a…

Tracking the fear memory engram: discrete populations of neurons within amygdala, hypothalamus, and lateral septum are specifically activated by auditory fear conditioning

PubMed Central

Wilson, Yvette M.; Gunnersen, Jenny M.; Murphy, Mark

2015-01-01

Memory formation is thought to occur via enhanced synaptic connectivity between populations of neurons in the brain. However, it has been difficult to localize and identify the neurons that are directly involved in the formation of any specific memory. We have previously used fos-tau-lacZ (FTL) transgenic mice to identify discrete populations of neurons in amygdala and hypothalamus, which were specifically activated by fear conditioning to a context. Here we have examined neuronal activation due to fear conditioning to a more specific auditory cue. Discrete populations of learning-specific neurons were identified in only a small number of locations in the brain, including those previously found to be activated in amygdala and hypothalamus by context fear conditioning. These populations, each containing only a relatively small number of neurons, may be directly involved in fear learning and memory. PMID:26179231

Entropic Lattice Boltzmann Simulations of Turbulence

NASA Astrophysics Data System (ADS)

Keating, Brian; Vahala, George; Vahala, Linda; Soe, Min; Yepez, Jeffrey

2006-10-01

Because of its simplicity, nearly perfect parallelization and vectorization on supercomputer platforms, lattice Boltzmann (LB) methods hold great promise for simulations of nonlinear physics. Indeed, our MHD-LB code has the best sustained performance/PE of any code on the Earth Simulator. By projecting into the higher dimensional kinetic phase space, the solution trajectory is simpler and much easier to compute than standard CFD approach. However, simple LB -- with its simple advection and local BGK collisional relaxation -- does not impose positive definiteness of the distribution functions in the time evolution. This leads to numerical instabilities for very low transport coefficients. In Entropic LB (ELB) one determines a discrete H-theorem and the equilibrium distribution functions subject to the collisional invariants. The ELB algorithm is unconditionally stable to arbitrary small transport coefficients. Various choices of velocity discretization are examined: 15, 19 and 27-bit ELB models. The connection between Tsallis and Boltzmann entropies are clarified.

Phase retrieval with the transport-of-intensity equation in an arbitrarily-shaped aperture by iterative discrete cosine transforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Lei; Zuo, Chao; Idir, Mourad

A novel transport-of-intensity equation (TIE) based phase retrieval method is proposed with putting an arbitrarily-shaped aperture into the optical wavefield. In this arbitrarily-shaped aperture, the TIE can be solved under non-uniform illuminations and even non-homogeneous boundary conditions by iterative discrete cosine transforms with a phase compensation mechanism. Simulation with arbitrary phase, arbitrary aperture shape, and non-uniform intensity distribution verifies the effective compensation and high accuracy of the proposed method. Experiment is also carried out to check the feasibility of the proposed method in real measurement. Comparing to the existing methods, the proposed method is applicable for any types of phasemore » distribution under non-uniform illumination and non-homogeneous boundary conditions within an arbitrarily-shaped aperture, which enables the technique of TIE with hard aperture become a more flexible phase retrieval tool in practical measurements.« less

Phase retrieval with the transport-of-intensity equation in an arbitrarily-shaped aperture by iterative discrete cosine transforms

DOE PAGES

Huang, Lei; Zuo, Chao; Idir, Mourad; ...

2015-04-21

A novel transport-of-intensity equation (TIE) based phase retrieval method is proposed with putting an arbitrarily-shaped aperture into the optical wavefield. In this arbitrarily-shaped aperture, the TIE can be solved under non-uniform illuminations and even non-homogeneous boundary conditions by iterative discrete cosine transforms with a phase compensation mechanism. Simulation with arbitrary phase, arbitrary aperture shape, and non-uniform intensity distribution verifies the effective compensation and high accuracy of the proposed method. Experiment is also carried out to check the feasibility of the proposed method in real measurement. Comparing to the existing methods, the proposed method is applicable for any types of phasemore » distribution under non-uniform illumination and non-homogeneous boundary conditions within an arbitrarily-shaped aperture, which enables the technique of TIE with hard aperture become a more flexible phase retrieval tool in practical measurements.« less

Predictions of first passage times in sparse discrete fracture networks using graph-based reductions

NASA Astrophysics Data System (ADS)

Hyman, J.; Hagberg, A.; Srinivasan, G.; Mohd-Yusof, J.; Viswanathan, H. S.

2017-12-01

We present a graph-based methodology to reduce the computational cost of obtaining first passage times through sparse fracture networks. We derive graph representations of generic three-dimensional discrete fracture networks (DFNs) using the DFN topology and flow boundary conditions. Subgraphs corresponding to the union of the k shortest paths between the inflow and outflow boundaries are identified and transport on their equivalent subnetworks is compared to transport through the full network. The number of paths included in the subgraphs is based on the scaling behavior of the number of edges in the graph with the number of shortest paths. First passage times through the subnetworks are in good agreement with those obtained in the full network, both for individual realizations and in distribution. Accurate estimates of first passage times are obtained with an order of magnitude reduction of CPU time and mesh size using the proposed method.

Predictions of first passage times in sparse discrete fracture networks using graph-based reductions

NASA Astrophysics Data System (ADS)

Hyman, Jeffrey D.; Hagberg, Aric; Srinivasan, Gowri; Mohd-Yusof, Jamaludin; Viswanathan, Hari

2017-07-01

We present a graph-based methodology to reduce the computational cost of obtaining first passage times through sparse fracture networks. We derive graph representations of generic three-dimensional discrete fracture networks (DFNs) using the DFN topology and flow boundary conditions. Subgraphs corresponding to the union of the k shortest paths between the inflow and outflow boundaries are identified and transport on their equivalent subnetworks is compared to transport through the full network. The number of paths included in the subgraphs is based on the scaling behavior of the number of edges in the graph with the number of shortest paths. First passage times through the subnetworks are in good agreement with those obtained in the full network, both for individual realizations and in distribution. Accurate estimates of first passage times are obtained with an order of magnitude reduction of CPU time and mesh size using the proposed method.

Solutions of burnt-bridge models for molecular motor transport.

PubMed

Morozov, Alexander Yu; Pronina, Ekaterina; Kolomeisky, Anatoly B; Artyomov, Maxim N

2007-03-01

Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (called "bridges"), is investigated theoretically by analyzing discrete-state stochastic "burnt-bridge" models. When an unbiased diffusing particle crosses the bridge, the link can be destroyed ("burned") with a probability p , creating a biased directed motion for the particle. It is shown that for probability of burning p=1 the system can be mapped into a one-dimensional single-particle hopping model along the periodic infinite lattice that allows one to calculate exactly all dynamic properties. For the general case of p<1 a theoretical method is developed and dynamic properties are computed explicitly. Discrete-time and continuous-time dynamics for periodic distribution of bridges and different burning dynamics are analyzed and compared. Analytical predictions are supported by extensive Monte Carlo computer simulations. Theoretical results are applied for analysis of the experiments on collagenase motor proteins.

A novel equivalent definition of Caputo fractional derivative without singular kernel and superconvergent analysis

NASA Astrophysics Data System (ADS)

Liu, Zhengguang; Li, Xiaoli

2018-05-01

In this article, we present a new second-order finite difference discrete scheme for a fractal mobile/immobile transport model based on equivalent transformative Caputo formulation. The new transformative formulation takes the singular kernel away to make the integral calculation more efficient. Furthermore, this definition is also effective where α is a positive integer. Besides, the T-Caputo derivative also helps us to increase the convergence rate of the discretization of the α-order(0 < α < 1) Caputo derivative from O(τ2-α) to O(τ3-α), where τ is the time step. For numerical analysis, a Crank-Nicolson finite difference scheme to solve the fractal mobile/immobile transport model is introduced and analyzed. The unconditional stability and a priori estimates of the scheme are given rigorously. Moreover, the applicability and accuracy of the scheme are demonstrated by numerical experiments to support our theoretical analysis.

Exact Solutions of Burnt-Bridge Models for Molecular Motor Transport

NASA Astrophysics Data System (ADS)

Morozov, Alexander; Pronina, Ekaterina; Kolomeisky, Anatoly; Artyomov, Maxim

2007-03-01

Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (called ``bridges''), is investigated theoretically by analyzing discrete-state stochastic ``burnt-bridge'' models. When an unbiased diffusing particle crosses the bridge, the link can be destroyed (``burned'') with a probability p, creating a biased directed motion for the particle. It is shown that for probability of burning p=1 the system can be mapped into one-dimensional single-particle hopping model along the periodic infinite lattice that allows one to calculate exactly all dynamic properties. For general case of p<1 a new theoretical method is developed, and dynamic properties are computed explicitly. Discrete-time and continuous-time dynamics, periodic and random distribution of bridges and different burning dynamics are analyzed and compared. Theoretical predictions are supported by extensive Monte Carlo computer simulations. Theoretical results are applied for analysis of the experiments on collagenase motor proteins.

Solutions of burnt-bridge models for molecular motor transport

NASA Astrophysics Data System (ADS)

Morozov, Alexander Yu.; Pronina, Ekaterina; Kolomeisky, Anatoly B.; Artyomov, Maxim N.

2007-03-01

Transport of molecular motors, stimulated by interactions with specific links between consecutive binding sites (called “bridges”), is investigated theoretically by analyzing discrete-state stochastic “burnt-bridge” models. When an unbiased diffusing particle crosses the bridge, the link can be destroyed (“burned”) with a probability p , creating a biased directed motion for the particle. It is shown that for probability of burning p=1 the system can be mapped into a one-dimensional single-particle hopping model along the periodic infinite lattice that allows one to calculate exactly all dynamic properties. For the general case of p<1 a theoretical method is developed and dynamic properties are computed explicitly. Discrete-time and continuous-time dynamics for periodic distribution of bridges and different burning dynamics are analyzed and compared. Analytical predictions are supported by extensive Monte Carlo computer simulations. Theoretical results are applied for analysis of the experiments on collagenase motor proteins.

Physical and chemical characterization of actinides in soil from Johnston Atoll

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolf, S.F.; Bates, J.K.; Buck, E.C.

1997-02-01

Characterization of the actinide content of a sample of contaminated coral soil from Johnston Atoll, the site of three non-nuclear destructs of nuclear warhead-carrying THOR missiles in 1962, revealed that >99% of the total actinide content is associated with discrete bomb fragments. After removal of these fragments, there was an inverse correlation between actinide content and soil particle size in particles from 43 to 0.4 {mu}m diameter. Detailed analyses of this remaining soil revealed no discrete actinide phase in these soil particles, despite measurable actinide content. Observations indicate that exposure to the environment has caused the conversion of relatively insolublemore » actinide oxides to the more soluble actinyl oxides and actinyl carbonate coordinated complexes. This process has led to dissolution of actinides from discrete particles and migration to the surrounding soil surfaces, resulting in a dispersion greater than would be expected by physical transport of discrete particles alone. 26 refs., 4 figs., 1 tab.« less

Shadows of Stuxnet: Recommendations for U.S. Policy on Critical Infrastructure Cyber Defense Derived from the Stuxnet Attack

DTIC Science & Technology

2016-03-01

wastewater, oil and natural gas, chemical, transportation, pharmaceutical, pulp and paper, food and beverage, and discrete manufacturing (e.g...dams, energy infrastructure, banks, farms, food processing facilities, hospitals, nuclear reactors, transportation carriers, and water treatment... food and agriculture sector” is, “almost entirely under private ownership and is comprised of an estimated 2.2 million farms, 900,000 restaurants, and

Reactor Dosimetry Applications Using RAPTOR-M3G:. a New Parallel 3-D Radiation Transport Code

NASA Astrophysics Data System (ADS)

Longoni, Gianluca; Anderson, Stanwood L.

2009-08-01

The numerical solution of the Linearized Boltzmann Equation (LBE) via the Discrete Ordinates method (SN) requires extensive computational resources for large 3-D neutron and gamma transport applications due to the concurrent discretization of the angular, spatial, and energy domains. This paper will discuss the development RAPTOR-M3G (RApid Parallel Transport Of Radiation - Multiple 3D Geometries), a new 3-D parallel radiation transport code, and its application to the calculation of ex-vessel neutron dosimetry responses in the cavity of a commercial 2-loop Pressurized Water Reactor (PWR). RAPTOR-M3G is based domain decomposition algorithms, where the spatial and angular domains are allocated and processed on multi-processor computer architectures. As compared to traditional single-processor applications, this approach reduces the computational load as well as the memory requirement per processor, yielding an efficient solution methodology for large 3-D problems. Measured neutron dosimetry responses in the reactor cavity air gap will be compared to the RAPTOR-M3G predictions. This paper is organized as follows: Section 1 discusses the RAPTOR-M3G methodology; Section 2 describes the 2-loop PWR model and the numerical results obtained. Section 3 addresses the parallel performance of the code, and Section 4 concludes this paper with final remarks and future work.

Transport Phenomena of Water in Molecular Fluidic Channels

PubMed Central

Vo, Truong Quoc; Kim, BoHung

2016-01-01

In molecular-level fluidic transport, where the discrete characteristics of a molecular system are not negligible (in contrast to a continuum description), the response of the molecular water system might still be similar to the continuum description if the time and ensemble averages satisfy the ergodic hypothesis and the scale of the average is enough to recover the classical thermodynamic properties. However, even in such cases, the continuum description breaks down on the material interfaces. In short, molecular-level liquid flows exhibit substantially different physics from classical fluid transport theories because of (i) the interface/surface force field, (ii) thermal/velocity slip, (iii) the discreteness of fluid molecules at the interface and (iv) local viscosity. Therefore, in this study, we present the result of our investigations using molecular dynamics (MD) simulations with continuum-based energy equations and check the validity and limitations of the continuum hypothesis. Our study shows that when the continuum description is subjected to the proper treatment of the interface effects via modified boundary conditions, the so-called continuum-based modified-analytical solutions, they can adequately predict nanoscale fluid transport phenomena. The findings in this work have broad effects in overcoming current limitations in modeling/predicting the fluid behaviors of molecular fluidic devices. PMID:27650138

Reactive transport in fractured porous media

NASA Astrophysics Data System (ADS)

Adler, P.; Jasinski, L.; Thovert, J.-F.; Mourzenko, V. V.

2012-04-01

Reactive flow through geological formations occurs in many situations due to human intervention or during natural processes. For instance, chemical dissolution and precipitation play a major role in diagenesis or in the formation of karsts. The quantitative description of the injection of a reacting fluid from a well into a fractured porous medium is also a subject of high interest. It can be provoked, as in the acidization stimulation technique for increasing well productivity, or accidental, in CO2 sequestration. Ideally, one wishes to analyze the improvements or damages caused by the fluid to the well itself and to its immediate surroundings. To this end, a coupled system of equations has to be solved. It includes the description of the flow in the porous matrix and in the fracture network by Darcy-like equations, and the description of the reactive solute transport and of the reactions which occur in the two structures. In addition, constitutive equations are required for the evolution of these two structures, such as evolution laws for permeability and reactivity as functions of porosity. Our discrete fracture numerical model involves three major steps. First, an unstructured tetrahedral mesh of the fractures and of the porous matrix is built. Second, the Darcy equations are discretized and solved, in a finite volume formulation. Third, the evolution of the solute concentration has to be calculated. This is the most difficult point if one wants to avoid numerical diffusion and accurately describe the transfers between the fractures and the matrix. A non linear flux limiting scheme of the Superbee type coupled with a systematic use of triple control volumes proved to be the most efficient. Various simple model situations have been considered, for validation purposes or to illustrate some physical points. In particular, it is shown that even when the matrix permeability is small and the flow is predominantly carried by the fracture network, convective exchanges still exist between the fractures and the matrix which can widely exceed diffusive ones and strongly affect the solute transport and its residence time distribution. Finally, simulations of passive and reactive solute transport have been performed in large samples containing percolating or non percolating fracture networks. Various parameters have been systematically investigated, including the transmissivity of the fractures, the flow regime characterized by Péclet numbers in the fractures and in the matrix, and the Damköhler numbers of the reaction process in the matrix and fractures. The passive transport behavior and the effect of the gradual clogging of the fractures and/or matrix pore space in the case of a precipitation process are analyzed.

Quiescent double barrier regime in the DIII-D tokamak.

PubMed

Greenfield, C M; Burrell, K H; DeBoo, J C; Doyle, E J; Stallard, B W; Synakowski, E J; Fenzi, C; Gohil, P; Groebner, R J; Lao, L L; Makowski, M A; McKee, G R; Moyer, R A; Rettig, C L; Rhodes, T L; Pinsker, R I; Staebler, G M; West, W P

2001-05-14

A new sustained high-performance regime, combining discrete edge and core transport barriers, has been discovered in the DIII-D tokamak. Edge localized modes (ELMs) are replaced by a steady oscillation that increases edge particle transport, thereby allowing particle control with no ELM-induced pulsed divertor heat load. The core barrier resembles those usually seen with a low (L) mode edge, without the degradation often associated with ELMs. The barriers are separated by a narrow region of high transport associated with a zero crossing in the E x B shearing rate.

Postphloem, Nonvascular Transfer in Citrus

PubMed Central

Koch, Karen E.; Avigne, Wayne T.

1990-01-01

Postphloem, nonvascular assimilate transport occurs over an unusually long area in citrus fruit and thus facilitates investigation of this process relative to sugar entry into many sink structures. Labeled photosynthates moving into juice tissues of grapefruit (Citrus paradisi Macf.) slowed dramatically after entering the postphloem transport path (parenchyma cells, narrow portions of segment epidermis, and hair-like, parenchymatous stalks of juice sacs). Kinetic, metabolic, and compositional data indicated that transfer through the nonvascular area was delayed many hours by temporary storage and/or equilibration with sugars in compartments along the postphloem path. Labeled assimilates were generally recovered as sucrose throughout the path, and extent of hexose formation enroute bore no apparent relationship to the assimilate transfer process. Even after 24 hours, radiolabel was restricted to discrete, highly localized areas directly between vascular bundles and juice sacs. Postphloem transfer occurred against an ascending sucrose concentration gradient in young fruit, whereas a descending gradient (favoring diffusion/cytoplasmic streaming) developed only later in maturation. Involvement of a postphloem bulk flow is complicated in the present instance by the extremely limited water loss from juice sacs either via transpiration or fluid backflow. Nonetheless, tissue expansion can account for a collective water inflow of at least 1.0 milliliter per day throughout the majority of juice sac development, thus providing a modest, but potentially important means of nonvascular solution flow. Overall, data indicate postphloem transfer (a) can follow highly localized paths through sizable nonvascular areas (up to 3.0 centimeters total), (b) appears to involve temporary storage and/or equilibration with compartmentalized sugars enroute, (c) can occur either against an overall up-hill sugar gradient (young tissues) or along a descending gradient (near full expansion), and (d) appears to involve at least some contribution by nonvascular mass flow accommodated by tissue expansion. Images Figure 1 Figure 4 PMID:16667632

On the consistency between nearest-neighbor peridynamic discretizations and discretized classical elasticity models

DOE PAGES

Seleson, Pablo; Du, Qiang; Parks, Michael L.

2016-08-16

The peridynamic theory of solid mechanics is a nonlocal reformulation of the classical continuum mechanics theory. At the continuum level, it has been demonstrated that classical (local) elasticity is a special case of peridynamics. Such a connection between these theories has not been extensively explored at the discrete level. This paper investigates the consistency between nearest-neighbor discretizations of linear elastic peridynamic models and finite difference discretizations of the Navier–Cauchy equation of classical elasticity. While nearest-neighbor discretizations in peridynamics have been numerically observed to present grid-dependent crack paths or spurious microcracks, this paper focuses on a different, analytical aspect of suchmore » discretizations. We demonstrate that, even in the absence of cracks, such discretizations may be problematic unless a proper selection of weights is used. Specifically, we demonstrate that using the standard meshfree approach in peridynamics, nearest-neighbor discretizations do not reduce, in general, to discretizations of corresponding classical models. We study nodal-based quadratures for the discretization of peridynamic models, and we derive quadrature weights that result in consistency between nearest-neighbor discretizations of peridynamic models and discretized classical models. The quadrature weights that lead to such consistency are, however, model-/discretization-dependent. We motivate the choice of those quadrature weights through a quadratic approximation of displacement fields. The stability of nearest-neighbor peridynamic schemes is demonstrated through a Fourier mode analysis. Finally, an approach based on a normalization of peridynamic constitutive constants at the discrete level is explored. This approach results in the desired consistency for one-dimensional models, but does not work in higher dimensions. The results of the work presented in this paper suggest that even though nearest-neighbor discretizations should be avoided in peridynamic simulations involving cracks, such discretizations are viable, for example for verification or validation purposes, in problems characterized by smooth deformations. Furthermore, we demonstrate that better quadrature rules in peridynamics can be obtained based on the functional form of solutions.« less

Modelling sheet-flow sediment transport in wave-bottom boundary layers using discrete-element modelling.

PubMed

Calantoni, Joseph; Holland, K Todd; Drake, Thomas G

2004-09-15

Sediment transport in oscillatory boundary layers is a process that drives coastal geomorphological change. Most formulae for bed-load transport in nearshore regions subsume the smallest-scale physics of the phenomena by parametrizing interactions amongst particles. In contrast, we directly simulate granular physics in the wave-bottom boundary layer using a discrete-element model comprised of a three-dimensional particle phase coupled to a one-dimensional fluid phase via Newton's third law through forces of buoyancy, drag and added mass. The particulate sediment phase is modelled using discrete particles formed to approximate natural grains by overlapping two spheres. Both the size of each sphere and the degree of overlap can be varied for these composite particles to generate a range of non-spherical grains. Simulations of particles having a range of shapes showed that the critical angle--the angle at which a grain pile will fail when tilted slowly from rest--increases from approximately 26 degrees for spherical particles to nearly 39 degrees for highly non-spherical composite particles having a dumbbell shape. Simulations of oscillatory sheet flow were conducted using composite particles with an angle of repose of approximately 33 degrees and a Corey shape factor greater than about 0.8, similar to the properties of beach sand. The results from the sheet-flow simulations with composite particles agreed more closely with laboratory measurements than similar simulations conducted using spherical particles. The findings suggest that particle shape may be an important factor for determining bed-load flux, particularly for larger bed slopes.

Apparatus and process for determining the susceptibility of microorganisms to antibiotics

NASA Technical Reports Server (NTRS)

Gibson, Sandra F. (Inventor); Fadler, Norman L. (Inventor)

1976-01-01

A process for determining the susceptibility of microorganisms to antibiotics involves introducing a diluted specimen into discrete quantities of a selective culture medium which favors a specific microorganism in that the microorganism is sustained by the medium and when so sustained will change the optical characteristics of the medium. Only the specific microorganism will alter the optical characteristics. Some of the discrete quantities are blended with known antibiotics, while at least one is not. If the specimen contains the microorganisms favored by the selective medium, the optical characteristics of the discrete quantity of pure selective medium, that is the one without antibiotics, will change. If the antibiotics in any of the other discrete quantities are ineffective against the favored microorganisms, the optical characteristics of those quantities will likewise change. No change in the optical characteristics of a discrete quantity indicates that the favored microorganism is susceptible to the antibiotic in the quantity.

Nonlinearity Analysis for Efficient Modelling of Long-Term CO2 Storage

NASA Astrophysics Data System (ADS)

Li, Boxiao; Benson, Sally; Tchelepi, Hamdi

2014-05-01

Numerical simulation is widely used to predict the long-term fate of the injected CO2 in a storage formation. Performing large-scale simulations is often limited by the computational speed, where convergence failure of Newton iterations is one of the main bottlenecks. In order to design better numerical schemes and faster nonlinear solvers for modelling long-term CO2 storage, the nonlinearity in the simulations has to be analysed thoroughly, and the cause of convergence failures has to be identified clearly. We focus on the transport of CO2 and water in the presence of viscous, gravity, and heterogeneous capillary forces. We investigate the nonlinearity of the discrete transport equation obtained from finite-volume discretization with single-point phase-based upstream weighting, which is the industry standard. In particular, we study the discretized flux expressed as a function of saturations at the upstream and downstream (with respect to the total velocity) of each gridblock interface. We analyse the locations and complexity of the unit-flux, zero-flux, and inflection lines on the numerical flux. The unit- and zero-flux lines, referred to as kinks, correspond to a change of the flow direction, which often occurs when strong buoyancy and capillarity are present. We observe that these kinks and inflection lines are major sources of nonlinear convergence difficulties. We find that kinks create more challenges than inflection lines, especially when their locations depend on both the upstream and downstream saturations of the total velocity. When the flow is driven by viscous and gravity forces (e.g., during CO2 injection), one kink will occur in the numerical flux and its location depends only on the upstream saturation. However, when capillarity is dominant (e.g., during the post-injection period), two kinks will occur and both are functions of the upstream and downstream saturations, causing severe convergence difficulties particularly when heterogeneity is present. Our analysis of the numerical flux theoretically describes the cause of the convergence failures for simulating long-term CO2 storage. This understanding provides useful guidance in designing numerical schemes and nonlinear solvers that overcome the convergence bottlenecks. For example, to reduce the nonlinearity introduced by the two kinks in the presence of capillarity, we modify the method of Cances (2009) to discretize the capillary flux. Consequently, only one kink will occur even for coupled viscous, buoyancy, and heterogeneous capillary forces, and the kink depends only on the upstream saturation of the total velocity. An efficient nonlinear solver that is a significant refinement of the works of Jenny et al. (2009) and Wang and Tchelepi (2013) has also been proposed and demonstrated. References [1] C. Cances. Finite volume scheme for two-phase flows in heterogeneous porous media involving capillary pressure discontinuities. ESAIM:M2AN., 43, 973-1001, (2009). [2] P. Jenny, H.A. Tchelepi, and S.H. Lee. Unconditionally convergent nonlinear solver for hyperbolic conservation laws with S-shaped flux functions. J. Comput. Phys., 228, 7497-7512, (2009). [3] X. Wang and H.A. Tchelepi. Trust-region based solver for nonlinear transport in heterogeneous porous media. J. Comput. Phys., 253, 114-137, (2013).

Continuum kinetic modeling of the tokamak plasma edge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dorf, M. A.; Dorr, M. R.; Hittinger, J. A.

2016-05-15

The first 4D (axisymmetric) high-order continuum gyrokinetic transport simulations that span the magnetic separatrix of a tokamak are presented. The modeling is performed with the COGENT code, which is distinguished by fourth-order finite-volume discretization combined with mapped multiblock grid technology to handle the strong anisotropy of plasma transport and the complex X-point divertor geometry with high accuracy. The calculations take into account the effects of fully nonlinear Fokker-Plank collisions, electrostatic potential variations, and anomalous radial transport. Topics discussed include: (a) ion orbit loss and the associated toroidal rotation and (b) edge plasma relaxation in the presence of anomalous radial transport.

A Green's function method for simulation of time-dependent solute transport and reaction in realistic microvascular geometries

PubMed Central

Secomb, Timothy W.

2016-01-01

A novel theoretical method is presented for simulating the spatially resolved convective and diffusive transport of reacting solutes between microvascular networks and the surrounding tissues. The method allows for efficient computational solution of problems involving convection and non-linear binding of solutes in blood flowing through microvascular networks with realistic 3D geometries, coupled with transvascular exchange and diffusion and reaction in the surrounding tissue space. The method is based on a Green's function approach, in which the solute concentration distribution in the tissue is expressed as a sum of fields generated by time-varying distributions of discrete sources and sinks. As an example of the application of the method, the washout of an inert diffusible tracer substance from a tissue region perfused by a network of microvessels is simulated, showing its dependence on the solute's transvascular permeability and tissue diffusivity. Exponential decay of the washout concentration is predicted, with rate constants that are about 10–30% lower than the rate constants for a tissue cylinder model with the same vessel length, vessel surface area and blood flow rate per tissue volume. PMID:26443811

Numerical Solution of 3D Poisson-Nernst-Planck Equations Coupled with Classical Density Functional Theory for Modeling Ion and Electron Transport in a Confined Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Da; Zheng, Bin; Lin, Guang

2014-08-29

We have developed efficient numerical algorithms for the solution of 3D steady-state Poisson-Nernst-Planck equations (PNP) with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are discretized by finite difference scheme and solved iteratively by Gummel method with relaxation. The Nernst-Planck equations are transformed into Laplace equations through the Slotboom transformation. Algebraic multigrid method is then applied to efficiently solve the Poisson equation and the transformed Nernst-Planck equations. A novel strategy for calculating excess chemical potentials through fast Fourier transforms is proposed which reduces computational complexity from O(N2) to O(NlogN) where N is themore » number of grid points. Integrals involving Dirac delta function are evaluated directly by coordinate transformation which yields more accurate result compared to applying numerical quadrature to an approximated delta function. Numerical results for ion and electron transport in solid electrolyte for Li ion batteries are shown to be in good agreement with the experimental data and the results from previous studies.« less

Cellular modelling of secondary radial growth in conifer trees: application to Pinus radiata (D. Don).

PubMed

Forest, Loïc; Demongeot, Jacques; Demongeota, Jacques

2006-05-01

The radial growth of conifer trees proceeds from the dynamics of a merismatic tissue called vascular cambium or cambium. Cambium is a thin layer of active proliferating cells. The purpose of this paper was to model the main characteristics of cambial activity and its consecutive radial growth. Cell growth is under the control of the auxin hormone indole-3-acetic. The model is composed of a discrete part, which accounts for cellular proliferation, and a continuous part involving the transport of auxin. Cambium is modeled in a two-dimensional cross-section by a cellular automaton that describes the set of all its constitutive cells. Proliferation is defined as growth and division of cambial cells under neighbouring constraints, which can eliminate some cells from the cambium. The cell-growth rate is determined from auxin concentration, calculated with the continuous model. We studied the integration of each elementary cambial cell activity into the global coherent movement of macroscopic morphogenesis. Cases of normal and abnormal growth of Pinus radiata (D. Don) are modelled. Abnormal growth includes deformed trees where gravity influences auxin transport, producing heterogeneous radial growth. Cross-sectional microscopic views are also provided to validate the model's hypothesis and results.

Channel lining with fiber reinforced shotcrete

DOT National Transportation Integrated Search

1992-07-01

The Arizona Department of Transportation (ADOT) has used four brands of discrete synthetic fibers in a drainage outfall channel lining as part of construction project ACI-10-3(270). The use of the fibers was intended to test the constructibility and ...

Game Theoretic Approaches to Protect Cyberspace

DTIC Science & Technology

2010-04-20

security problems. 3.1 Definitions Game A description of the strategic interaction between opposing, or co-operating, interests where the con ...that involves probabilistic transitions through several states of the system. The game pro - gresses as a sequence of states. The game begins with a...eventually leads to a discretized model. The reaction functions uniquely minimize the strictly con - vex cost functions. After discretization, this

Avoiding and Correcting Bias in Score-Based Latent Variable Regression with Discrete Manifest Items

ERIC Educational Resources Information Center

Lu, Irene R. R.; Thomas, D. Roland

2008-01-01

This article considers models involving a single structural equation with latent explanatory and/or latent dependent variables where discrete items are used to measure the latent variables. Our primary focus is the use of scores as proxies for the latent variables and carrying out ordinary least squares (OLS) regression on such scores to estimate…

A Discrete Population of Neurons in the Lateral Amygdala Is Specifically Activated by Contextual Fear Conditioning

ERIC Educational Resources Information Center

Wilson, Yvette M.; Murphy, Mark

2009-01-01

There is no clear identification of the neurons involved in fear conditioning in the amygdala. To search for these neurons, we have used a genetic approach, the "fos-tau-lacZ" (FTL) mouse, to map functionally activated expression in neurons following contextual fear conditioning. We have identified a discrete population of neurons in the lateral…

Monte Carlo simulation of radiation transport in human skin with rigorous treatment of curved tissue boundaries

NASA Astrophysics Data System (ADS)

Majaron, Boris; Milanič, Matija; Premru, Jan

2015-01-01

In three-dimensional (3-D) modeling of light transport in heterogeneous biological structures using the Monte Carlo (MC) approach, space is commonly discretized into optically homogeneous voxels by a rectangular spatial grid. Any round or oblique boundaries between neighboring tissues thus become serrated, which raises legitimate concerns about the realism of modeling results with regard to reflection and refraction of light on such boundaries. We analyze the related effects by systematic comparison with an augmented 3-D MC code, in which analytically defined tissue boundaries are treated in a rigorous manner. At specific locations within our test geometries, energy deposition predicted by the two models can vary by 10%. Even highly relevant integral quantities, such as linear density of the energy absorbed by modeled blood vessels, differ by up to 30%. Most notably, the values predicted by the customary model vary strongly and quite erratically with the spatial discretization step and upon minor repositioning of the computational grid. Meanwhile, the augmented model shows no such unphysical behavior. Artifacts of the former approach do not converge toward zero with ever finer spatial discretization, confirming that it suffers from inherent deficiencies due to inaccurate treatment of reflection and refraction at round tissue boundaries.

Multi-scale modeling of irradiation effects in spallation neutron source materials

NASA Astrophysics Data System (ADS)

Yoshiie, T.; Ito, T.; Iwase, H.; Kaneko, Y.; Kawai, M.; Kishida, I.; Kunieda, S.; Sato, K.; Shimakawa, S.; Shimizu, F.; Hashimoto, S.; Hashimoto, N.; Fukahori, T.; Watanabe, Y.; Xu, Q.; Ishino, S.

2011-07-01

Changes in mechanical property of Ni under irradiation by 3 GeV protons were estimated by multi-scale modeling. The code consisted of four parts. The first part was based on the Particle and Heavy-Ion Transport code System (PHITS) code for nuclear reactions, and modeled the interactions between high energy protons and nuclei in the target. The second part covered atomic collisions by particles without nuclear reactions. Because the energy of the particles was high, subcascade analysis was employed. The direct formation of clusters and the number of mobile defects were estimated using molecular dynamics (MD) and kinetic Monte-Carlo (kMC) methods in each subcascade. The third part considered damage structural evolutions estimated by reaction kinetic analysis. The fourth part involved the estimation of mechanical property change using three-dimensional discrete dislocation dynamics (DDD). Using the above four part code, stress-strain curves for high energy proton irradiated Ni were obtained.

BRYNTRN: A baryon transport computer code, computation procedures and data base

NASA Technical Reports Server (NTRS)

Wilson, John W.; Townsend, Lawrence W.; Chun, Sang Y.; Buck, Warren W.; Khan, Ferdous; Cucinotta, Frank

1988-01-01

The development is described of an interaction data base and a numerical solution to the transport of baryons through the arbitrary shield material based on a straight ahead approximation of the Boltzmann equation. The code is most accurate for continuous energy boundary values but gives reasonable results for discrete spectra at the boundary with even a relatively coarse energy grid (30 points) and large spatial increments (1 cm in H2O).

Recovery Act. Development and Validation of an Advanced Stimulation Prediction Model for Enhanced Geothermal System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gutierrez, Marte

The research project aims to develop and validate an advanced computer model that can be used in the planning and design of stimulation techniques to create engineered reservoirs for Enhanced Geothermal Systems. The specific objectives of the proposal are to: 1) Develop a true three-dimensional hydro-thermal fracturing simulator that is particularly suited for EGS reservoir creation. 2) Perform laboratory scale model tests of hydraulic fracturing and proppant flow/transport using a polyaxial loading device, and use the laboratory results to test and validate the 3D simulator. 3) Perform discrete element/particulate modeling of proppant transport in hydraulic fractures, and use the resultsmore » to improve understand of proppant flow and transport. 4) Test and validate the 3D hydro-thermal fracturing simulator against case histories of EGS energy production. 5) Develop a plan to commercialize the 3D fracturing and proppant flow/transport simulator. The project is expected to yield several specific results and benefits. Major technical products from the proposal include: 1) A true-3D hydro-thermal fracturing computer code that is particularly suited to EGS, 2) Documented results of scale model tests on hydro-thermal fracturing and fracture propping in an analogue crystalline rock, 3) Documented procedures and results of discrete element/particulate modeling of flow and transport of proppants for EGS applications, and 4) Database of monitoring data, with focus of Acoustic Emissions (AE) from lab scale modeling and field case histories of EGS reservoir creation.« less

Recovery Act. Development and Validation of an Advanced Stimulation Prediction Model for Enhanced Geothermal Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gutierrez, Marte

2013-12-31

This research project aims to develop and validate an advanced computer model that can be used in the planning and design of stimulation techniques to create engineered reservoirs for Enhanced Geothermal Systems. The specific objectives of the proposal are to; Develop a true three-dimensional hydro-thermal fracturing simulator that is particularly suited for EGS reservoir creation; Perform laboratory scale model tests of hydraulic fracturing and proppant flow/transport using a polyaxial loading device, and use the laboratory results to test and validate the 3D simulator; Perform discrete element/particulate modeling of proppant transport in hydraulic fractures, and use the results to improve understandmore » of proppant flow and transport; Test and validate the 3D hydro-thermal fracturing simulator against case histories of EGS energy production; and Develop a plan to commercialize the 3D fracturing and proppant flow/transport simulator. The project is expected to yield several specific results and benefits. Major technical products from the proposal include; A true-3D hydro-thermal fracturing computer code that is particularly suited to EGS; Documented results of scale model tests on hydro-thermal fracturing and fracture propping in an analogue crystalline rock; Documented procedures and results of discrete element/particulate modeling of flow and transport of proppants for EGS applications; and Database of monitoring data, with focus of Acoustic Emissions (AE) from lab scale modeling and field case histories of EGS reservoir creation.« less

Anomalous transport in disordered fracture networks: Spatial Markov model for dispersion with variable injection modes

NASA Astrophysics Data System (ADS)

Kang, Peter K.; Dentz, Marco; Le Borgne, Tanguy; Lee, Seunghak; Juanes, Ruben

2017-08-01

We investigate tracer transport on random discrete fracture networks that are characterized by the statistics of the fracture geometry and hydraulic conductivity. While it is well known that tracer transport through fractured media can be anomalous and particle injection modes can have major impact on dispersion, the incorporation of injection modes into effective transport modeling has remained an open issue. The fundamental reason behind this challenge is that-even if the Eulerian fluid velocity is steady-the Lagrangian velocity distribution experienced by tracer particles evolves with time from its initial distribution, which is dictated by the injection mode, to a stationary velocity distribution. We quantify this evolution by a Markov model for particle velocities that are equidistantly sampled along trajectories. This stochastic approach allows for the systematic incorporation of the initial velocity distribution and quantifies the interplay between velocity distribution and spatial and temporal correlation. The proposed spatial Markov model is characterized by the initial velocity distribution, which is determined by the particle injection mode, the stationary Lagrangian velocity distribution, which is derived from the Eulerian velocity distribution, and the spatial velocity correlation length, which is related to the characteristic fracture length. This effective model leads to a time-domain random walk for the evolution of particle positions and velocities, whose joint distribution follows a Boltzmann equation. Finally, we demonstrate that the proposed model can successfully predict anomalous transport through discrete fracture networks with different levels of heterogeneity and arbitrary tracer injection modes.

14 CFR 29.571 - Fatigue evaluation of structure.

Code of Federal Regulations, 2011 CFR

2011-01-01

... AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Strength Requirements Fatigue Evaluation... fatigue, considering the effects of environment, intrinsic/discrete flaws, or accidental damage will be avoided. Parts to be evaluated include, but are not limited to, rotors, rotor drive systems between the...

DISCRETE VOLUME-ELEMENT METHOD FOR NETWORK WATER- QUALITY MODELS

EPA Science Inventory

An explicit dynamic water-quality modeling algorithm is developed for tracking dissolved substances in water-distribution networks. The algorithm is based on a mass-balance relation within pipes that considers both advective transport and reaction kinetics. Complete mixing of m...

14 CFR 29.571 - Fatigue evaluation of structure.

Code of Federal Regulations, 2010 CFR

2010-01-01

... AIRCRAFT AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY ROTORCRAFT Strength Requirements Fatigue Evaluation... fatigue, considering the effects of environment, intrinsic/discrete flaws, or accidental damage will be avoided. Parts to be evaluated include, but are not limited to, rotors, rotor drive systems between the...

On discrete control of nonlinear systems with applications to robotics

NASA Technical Reports Server (NTRS)

Eslami, Mansour

1989-01-01

Much progress has been reported in the areas of modeling and control of nonlinear dynamic systems in a continuous-time framework. From implementation point of view, however, it is essential to study these nonlinear systems directly in a discrete setting that is amenable for interfacing with digital computers. But to develop discrete models and discrete controllers for a nonlinear system such as robot is a nontrivial task. Robot is also inherently a variable-inertia dynamic system involving additional complications. Not only the computer-oriented models of these systems must satisfy the usual requirements for such models, but these must also be compatible with the inherent capabilities of computers and must preserve the fundamental physical characteristics of continuous-time systems such as the conservation of energy and/or momentum. Preliminary issues regarding discrete systems in general and discrete models of a typical industrial robot that is developed with full consideration of the principle of conservation of energy are presented. Some research on the pertinent tactile information processing is reviewed. Finally, system control methods and how to integrate these issues in order to complete the task of discrete control of a robot manipulator are also reviewed.

Lattice Wigner equation.

PubMed

Solórzano, S; Mendoza, M; Succi, S; Herrmann, H J

2018-01-01

We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta retained in the discretization, which also determines the accuracy of the method. The Wigner equation is equipped with an additional collision operator, designed in such a way as to ensure numerical stability without affecting the evolution of the relevant moments of the Wigner function. The lattice Wigner scheme is validated for the case of quantum harmonic and anharmonic potentials, showing good agreement with theoretical results. It is further applied to the study of the transport properties of one- and two-dimensional open quantum systems with potential barriers. Finally, the computational viability of the scheme for the case of three-dimensional open systems is also illustrated.

Lattice Wigner equation

NASA Astrophysics Data System (ADS)

Solórzano, S.; Mendoza, M.; Succi, S.; Herrmann, H. J.

2018-01-01

We present a numerical scheme to solve the Wigner equation, based on a lattice discretization of momentum space. The moments of the Wigner function are recovered exactly, up to the desired order given by the number of discrete momenta retained in the discretization, which also determines the accuracy of the method. The Wigner equation is equipped with an additional collision operator, designed in such a way as to ensure numerical stability without affecting the evolution of the relevant moments of the Wigner function. The lattice Wigner scheme is validated for the case of quantum harmonic and anharmonic potentials, showing good agreement with theoretical results. It is further applied to the study of the transport properties of one- and two-dimensional open quantum systems with potential barriers. Finally, the computational viability of the scheme for the case of three-dimensional open systems is also illustrated.

Understanding water column and streambed thermal refugia for endangered mussels in the Delaware River

USGS Publications Warehouse

Briggs, Martin A.; Voytek, Emily B.; Day-Lewis, Frederick D.; Rosenberry, Donald O.; Lane, John W.

2013-01-01

Groundwater discharge locations along the upper Delaware River, both discrete bank seeps and diffuse streambed upwelling, may create thermal niche environments that benefit the endangered dwarf wedgemussel (Alasmidonta heterodon). We seek to identify whether discrete or diffuse groundwater inflow is the dominant control on refugia. Numerous springs and seeps were identified at all locations where dwarf wedgemussels still can be found. Infrared imagery and custom high spatial resolution fiber-optic distributed temperature sensors reveal complex thermal dynamics at one of the seeps with a relatively stable, cold groundwater plume extending along the streambed/water-column interface during mid-summer. This plume, primarily fed by a discrete bank seep, was shown through analytical and numerical heat-transport modeling to dominate temperature dynamics in the region of potential habitation by the adult dwarf wedgemussel.

Accuracy of an unstructured-grid upwind-Euler algorithm for the ONERA M6 wing

NASA Technical Reports Server (NTRS)

Batina, John T.

1991-01-01

Improved algorithms for the solution of the three-dimensional, time-dependent Euler equations are presented for aerodynamic analysis involving unstructured dynamic meshes. The improvements have been developed recently to the spatial and temporal discretizations used by unstructured-grid flow solvers. The spatial discretization involves a flux-split approach that is naturally dissipative and captures shock waves sharply with at most one grid point within the shock structure. The temporal discretization involves either an explicit time-integration scheme using a multistage Runge-Kutta procedure or an implicit time-integration scheme using a Gauss-Seidel relaxation procedure, which is computationally efficient for either steady or unsteady flow problems. With the implicit Gauss-Seidel procedure, very large time steps may be used for rapid convergence to steady state, and the step size for unsteady cases may be selected for temporal accuracy rather than for numerical stability. Steady flow results are presented for both the NACA 0012 airfoil and the Office National d'Etudes et de Recherches Aerospatiales M6 wing to demonstrate applications of the new Euler solvers. The paper presents a description of the Euler solvers along with results and comparisons that assess the capability.

The Molecular Density of States in Bacterial Nanowires

PubMed Central

El-Naggar, Mohamed Y.; Gorby, Yuri A.; Xia, Wei; Nealson, Kenneth H.

2008-01-01

The recent discovery of electrically conductive bacterial appendages has significant physiological, ecological, and biotechnological implications, but the mechanism of electron transport in these nanostructures remains unclear. We here report quantitative measurements of transport across bacterial nanowires produced by the dissimilatory metal-reducing bacterium, Shewanella oneidensis MR-1, whose electron transport system is being investigated for renewable energy recovery in microbial fuel cells and bioremediation of heavy metals and radionuclides. The Shewanella nanowires display a surprising nonlinear electrical transport behavior, where the voltage dependence of the conductance reveals peaks indicating discrete energy levels with higher electronic density of states. Our results indicate that the molecular constituents along the Shewanella nanowires possess an intricate electronic structure that plays a role in mediating transport. PMID:18441026

Alternative-Specific and Case-Specific Factors Involved in the Decisions of Islamic School Teachers Affecting Teacher Retention: A Discrete Choice Experiment

ERIC Educational Resources Information Center

Abd-El-Hafez, Alaa Karem

2015-01-01

Teacher retention is a concern in all educational sectors in America. It is of special importance to Islamic schools, which tend to lack the resources necessary in recruiting and training new teachers. This dissertation addressed this problem in full-time Islamic schools in New York State by conducting a discrete choice experiment, which reflects…

Stochastic Adaptive Estimation and Control.

DTIC Science & Technology

1994-10-26

Marcus, "Language Stability and Stabilizability of Discrete Event Dynamical Systems ," SIAM Journal on Control and Optimization, 31, September 1993...in the hierarchical control of flexible manufacturing systems ; in this problem, the model involves a hybrid process in continuous time whose state is...of the average cost control problem for discrete- time Markov processes. Our exposition covers from finite to Borel state and action spaces and

Influence of injection mode on transport properties in kilometer-scale three-dimensional discrete fracture networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyman, Jeffrey De'Haven; Painter, S. L.; Viswanathan, H.

We investigate how the choice of injection mode impacts transport properties in kilometer-scale three-dimensional discrete fracture networks (DFN). The choice of injection mode, resident and flux-weighted, is designed to mimic different physical phenomena. It has been hypothesized that solute plumes injected under resident conditions evolve to behave similarly to solutes injected under flux-weighted conditions. Previously, computational limitations have prohibited the large-scale simulations required to investigate this hypothesis. We investigate this hypothesis by using a high-performance DFN suite, dfnWorks, to simulate flow in kilometer-scale three-dimensional DFNs based on fractured granite at the Forsmark site in Sweden, and adopt a Lagrangian approachmore » to simulate transport therein. Results show that after traveling through a pre-equilibrium region, both injection methods exhibit linear scaling of the first moment of travel time and power law scaling of the breakthrough curve with similar exponents, slightly larger than 2. Lastly, the physical mechanisms behind this evolution appear to be the combination of in-network channeling of mass into larger fractures, which offer reduced resistance to flow, and in-fracture channeling, which results from the topology of the DFN.« less

Crystalline and Crystalline International Disposal Activities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Viswanathan, Hari S.; Chu, Shaoping; Dittrich, Timothy M.

This report presents the results of work conducted between September 2015 and July 2016 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program. Los Alamos focused on two main activities during this period: Discrete fracture network (DFN) modeling to describe flow and radionuclide transport in complex fracture networks that are typical of crystalline rock environments, and a comprehensive interpretation of three different colloid-facilitated radionuclide transport experiments conducted in a fractured granodiorite at the Grimsel Test Site in Switzerland betweenmore » 2002 and 2013. Chapter 1 presents the results of the DFN work and is divided into three main sections: (1) we show results of our recent study on the correlation between fracture size and fracture transmissivity (2) we present an analysis and visualization prototype using the concept of a flow topology graph for characterization of discrete fracture networks, and (3) we describe the Crystalline International work in support of the Swedish Task Force. Chapter 2 presents interpretation of the colloidfacilitated radionuclide transport experiments in the crystalline rock at the Grimsel Test Site.« less

Influence of injection mode on transport properties in kilometer-scale three-dimensional discrete fracture networks

DOE PAGES

Hyman, Jeffrey De'Haven; Painter, S. L.; Viswanathan, H.; ...

2015-09-12

We investigate how the choice of injection mode impacts transport properties in kilometer-scale three-dimensional discrete fracture networks (DFN). The choice of injection mode, resident and flux-weighted, is designed to mimic different physical phenomena. It has been hypothesized that solute plumes injected under resident conditions evolve to behave similarly to solutes injected under flux-weighted conditions. Previously, computational limitations have prohibited the large-scale simulations required to investigate this hypothesis. We investigate this hypothesis by using a high-performance DFN suite, dfnWorks, to simulate flow in kilometer-scale three-dimensional DFNs based on fractured granite at the Forsmark site in Sweden, and adopt a Lagrangian approachmore » to simulate transport therein. Results show that after traveling through a pre-equilibrium region, both injection methods exhibit linear scaling of the first moment of travel time and power law scaling of the breakthrough curve with similar exponents, slightly larger than 2. Lastly, the physical mechanisms behind this evolution appear to be the combination of in-network channeling of mass into larger fractures, which offer reduced resistance to flow, and in-fracture channeling, which results from the topology of the DFN.« less

Discrete-continuous variable structural synthesis using dual methods

NASA Technical Reports Server (NTRS)

Schmit, L. A.; Fleury, C.

1980-01-01

Approximation concepts and dual methods are extended to solve structural synthesis problems involving a mix of discrete and continuous sizing type of design variables. Pure discrete and pure continuous variable problems can be handled as special cases. The basic mathematical programming statement of the structural synthesis problem is converted into a sequence of explicit approximate primal problems of separable form. These problems are solved by constructing continuous explicit dual functions, which are maximized subject to simple nonnegativity constraints on the dual variables. A newly devised gradient projection type of algorithm called DUAL 1, which includes special features for handling dual function gradient discontinuities that arise from the discrete primal variables, is used to find the solution of each dual problem. Computational implementation is accomplished by incorporating the DUAL 1 algorithm into the ACCESS 3 program as a new optimizer option. The power of the method set forth is demonstrated by presenting numerical results for several example problems, including a pure discrete variable treatment of a metallic swept wing and a mixed discrete-continuous variable solution for a thin delta wing with fiber composite skins.

Some Remarks on GMRES for Transport Theory

NASA Technical Reports Server (NTRS)

Patton, Bruce W.; Holloway, James Paul

2003-01-01

We review some work on the application of GMRES to the solution of the discrete ordinates transport equation in one-dimension. We note that GMRES can be applied directly to the angular flux vector, or it can be applied to only a vector of flux moments as needed to compute the scattering operator of the transport equation. In the former case we illustrate both the delights and defects of ILU right-preconditioners for problems with anisotropic scatter and for problems with upscatter. When working with flux moments we note that GMRES can be used as an accelerator for any existing transport code whose solver is based on a stationary fixed-point iteration, including transport sweeps and DSA transport sweeps. We also provide some numerical illustrations of this idea. We finally show how space can be traded for speed by taking multiple transport sweeps per GMRES iteration. Key Words: transport equation, GMRES, Krylov subspace

Systems Operations Studies for Automated Guideway Transit Systems : Discrete Event Simulation Model User's Manual.

DOT National Transportation Integrated Search

1982-06-01

In order to examine specific Automated Guideway Transit (AGT) developments and concepts, and to build a better knowledge base for future decision-making, the Urban Mass Transportation Administration (UMTA) undertook a new program of studies and techn...

Donor and recipient regions: The biogeography of macrobenthic invaders

EPA Science Inventory

Aquatic invaders are a major threat to ecological integrity and biodiversity of marine, estuarine, and freshwater ecosystems around the world. These invaders have been successful in passing through four discrete phases in their invasion of a new environment: (1) transport, (2) ...

Computational physical oceanography -- A comprehensive approach based on generalized CFD/grid techniques for planetary scale simulations of oceanic flows. Final report, September 1, 1995--August 31, 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beddhu, M.; Jiang, M.Y.; Whitfield, D.L.

The original intention for this work was to impart the technology that was developed in the field of computational aeronautics to the field of computational physical oceanography. This technology transfer involved grid generation techniques and solution procedures to solve the governing equations over the grids thus generated. Specifically, boundary fitting non-orthogonal grids would be generated over a sphere taking into account the topography of the ocean floor and the topography of the continents. The solution methodology to be employed involved the application of an upwind, finite volume discretization procedure that uses higher order numerical fluxes at the cell faces tomore » discretize the governing equations and an implicit Newton relaxation technique to solve the discretized equations. This report summarizes the efforts put forth during the past three years to achieve these goals and indicates the future direction of this work as it is still an ongoing effort.« less

Tracking the fear memory engram: discrete populations of neurons within amygdala, hypothalamus, and lateral septum are specifically activated by auditory fear conditioning.

PubMed

Butler, Christopher W; Wilson, Yvette M; Gunnersen, Jenny M; Murphy, Mark

2015-08-01

Memory formation is thought to occur via enhanced synaptic connectivity between populations of neurons in the brain. However, it has been difficult to localize and identify the neurons that are directly involved in the formation of any specific memory. We have previously used fos-tau-lacZ (FTL) transgenic mice to identify discrete populations of neurons in amygdala and hypothalamus, which were specifically activated by fear conditioning to a context. Here we have examined neuronal activation due to fear conditioning to a more specific auditory cue. Discrete populations of learning-specific neurons were identified in only a small number of locations in the brain, including those previously found to be activated in amygdala and hypothalamus by context fear conditioning. These populations, each containing only a relatively small number of neurons, may be directly involved in fear learning and memory. © 2015 Butler et al.; Published by Cold Spring Harbor Laboratory Press.

Finite Element in Angle Unit Sphere Meshing for Charged Particle Transport.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ortega, Mario Ivan; Drumm, Clifton R.

Finite element in angle formulations of the charged particle transport equation require the discretization of the unit sphere. In Sceptre, a three-dimensional surface mesh of a sphere is transformed into a two-dimensional mesh. Projection of a sphere onto a two-dimensional surface is well studied with map makers spending the last few centuries attempting to create maps that preserve proportion and area. Using these techniques, various meshing schemes for the unit sphere were investigated.

A new least-squares transport equation compatible with voids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, J. B.; Morel, J. E.

2013-07-01

We define a new least-squares transport equation that is applicable in voids, can be solved using source iteration with diffusion-synthetic acceleration, and requires only the solution of an independent set of second-order self-adjoint equations for each direction during each source iteration. We derive the equation, discretize it using the S{sub n} method in conjunction with a linear-continuous finite-element method in space, and computationally demonstrate various of its properties. (authors)

Analytic approach to photoelectron transport.

NASA Technical Reports Server (NTRS)

Stolarski, R. S.

1972-01-01

The equation governing the transport of photoelectrons in the ionosphere is shown to be equivalent to the equation of radiative transfer. In the single-energy approximation this equation is solved in closed form by the method of discrete ordinates for isotropic scattering and for a single-constituent atmosphere. The results include prediction of the angular distribution of photoelectrons at all altitudes and, in particular, the angular distribution of the escape flux. The implications of these solutions in real atmosphere calculations are discussed.

Fracture size and transmissivity correlations: Implications for transport simulations in sparse three-dimensional discrete fracture networks following a truncated power law distribution of fracture size

NASA Astrophysics Data System (ADS)

Hyman, J. D.; Aldrich, G.; Viswanathan, H.; Makedonska, N.; Karra, S.

2016-08-01

We characterize how different fracture size-transmissivity relationships influence flow and transport simulations through sparse three-dimensional discrete fracture networks. Although it is generally accepted that there is a positive correlation between a fracture's size and its transmissivity/aperture, the functional form of that relationship remains a matter of debate. Relationships that assume perfect correlation, semicorrelation, and noncorrelation between the two have been proposed. To study the impact that adopting one of these relationships has on transport properties, we generate multiple sparse fracture networks composed of circular fractures whose radii follow a truncated power law distribution. The distribution of transmissivities are selected so that the mean transmissivity of the fracture networks are the same and the distributions of aperture and transmissivity in models that include a stochastic term are also the same. We observe that adopting a correlation between a fracture size and its transmissivity leads to earlier breakthrough times and higher effective permeability when compared to networks where no correlation is used. While fracture network geometry plays the principal role in determining where transport occurs within the network, the relationship between size and transmissivity controls the flow speed. These observations indicate DFN modelers should be aware that breakthrough times and effective permeabilities can be strongly influenced by such a relationship in addition to fracture and network statistics.

Fracture size and transmissivity correlations: Implications for transport simulations in sparse three-dimensional discrete fracture networks following a truncated power law distribution of fracture size

NASA Astrophysics Data System (ADS)

Hyman, J.; Aldrich, G. A.; Viswanathan, H. S.; Makedonska, N.; Karra, S.

2016-12-01

We characterize how different fracture size-transmissivity relationships influence flow and transport simulations through sparse three-dimensional discrete fracture networks. Although it is generally accepted that there is a positive correlation between a fracture's size and its transmissivity/aperture, the functional form of that relationship remains a matter of debate. Relationships that assume perfect correlation, semi-correlation, and non-correlation between the two have been proposed. To study the impact that adopting one of these relationships has on transport properties, we generate multiple sparse fracture networks composed of circular fractures whose radii follow a truncated power law distribution. The distribution of transmissivities are selected so that the mean transmissivity of the fracture networks are the same and the distributions of aperture and transmissivity in models that include a stochastic term are also the same.We observe that adopting a correlation between a fracture size and its transmissivity leads to earlier breakthrough times and higher effective permeability when compared to networks where no correlation is used. While fracture network geometry plays the principal role in determining where transport occurs within the network, the relationship between size and transmissivity controls the flow speed. These observations indicate DFN modelers should be aware that breakthrough times and effective permeabilities can be strongly influenced by such a relationship in addition to fracture and network statistics.

On degenerate coupled transport processes in porous media with memory phenomena

NASA Astrophysics Data System (ADS)

Beneš, Michal; Pažanin, Igor

2018-06-01

In this paper we prove the existence of weak solutions to degenerate parabolic systems arising from the fully coupled moisture movement, solute transport of dissolved species and heat transfer through porous materials. Physically relevant mixed Dirichlet-Neumann boundary conditions and initial conditions are considered. Existence of a global weak solution of the problem is proved by means of semidiscretization in time, proving necessary uniform estimates and by passing to the limit from discrete approximations. Degeneration occurs in the nonlinear transport coefficients which are not assumed to be bounded below and above by positive constants. Degeneracies in transport coefficients are overcome by proving suitable a-priori $L^{\\infty}$-estimates based on De Giorgi and Moser iteration technique.

Eros: Shape, topography, and slope processes

USGS Publications Warehouse

Thomas, P.C.; Joseph, J.; Carcich, B.; Veverka, J.; Clark, B.E.; Bell, J.F.; Byrd, A.W.; Chomko, R.; Robinson, M.; Murchie, S.; Prockter, L.; Cheng, A.; Izenberg, N.; Malin, M.; Chapman, C.; McFadden, L.A.; Kirk, R.; Gaffey, M.; Lucey, P.G.

2002-01-01

Stereogrammetric measurement of the shape of Eros using images obtained by NEAR's Multispectral Imager provides a survey of the major topographic features and slope processes on this asteroid. This curved asteroid has radii ranging from 3.1 to 17.7 km and a volume of 2535 ?? 20 km3. The center of figure is within 52 m of the center of mass provided by the Navigation team; this minimal difference suggests that there are only modest variations in density or porosity within the asteroid. Three large depressions 10, 8, and 5.3 km across represent different stages of degradation of large impact craters. Slopes on horizontal scales of ???300 m are nearly all less than 35??, although locally scarps are much steeper. The area distribution of slopes is similar to those on Ida, Phobos, and Deimos. Regions that have slopes greater than 25?? have distinct brighter markings and have fewer large ejecta blocks than do flatter areas. The albedo patterns that suggest downslope transport of regolith have sharper boundaries than those on Phobos, Deimos, and Gaspra. The morphology of the albedo patterns, their lack of discrete sources, and their concentration on steeper slopes suggest transport mechanisms different from those on the previously well-observed small bodies, perhaps due to a reduced relative effectiveness of impact gardening on Eros. Regolith is also transported in talus cones and in connected, sinuous paths extending as much as 2 km, with some evident as relatively darker material. Talus material in at least one area is a discrete superposed unit, a feature not resolved on other small bodies. Flat-floored craters that apparently contain ponded material also suggest discrete units that are not well mixed by impacts. ?? 2002 Elsevier Science (USA).

An analysis of numerical convergence in discrete velocity gas dynamics for internal flows

NASA Astrophysics Data System (ADS)

Sekaran, Aarthi; Varghese, Philip; Goldstein, David

2018-07-01

The Discrete Velocity Method (DVM) for solving the Boltzmann equation has significant advantages in the modeling of non-equilibrium and near equilibrium flows as compared to other methods in terms of reduced statistical noise, faster solutions and the ability to handle transient flows. Yet the DVM performance for rarefied flow in complex, small-scale geometries, in microelectromechanical (MEMS) devices for instance, is yet to be studied in detail. The present study focuses on the performance of the DVM for locally large Knudsen number flows of argon around sharp corners and other sources for discontinuities in the distribution function. Our analysis details the nature of the solution for some benchmark cases and introduces the concept of solution convergence for the transport terms in the discrete velocity Boltzmann equation. The limiting effects of the velocity space discretization are also investigated and the constraints on obtaining a robust, consistent solution are derived. We propose techniques to maintain solution convergence and demonstrate the implementation of a specific strategy and its effect on the fidelity of the solution for some benchmark cases.

Discrete linear canonical transforms based on dilated Hermite functions.

PubMed

Pei, Soo-Chang; Lai, Yun-Chiu

2011-08-01

Linear canonical transform (LCT) is very useful and powerful in signal processing and optics. In this paper, discrete LCT (DLCT) is proposed to approximate LCT by utilizing the discrete dilated Hermite functions. The Wigner distribution function is also used to investigate DLCT performances in the time-frequency domain. Compared with the existing digital computation of LCT, our proposed DLCT possess additivity and reversibility properties with no oversampling involved. In addition, the length of input/output signals will not be changed before and after the DLCT transformations, which is consistent with the time-frequency area-preserving nature of LCT; meanwhile, the proposed DLCT has very good approximation of continuous LCT.

Investigation of light scattering as a technique for detecting discrete soot particles in a luminous flame

NASA Technical Reports Server (NTRS)

1978-01-01

The practicability of using a classical light-scattering technique, involving comparison of angular scattering intensity patterns with theoretically determined Mie and Rayleight patterns, to detect discrete soot particles (diameter less than 50 nm) in premixed propane/air and propane/oxygen-helium flames is considered. The experimental apparatus employed in this investigation included a laser light source, a flat-flame burner, specially coated optics, a cooled photomultiplier detector, and a lock-in voltmeter readout. Although large, agglomerated soot particles were detected and sized, it was not possible to detect small, discrete particles. The limiting factor appears to be background scattering by the system's optics.

Bivariate spline solution of time dependent nonlinear PDE for a population density over irregular domains.

PubMed

Gutierrez, Juan B; Lai, Ming-Jun; Slavov, George

2015-12-01

We study a time dependent partial differential equation (PDE) which arises from classic models in ecology involving logistic growth with Allee effect by introducing a discrete weak solution. Existence, uniqueness and stability of the discrete weak solutions are discussed. We use bivariate splines to approximate the discrete weak solution of the nonlinear PDE. A computational algorithm is designed to solve this PDE. A convergence analysis of the algorithm is presented. We present some simulations of population development over some irregular domains. Finally, we discuss applications in epidemiology and other ecological problems. Copyright © 2015 Elsevier Inc. All rights reserved.

Chord-length and free-path distribution functions for many-body systems

NASA Astrophysics Data System (ADS)

Lu, Binglin; Torquato, S.

1993-04-01

We study fundamental morphological descriptors of disordered media (e.g., heterogeneous materials, liquids, and amorphous solids): the chord-length distribution function p(z) and the free-path distribution function p(z,a). For concreteness, we will speak in the language of heterogeneous materials composed of two different materials or ``phases.'' The probability density function p(z) describes the distribution of chord lengths in the sample and is of great interest in stereology. For example, the first moment of p(z) is the ``mean intercept length'' or ``mean chord length.'' The chord-length distribution function is of importance in transport phenomena and problems involving ``discrete free paths'' of point particles (e.g., Knudsen diffusion and radiative transport). The free-path distribution function p(z,a) takes into account the finite size of a simple particle of radius a undergoing discrete free-path motion in the heterogeneous material and we show that it is actually the chord-length distribution function for the system in which the ``pore space'' is the space available to a finite-sized particle of radius a. Thus it is shown that p(z)=p(z,0). We demonstrate that the functions p(z) and p(z,a) are related to another fundamentally important morphological descriptor of disordered media, namely, the so-called lineal-path function L(z) studied by us in previous work [Phys. Rev. A 45, 922 (1992)]. The lineal path function gives the probability of finding a line segment of length z wholly in one of the ``phases'' when randomly thrown into the sample. We derive exact series representations of the chord-length and free-path distribution functions for systems of spheres with a polydispersivity in size in arbitrary dimension D. For the special case of spatially uncorrelated spheres (i.e., fully penetrable spheres) we evaluate exactly the aforementioned functions, the mean chord length, and the mean free path. We also obtain corresponding analytical formulas for the case of mutually impenetrable (i.e., spatially correlated) polydispersed spheres.

Adjoint-Based Methodology for Time-Dependent Optimization

NASA Technical Reports Server (NTRS)

Yamaleev, N. K.; Diskin, B.; Nielsen, E. J.

2008-01-01

This paper presents a discrete adjoint method for a broad class of time-dependent optimization problems. The time-dependent adjoint equations are derived in terms of the discrete residual of an arbitrary finite volume scheme which approximates unsteady conservation law equations. Although only the 2-D unsteady Euler equations are considered in the present analysis, this time-dependent adjoint method is applicable to the 3-D unsteady Reynolds-averaged Navier-Stokes equations with minor modifications. The discrete adjoint operators involving the derivatives of the discrete residual and the cost functional with respect to the flow variables are computed using a complex-variable approach, which provides discrete consistency and drastically reduces the implementation and debugging cycle. The implementation of the time-dependent adjoint method is validated by comparing the sensitivity derivative with that obtained by forward mode differentiation. Our numerical results show that O(10) optimization iterations of the steepest descent method are needed to reduce the objective functional by 3-6 orders of magnitude for test problems considered.

Electrical characterization of organic thin film transistors and alternative device architectures

NASA Astrophysics Data System (ADS)

Newman, Christopher R.

In the last 10--15 years, organic semiconductors have evolved from experimental curiosities into viable alternatives for practical applications involving large-area and low-cost electronics such as display backplanes, electronic paper, radio frequency identification (RFID) tags, and solar cells. Many of the initially-stated goals in this field have been achieved; organic semconductors have demonstrated performance comparable to or greater than amorphous silicon (a-Si), the entrenched technology for most of the applications listed above. At present, the major obstacles remaining to commercialization of devices based on organic semiconductors involve material stability, processing considerations and optimization of the other device components (e.g. metal contacts and dielectric materials). Despite these technical achievements, significant gaps remain in our understanding of the underlying transport physics in these devices. This thesis summarizes experiments performed on organic field-effect transistors (OFETs) in an attempt to address some of these knowledge gaps. The FET, in addition to being a very useful device for practical applications (such as the driving elements in pixel backplanes), is also a very flexible architecture from an experimental standpoint. The presence of a capacitively-coupled gate electrode allows the investigation of transport physics as a function of carrier concentration. For devices in which non-idealities (i.e. carrier traps) largely dictate the observed characteristics, this is a very useful feature. Although practical OFETs are fabricated as conventional single-gate structures on an organic thin film (OTFTs), more exotic structures can often provide insights that standard OTFTs cannot. Specifically, single-crystal OFETs allow the investigation of carrier transport in the absence of grain boundaries, and double-gated OTFTs facilitate the investigation and comparison of properties across two discrete interfaces. One of the remaining challenges in terms of achieving stability inorganic semiconductors involves understanding, and hopefully minimizing, the bias stress effect of operating OTFTs. Largely ignored during the years in which research groups sought to optimize the standard device metrics of field-effect mobility, current on/off ratio, and threshold voltage, operational stability is emerging as a dominant consideration in these materials. Experiments performed with the goal of quantifying and understanding the bias-stress effect in organic semiconductors are described at the end of this thesis.

Transport in simple networks described by an integrable discrete nonlinear Schrödinger equation.

PubMed

Nakamura, K; Sobirov, Z A; Matrasulov, D U; Sawada, S

2011-08-01

We elucidate the case in which the Ablowitz-Ladik (AL)-type discrete nonlinear Schrödinger equation (NLSE) on simple networks (e.g., star graphs and tree graphs) becomes completely integrable just as in the case of a simple one-dimensional (1D) discrete chain. The strength of cubic nonlinearity is different from bond to bond, and networks are assumed to have at least two semi-infinite bonds with one of them working as an incoming bond. The present work is a nontrivial extension of our preceding one [Sobirov et al., Phys. Rev. E 81, 066602 (2010)] on the continuum NLSE to the discrete case. We find (1) the solution on each bond is a part of the universal (bond-independent) AL soliton solution on the 1D discrete chain, but it is multiplied by the inverse of the square root of bond-dependent nonlinearity; (2) nonlinearities at individual bonds around each vertex must satisfy a sum rule; and (3) under findings 1 and 2, there exist an infinite number of constants of motion. As a practical issue, with the use of an AL soliton injected through the incoming bond, we obtain transmission probabilities inversely proportional to the strength of nonlinearity on the outgoing bonds.

Lagrangian approach to the Barrett-Crane spin foam model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonzom, Valentin; Laboratoire de Physique, ENS Lyon, CNRS UMR 5672, 46 Allee d'Italie, 69007 Lyon; Livine, Etera R.

2009-03-15

We provide the Barrett-Crane spin foam model for quantum gravity with a discrete action principle, consisting in the usual BF term with discretized simplicity constraints which in the continuum turn topological BF theory into gravity. The setting is the same as usually considered in the literature: space-time is cut into 4-simplices, the connection describes how to glue these 4-simplices together and the action is a sum of terms depending on the holonomies around each triangle. We impose the discretized simplicity constraints on disjoint tetrahedra and we show how the Lagrange multipliers distort the parallel transport and the correlations between neighboringmore » simplices. We then construct the discretized BF action using a noncommutative * product between SU(2) plane waves. We show how this naturally leads to the Barrett-Crane model. This clears up the geometrical meaning of the model. We discuss the natural generalization of this action principle and the spin foam models it leads to. We show how the recently introduced spin foam fusion coefficients emerge with a nontrivial measure. In particular, we recover the Engle-Pereira-Rovelli spin foam model by weakening the discretized simplicity constraints. Finally, we identify the two sectors of Plebanski's theory and we give the analog of the Barrett-Crane model in the nongeometric sector.« less

A discrete optimization approach for locating automatic vehicle identification readers for the provision of roadway travel times

DOT National Transportation Integrated Search

2002-11-01

This paper develops an algorithm for optimally locating surveillance technologies with an emphasis on Automatic Vehicle Identification tag readers by maximizing the benefit that would accrue from measuring travel times on a transportation network. Th...

Discrete-Time Quantum Walk with Phase Disorder: Localization and Entanglement Entropy.

PubMed

Zeng, Meng; Yong, Ee Hou

2017-09-20

Quantum Walk (QW) has very different transport properties to its classical counterpart due to interference effects. Here we study the discrete-time quantum walk (DTQW) with on-site static/dynamic phase disorder following either binary or uniform distribution in both one and two dimensions. For one dimension, we consider the Hadamard coin; for two dimensions, we consider either a 2-level Hadamard coin (Hadamard walk) or a 4-level Grover coin (Grover walk) for the rotation in coin-space. We study the transport properties e.g. inverse participation ratio (IPR) and the standard deviation of the density function (σ) as well as the coin-position entanglement entropy (EE), due to the two types of phase disorders and the two types of coins. Our numerical simulations show that the dimensionality, the type of coins, and whether the disorder is static or dynamic play a pivotal role and lead to interesting behaviors of the DTQW. The distribution of the phase disorder has very minor effects on the quantum walk.

Validation of a RANS transition model using a high-order weighted compact nonlinear scheme

NASA Astrophysics Data System (ADS)

Tu, GuoHua; Deng, XiaoGang; Mao, MeiLiang

2013-04-01

A modified transition model is given based on the shear stress transport (SST) turbulence model and an intermittency transport equation. The energy gradient term in the original model is replaced by flow strain rate to saving computational costs. The model employs local variables only, and then it can be conveniently implemented in modern computational fluid dynamics codes. The fifth-order weighted compact nonlinear scheme and the fourth-order staggered scheme are applied to discrete the governing equations for the purpose of minimizing discretization errors, so as to mitigate the confusion between numerical errors and transition model errors. The high-order package is compared with a second-order TVD method on simulating the transitional flow of a flat plate. Numerical results indicate that the high-order package give better grid convergence property than that of the second-order method. Validation of the transition model is performed for transitional flows ranging from low speed to hypersonic speed.

Solar Proton Transport Within an ICRU Sphere Surrounded by a Complex Shield: Ray-trace Geometry

NASA Technical Reports Server (NTRS)

Slaba, Tony C.; Wilson, John W.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2015-01-01

A computationally efficient 3DHZETRN code with enhanced neutron and light ion (Z is less than or equal to 2) propagation was recently developed for complex, inhomogeneous shield geometry described by combinatorial objects. Comparisons were made between 3DHZETRN results and Monte Carlo (MC) simulations at locations within the combinatorial geometry, and it was shown that 3DHZETRN agrees with the MC codes to the extent they agree with each other. In the present report, the 3DHZETRN code is extended to enable analysis in ray-trace geometry. This latest extension enables the code to be used within current engineering design practices utilizing fully detailed vehicle and habitat geometries. Through convergence testing, it is shown that fidelity in an actual shield geometry can be maintained in the discrete ray-trace description by systematically increasing the number of discrete rays used. It is also shown that this fidelity is carried into transport procedures and resulting exposure quantities without sacrificing computational efficiency.

Application of Exactly Linearized Error Transport Equations to AIAA CFD Prediction Workshops

NASA Technical Reports Server (NTRS)

Derlaga, Joseph M.; Park, Michael A.; Rallabhandi, Sriram

2017-01-01

The computational fluid dynamics (CFD) prediction workshops sponsored by the AIAA have created invaluable opportunities in which to discuss the predictive capabilities of CFD in areas in which it has struggled, e.g., cruise drag, high-lift, and sonic boom pre diction. While there are many factors that contribute to disagreement between simulated and experimental results, such as modeling or discretization error, quantifying the errors contained in a simulation is important for those who make decisions based on the computational results. The linearized error transport equations (ETE) combined with a truncation error estimate is a method to quantify one source of errors. The ETE are implemented with a complex-step method to provide an exact linearization with minimal source code modifications to CFD and multidisciplinary analysis methods. The equivalency of adjoint and linearized ETE functional error correction is demonstrated. Uniformly refined grids from a series of AIAA prediction workshops demonstrate the utility of ETE for multidisciplinary analysis with a connection between estimated discretization error and (resolved or under-resolved) flow features.

Predictions of first passage times in sparse discrete fracture networks using graph-based reductions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyman, Jeffrey De'Haven; Hagberg, Aric Arild; Mohd-Yusof, Jamaludin

Here, we present a graph-based methodology to reduce the computational cost of obtaining first passage times through sparse fracture networks. We also derive graph representations of generic three-dimensional discrete fracture networks (DFNs) using the DFN topology and flow boundary conditions. Subgraphs corresponding to the union of the k shortest paths between the inflow and outflow boundaries are identified and transport on their equivalent subnetworks is compared to transport through the full network. The number of paths included in the subgraphs is based on the scaling behavior of the number of edges in the graph with the number of shortest paths.more » First passage times through the subnetworks are in good agreement with those obtained in the full network, both for individual realizations and in distribution. We obtain accurate estimates of first passage times with an order of magnitude reduction of CPU time and mesh size using the proposed method.« less

Predictions of first passage times in sparse discrete fracture networks using graph-based reductions

DOE PAGES

Hyman, Jeffrey De'Haven; Hagberg, Aric Arild; Mohd-Yusof, Jamaludin; ...

2017-07-10

Here, we present a graph-based methodology to reduce the computational cost of obtaining first passage times through sparse fracture networks. We also derive graph representations of generic three-dimensional discrete fracture networks (DFNs) using the DFN topology and flow boundary conditions. Subgraphs corresponding to the union of the k shortest paths between the inflow and outflow boundaries are identified and transport on their equivalent subnetworks is compared to transport through the full network. The number of paths included in the subgraphs is based on the scaling behavior of the number of edges in the graph with the number of shortest paths.more » First passage times through the subnetworks are in good agreement with those obtained in the full network, both for individual realizations and in distribution. We obtain accurate estimates of first passage times with an order of magnitude reduction of CPU time and mesh size using the proposed method.« less

Anomalous transport in discrete arcs and simulation of double layers in a model auroral circuit

NASA Technical Reports Server (NTRS)

Smith, Robert A.

1987-01-01

The evolution and long-time stability of a double layer (DL) in a discrete auroral arc requires that the parallel current in the arc, which may be considered uniform at the source, be diverted within the arc to charge the flanks of the U-shaped double layer potential structure. A simple model is presented in which this current redistribution is effected by anomalous transport based on electrostatic lower hybrid waves driven by the flank structure itself. This process provides the limiting constraint on the double layer potential. The flank charging may be represented as that of a nonlinear transmission line. A simplified model circuit, in which the transmission line is represented by a nonlinear impedance in parallel with a variable resistor, is incorporated in a one-dimensional simulation model to give the current density at the DL boundaries. Results are presented for the scaling of the DL potential as a function of the width of the arc and the saturation efficiency of the lower hybrid instability mechanism.

Anomalous transport in discrete arcs and simulation of double layers in a model auroral circuit

NASA Technical Reports Server (NTRS)

Smith, Robert A.

1987-01-01

The evolution and long-time stability of a double layer in a discrete auroral arc requires that the parallel current in the arc, which may be considered uniform at the source, be diverted within the arc to charge the flanks of the U-shaped double-layer potential structure. A simple model is presented in which this current re-distribution is effected by anomalous transport based on electrostatic lower hybrid waves driven by the flank structure itself. This process provides the limiting constraint on the double-layer potential. The flank charging may be represented as that of a nonlinear transmission. A simplified model circuit, in which the transmission line is represented by a nonlinear impedance in parallel with a variable resistor, is incorporated in a 1-d simulation model to give the current density at the DL boundaries. Results are presented for the scaling of the DL potential as a function of the width of the arc and the saturation efficiency of the lower hybrid instability mechanism.

Morphology and mixing state of aged soot particles at a remote marine free troposphere site: Implications for optical properties

DOE PAGES

China, Swarup; Scarnato, Barbara; Owen, Robert C.; ...

2015-01-14

The radiative properties of soot particles depend on their morphology and mixing state, but their evolution during transport is still elusive. In this paper, we report observations from an electron microscopy analysis of individual particles transported in the free troposphere over long distances to the remote Pico Mountain Observatory in the Azores in the North Atlantic. Approximately 70% of the soot particles were highly compact and of those 26% were thinly coated. Discrete dipole approximation simulations indicate that this compaction results in an increase in soot single scattering albedo by a factor of ≤2.17. The top of the atmosphere directmore » radiative forcing is typically smaller for highly compact than mass-equivalent lacy soot. Lastly, the forcing estimated using Mie theory is within 12% of the forcing estimated using the discrete dipole approximation for a high surface albedo, implying that Mie calculations may provide a reasonable approximation for compact soot above remote marine clouds.« less

Programmed coherent coupling in a synthetic DNA-based excitonic circuit

NASA Astrophysics Data System (ADS)

Boulais, Étienne; Sawaya, Nicolas P. D.; Veneziano, Rémi; Andreoni, Alessio; Banal, James L.; Kondo, Toru; Mandal, Sarthak; Lin, Su; Schlau-Cohen, Gabriela S.; Woodbury, Neal W.; Yan, Hao; Aspuru-Guzik, Alán; Bathe, Mark

2018-02-01

Natural light-harvesting systems spatially organize densely packed chromophore aggregates using rigid protein scaffolds to achieve highly efficient, directed energy transfer. Here, we report a synthetic strategy using rigid DNA scaffolds to similarly program the spatial organization of densely packed, discrete clusters of cyanine dye aggregates with tunable absorption spectra and strongly coupled exciton dynamics present in natural light-harvesting systems. We first characterize the range of dye-aggregate sizes that can be templated spatially by A-tracts of B-form DNA while retaining coherent energy transfer. We then use structure-based modelling and quantum dynamics to guide the rational design of higher-order synthetic circuits consisting of multiple discrete dye aggregates within a DX-tile. These programmed circuits exhibit excitonic transport properties with prominent circular dichroism, superradiance, and fast delocalized exciton transfer, consistent with our quantum dynamics predictions. This bottom-up strategy offers a versatile approach to the rational design of strongly coupled excitonic circuits using spatially organized dye aggregates for use in coherent nanoscale energy transport, artificial light-harvesting, and nanophotonics.

Transport properties of interacting magnetic islands in tokamak plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gianakon, T.A.; Callen, J.D.; Hegna, C.C.

1993-10-01

This paper explores the equilibrium and transient transport properties of a mixed magnetic topology model for tokamak equilibria. The magnetic topology is composed of a discrete set of mostly non-overlapping magnetic islands centered on the low-order rational surfaces. Transport across the island regions is fast due to parallel transport along the stochastic magnetic field lines about the separatrix of each island. Transport between island regions is assumed to be slow due to a low residual cross-field transport. In equilibrium, such a model leads to: a nonlinear dependence of the heat flux on the pressure gradient; a power balance diffusion coefficientmore » which increases from core to edge; and profile resiliency. Transiently, such a model also exhibits a heat pulse diffusion coefficient larger than the power balance diffusion coefficient.« less

Discrete post-processing of total cloud cover ensemble forecasts

NASA Astrophysics Data System (ADS)

Hemri, Stephan; Haiden, Thomas; Pappenberger, Florian

2017-04-01

This contribution presents an approach to post-process ensemble forecasts for the discrete and bounded weather variable of total cloud cover. Two methods for discrete statistical post-processing of ensemble predictions are tested. The first approach is based on multinomial logistic regression, the second involves a proportional odds logistic regression model. Applying them to total cloud cover raw ensemble forecasts from the European Centre for Medium-Range Weather Forecasts improves forecast skill significantly. Based on station-wise post-processing of raw ensemble total cloud cover forecasts for a global set of 3330 stations over the period from 2007 to early 2014, the more parsimonious proportional odds logistic regression model proved to slightly outperform the multinomial logistic regression model. Reference Hemri, S., Haiden, T., & Pappenberger, F. (2016). Discrete post-processing of total cloud cover ensemble forecasts. Monthly Weather Review 144, 2565-2577.

Difference equation state approximations for nonlinear hereditary control problems

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1982-01-01

Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems.

Anger as "seeing red": evidence for a perceptual association.

PubMed

Fetterman, Adam K; Robinson, Michael D; Meier, Brian P

2012-01-01

Metaphor representation theory contends that people conceptualise their non-perceptual states (e.g., emotion concepts) in perceptual terms. The present research extends this theory to colour manipulations and discrete emotional representations. Two experiments (N = 265) examined whether a red font colour would facilitate anger conceptions, consistent with metaphors referring to anger to "seeing red". Evidence for an implicit anger-red association was robust and emotionally discrete in nature. Further, Experiment 2 examined the directionality of such associations and found that they were asymmetrical: Anger categorisations were faster when a red font colour was involved, but redness categorisations were not faster when an anger-related word was involved. Implications for multiple literatures are discussed.

Technology and human purpose: the problem of solids transport on the Earth's surface

NASA Astrophysics Data System (ADS)

Haff, P. K.

2012-11-01

Displacement of mass of limited deformability ("solids") on the Earth's surface is opposed by friction and (the analog of) form resistance - impediments relaxed by rotational motion, self-powering of mass units, and transport infrastructure. These features of solids transport first evolved in the biosphere prior to the emergence of technology, allowing slope-independent, diffusion-like motion of discrete objects as massive as several tons, as illustrated by animal foraging and movement along game trails. However, high-energy-consumption technology powered by fossil fuels required a mechanism that could support fast advective transport of solids, i.e., long-distance, high-volume, high-speed, unidirectional, slope-independent transport across the land surface of materials like coal, containerized fluids, minerals, and economic goods. Pre-technology nature was able to sustain regional- and global-scale advection only in the limited form of piggybacking on geophysical flows of water (river sediment) and air (dust). The appearance of a mechanism for sustained advection of solids independent of fluid flows and gravity appeared only upon the emergence of human purpose. Purpose enables solids advection by, in effect, simulating a continuous potential gradient, otherwise lacking, between discrete and widely separated fossil-fuel energy sources and sinks. Invoking purpose as a mechanism in solids advection is an example of the need to import anthropic principles and concepts into the language and methodology of modern Earth system dynamics. As part of the emergence of a generalized solids advection mechanism, several additional transport requirements necessary to the function of modern large-scale technological systems were also satisfied. These include spatially accurate delivery of advected payload, targetability to essentially arbitrarily located destinations (such as cities), and independence of structure of advected payload from transport mechanism. The latter property enables the transport of an onboard power supply and delivery of persistent-memory, high-information-content payload, such as technological artifacts ("parts").

Technology and human purpose: the problem of solids transport on the earth's surface

NASA Astrophysics Data System (ADS)

Haff, P. K.

2012-05-01

Displacement of mass of limited deformability ("solids") on the Earth's surface is opposed by friction and (the analog of) form resistance - impediments relaxed by rotational motion, self-powering of mass units, and transport infrastructure. These features of solids transport first evolved in the biosphere prior to the emergence of technology, allowing slope-independent, diffusion-like motion of discrete objects as massive as several tons, as illustrated by animal foraging and movement along game trails. However, high-energy-consumption technology powered by fossil fuels required a mechanism that could support advective transport of solids, i.e., long-distance, high-volume, high-speed, unidirectional, slope independent transport across the land surface of materials like coal, containerized fluids, and minerals. Pre-technology nature was able to sustain large-scale, long-distance solids advection only in the limited form of piggybacking on geophysical flows of water (river sediment) and air (dust). The appearance of a generalized mechanism for advection of solids independent of fluid flows and gravity appeared only upon the emergence of human purpose. Purpose enables solids advection by, in effect, enabling a simulated continuous potential gradient, otherwise lacking, between discrete and widely separated fossil-fuel energy sources and sinks. Invoking purpose as a mechanism in solids advection is an example of the need to import anthropic principles and concepts into the language and methodology of modern Earth system dynamics. As part of the emergence of a generalized solids advection mechanism, several additional transport requirements necessary to the function of modern large-scale technological systems were also satisfied. These include spatially accurate delivery of advected payload, targetability to essentially arbitrarily located destinations (such as cities), and independence of structure of advected payload from transport mechanism. The latter property enables the transport of an onboard power supply and delivery of persistent-memory, high-information-content payload, such as technological artifacts ("parts").

An Algorithm for the Mixed Transportation Network Design Problem

PubMed Central

Liu, Xinyu; Chen, Qun

2016-01-01

This paper proposes an optimization algorithm, the dimension-down iterative algorithm (DDIA), for solving a mixed transportation network design problem (MNDP), which is generally expressed as a mathematical programming with equilibrium constraint (MPEC). The upper level of the MNDP aims to optimize the network performance via both the expansion of the existing links and the addition of new candidate links, whereas the lower level is a traditional Wardrop user equilibrium (UE) problem. The idea of the proposed solution algorithm (DDIA) is to reduce the dimensions of the problem. A group of variables (discrete/continuous) is fixed to optimize another group of variables (continuous/discrete) alternately; then, the problem is transformed into solving a series of CNDPs (continuous network design problems) and DNDPs (discrete network design problems) repeatedly until the problem converges to the optimal solution. The advantage of the proposed algorithm is that its solution process is very simple and easy to apply. Numerical examples show that for the MNDP without budget constraint, the optimal solution can be found within a few iterations with DDIA. For the MNDP with budget constraint, however, the result depends on the selection of initial values, which leads to different optimal solutions (i.e., different local optimal solutions). Some thoughts are given on how to derive meaningful initial values, such as by considering the budgets of new and reconstruction projects separately. PMID:27626803

Efficient and robust compositional two-phase reservoir simulation in fractured media

NASA Astrophysics Data System (ADS)

Zidane, A.; Firoozabadi, A.

2015-12-01

Compositional and compressible two-phase flow in fractured media has wide applications including CO2 injection. Accurate simulations are currently based on the discrete fracture approach using the cross-flow equilibrium model. In this approach the fractures and a small part of the matrix blocks are combined to form a grid cell. The major drawback is low computational efficiency. In this work we use the discrete-fracture approach to model the fractures where the fracture entities are described explicitly in the computational domain. We use the concept of cross-flow equilibrium in the fractures (FCFE). This allows using large matrix elements in the neighborhood of the fractures. We solve the fracture transport equations implicitly to overcome the Courant-Freidricks-Levy (CFL) condition in the small fracture elements. Our implicit approach is based on calculation of the derivative of the molar concentration of component i in phase (cαi ) with respect to the total molar concentration (ci ) at constant volume V and temperature T. This contributes to significant speed up of the code. The hybrid mixed finite element method (MFE) is used to solve for the velocity in both the matrix and the fractures coupled with the discontinuous Galerkin (DG) method to solve the species transport equations in the matrix, and a finite volume (FV) discretization in the fractures. In large scale problems the proposed approach is orders of magnitude faster than the existing models.

Evaluating the effect of internal aperture variability on transport in kilometer scale discrete fracture networks

DOE PAGES

Makedonska, Nataliia; Hyman, Jeffrey D.; Karra, Satish; ...

2016-08-01

The apertures of natural fractures in fractured rock are highly heterogeneous. However, in-fracture aperture variability is often neglected in flow and transport modeling and individual fractures are assumed to have uniform aperture distribution. The relative importance of in-fracture variability in flow and transport modeling within kilometer-scale fracture networks has been under debate for a long time, since the flow in each single fracture is controlled not only by in-fracture variability but also by boundary conditions. Computational limitations have previously prohibited researchers from investigating the relative importance of in-fracture variability in flow and transport modeling within large-scale fracture networks. We addressmore » this question by incorporating internal heterogeneity of individual fractures into flow simulations within kilometer scale three-dimensional fracture networks, where fracture intensity, P 32 (ratio between total fracture area and domain volume) is between 0.027 and 0.031 [1/m]. The recently developed discrete fracture network (DFN) simulation capability, dfnWorks, is used to generate kilometer scale DFNs that include in-fracture aperture variability represented by a stationary log-normal stochastic field with various correlation lengths and variances. The Lagrangian transport parameters, non-reacting travel time, , and cumulative retention, , are calculated along particles streamlines. As a result, it is observed that due to local flow channeling early particle travel times are more sensitive to in-fracture aperture variability than the tails of travel time distributions, where no significant effect of the in-fracture aperture variations and spatial correlation length is observed.« less

Evaluating the effect of internal aperture variability on transport in kilometer scale discrete fracture networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makedonska, Nataliia; Hyman, Jeffrey D.; Karra, Satish

The apertures of natural fractures in fractured rock are highly heterogeneous. However, in-fracture aperture variability is often neglected in flow and transport modeling and individual fractures are assumed to have uniform aperture distribution. The relative importance of in-fracture variability in flow and transport modeling within kilometer-scale fracture networks has been under debate for a long time, since the flow in each single fracture is controlled not only by in-fracture variability but also by boundary conditions. Computational limitations have previously prohibited researchers from investigating the relative importance of in-fracture variability in flow and transport modeling within large-scale fracture networks. We addressmore » this question by incorporating internal heterogeneity of individual fractures into flow simulations within kilometer scale three-dimensional fracture networks, where fracture intensity, P 32 (ratio between total fracture area and domain volume) is between 0.027 and 0.031 [1/m]. The recently developed discrete fracture network (DFN) simulation capability, dfnWorks, is used to generate kilometer scale DFNs that include in-fracture aperture variability represented by a stationary log-normal stochastic field with various correlation lengths and variances. The Lagrangian transport parameters, non-reacting travel time, , and cumulative retention, , are calculated along particles streamlines. As a result, it is observed that due to local flow channeling early particle travel times are more sensitive to in-fracture aperture variability than the tails of travel time distributions, where no significant effect of the in-fracture aperture variations and spatial correlation length is observed.« less

PBSM3D: A finite volume, scalar-transport blowing snow model for use with variable resolution meshes

NASA Astrophysics Data System (ADS)

Marsh, C.; Wayand, N. E.; Pomeroy, J. W.; Wheater, H. S.; Spiteri, R. J.

2017-12-01

Blowing snow redistribution results in heterogeneous snowcovers that are ubiquitous in cold, windswept environments. Capturing this spatial and temporal variability is important for melt and runoff simulations. Point scale blowing snow transport models are difficult to apply in fully distributed hydrological models due to landscape heterogeneity and complex wind fields. Many existing distributed snow transport models have empirical wind flow and/or simplified wind direction algorithms that perform poorly in calculating snow redistribution where there are divergent wind flows, sharp topography, and over large spatial extents. Herein, a steady-state scalar transport model is discretized using the finite volume method (FVM), using parameterizations from the Prairie Blowing Snow Model (PBSM). PBSM has been applied in hydrological response units and grids to prairie, arctic, glacier, and alpine terrain and shows a good capability to represent snow redistribution over complex terrain. The FVM discretization takes advantage of the variable resolution mesh in the Canadian Hydrological Model (CHM) to ensure efficient calculations over small and large spatial extents. Variable resolution unstructured meshes preserve surface heterogeneity but result in fewer computational elements versus high-resolution structured (raster) grids. Snowpack, soil moisture, and streamflow observations were used to evaluate CHM-modelled outputs in a sub-arctic and an alpine basin. Newly developed remotely sensed snowcover indices allowed for validation over large basins. CHM simulations of snow hydrology were improved by inclusion of the blowing snow model. The results demonstrate the key role of snow transport processes in creating pre-melt snowcover heterogeneity and therefore governing post-melt soil moisture and runoff generation dynamics.

Teaching Spontaneous Responses to Young Children with Autism

ERIC Educational Resources Information Center

Jones, Emily A.; Feeley, Kathleen M.; Takacs, Jennifer

2007-01-01

Using a multiple probe design across responses, we demonstrated the effectiveness of intensive intervention in establishing spontaneous verbal responses to 2 3-year-old children with autism with generalization to novel settings involving novel persons. Intervention involved discrete-trial instruction (i.e., repeated instructional opportunities…

10 CFR 600.5 - Selection of award instrument.

Code of Federal Regulations, 2014 CFR

2014-01-01

... of award instrument. (a) If DOE has administrative discretion in the selection of the award... financial assistance instrument, DOE shall limit involvement between itself and the recipient in the... anticipated that substantial involvement will be necessary between DOE and the recipient during performance of...

10 CFR 600.5 - Selection of award instrument.

Code of Federal Regulations, 2011 CFR

2011-01-01

... of award instrument. (a) If DOE has administrative discretion in the selection of the award... financial assistance instrument, DOE shall limit involvement between itself and the recipient in the... anticipated that substantial involvement will be necessary between DOE and the recipient during performance of...

Examining narrative transportation to anti-alcohol narratives

PubMed Central

Banerjee, Smita C.; Greene, Kathryn

2016-01-01

This study examined the transportation effects of alcohol consequence narratives varying in source (written by the narrative protagonist vs. protagonist's partner) and type of heath consequence (physical or emotional). Additionally, this study examined the role of narrative transportation and cognitive and discrete affective responses in the persuasion process. In this study, 501 students of a large northern university in the United Kingdom participated and were randomly assigned to one of the four conditions of narratives about alcohol use. Transportation was operationalized as general and self-reflective transportation. Results demonstrated that for narratives written by protagonist, the emotional effect narrative resulted in greater general transportation than the physical effect narrative. However, for narratives written by the protagonist's partner, the physical effect narrative resulted in greater general transportation than the emotional effect narrative. These findings were not substantiated for self-reflective transportation. Finally, results suggest that transportation experienced by anti-alcohol narratives can influence both favourable cognitive response and guilt, which are significant mediators in alcohol-related expectancies. Important theoretical and empirical implications are discussed. PMID:28133436

Carrier injection engineering in nanowire transistors via dopant and shape monitoring of the access regions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berrada, Salim, E-mail: s.berrada@insa.ueuromed.org; Bescond, Marc, E-mail: marc.bescond@im2np.fr; Cavassilas, Nicolas

2015-10-12

This work theoretically studies the influence of both the geometry and the discrete nature of dopants of the access regions in ultra-scaled nanowire transistors. By means of self-consistent quantum transport simulations, we show that discrete dopants induce quasi-localized states which govern carrier injection into the channel. Carrier injection can be enhanced by taking advantage of the dielectric confinement occurring in these access regions. We demonstrate that the optimization of access resistance can be obtained by a careful control of shape and dopant position. These results pave the way for contact resistance engineering in forthcoming device generations.

Coherent virtual absorption for discretized light

NASA Astrophysics Data System (ADS)

Longhi, S.

2018-05-01

Coherent virtual absorption (CVA) is a recently-introduced phenomenon for which exponentially growing waves incident onto a conservative optical medium are neither reflected nor transmitted, at least transiently. CVA has been associated to complex zeros of the scattering matrix and can be regarded as the time reversal of the decay process of a quasi-mode sustained by the optical medium. Here we consider CVA for discretized light transport in coupled resonator optical waveguides or waveguide arrays and show that a distinct kind of CVA, which is not related to complex zero excitation of quasi-modes, can be observed. This result suggests that scattering matrix analysis can not fully capture CVA phenomena.

Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem

PubMed Central

2012-01-01

The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al. PMID:22338640

Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem.

PubMed

Berti, Claudio; Gillespie, Dirk; Eisenberg, Robert S; Fiegna, Claudio

2012-02-16

The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al.

14 CFR 25.341 - Gust and turbulence loads.

Code of Federal Regulations, 2011 CFR

2011-01-01

... AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.341 Gust and turbulence loads. (a) Discrete Gust Design Criteria. The airplane is assumed to be subjected... accordance with the provisions: (1) Loads on each part of the structure must be determined by dynamic...

14 CFR 25.341 - Gust and turbulence loads.

Code of Federal Regulations, 2013 CFR

2013-01-01

... AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.341 Gust and turbulence loads. (a) Discrete Gust Design Criteria. The airplane is assumed to be subjected... accordance with the provisions: (1) Loads on each part of the structure must be determined by dynamic...

14 CFR 25.341 - Gust and turbulence loads.

Code of Federal Regulations, 2012 CFR

2012-01-01

... AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.341 Gust and turbulence loads. (a) Discrete Gust Design Criteria. The airplane is assumed to be subjected... accordance with the provisions: (1) Loads on each part of the structure must be determined by dynamic...

14 CFR 25.341 - Gust and turbulence loads.

Code of Federal Regulations, 2014 CFR

2014-01-01

... AIRWORTHINESS STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.341 Gust and turbulence loads. (a) Discrete Gust Design Criteria. The airplane is assumed to be subjected... accordance with the provisions: (1) Loads on each part of the structure must be determined by dynamic...

Reactive flow in fractured porous media

NASA Astrophysics Data System (ADS)

Jasinski, L.; Thovert, J.; Mourzenko, V.; Adler, P. M.

2011-12-01

Reactive flow through geological formations occurs in many situations due to human intervention or during natural processes. For instance, chemical dissolution and precipitation play a major role in diagenesis or in the formation of karsts. The quantitative description of the injection of a reacting fluid from a well into a fractured porous medium is also a subject of high interest. It can be provoked, as in the acidization stimulation technique for increasing well productivity, or accidental, in CO2 sequestration. Ideally, one wishes to analyze the improvements or damages caused by the fluid to the well itself and to its immediate surroundings. To this end, a coupled system of equations has to be solved. It includes the description of the flow in the porous matrix and in the fracture network by Darcy-like equations, and the description of the reactive solute transport and of the reactions which occur in the two structures. In addition, constitutive equations are required for the evolution of these two structures, such as evolution laws for permeability and reactivity as functions of porosity. Our discrete fracture numerical model involves three major steps. First, an unstructured tetrahedral mesh of the fractures and of the porous matrix is built. Second, the Darcy equations are discretized and solved, in a finite volume formulation. Third, the evolution of the solute concentration has to be calculated. This is the most difficult point if one wants to avoid numerical diffusion and accurately describe the transfers between the fractures and the matrix. A non linear flux limiting scheme of the Superbee type coupled with a systematic use of triple control volumes proved to be the most efficient. Various simple model situations have been considered, for validation purposes or to illustrate some physical points. In particular, it is shown that even when the matrix permeability is small and the flow is predominantly carried by the fracture network, convective exchanges still exist between the fractures and the matrix which can widely exceed diffusive ones and strongly affect the solute transport and its residence time distribution. Finally, simulations of passive and reactive solute transport have been performed in large samples containing percolating or non percolating fracture networks. Various parameters have been systematically investigated, including the transmissivity of the fractures, the flow regime characterized by Péclet numbers in the fractures and in the matrix, and the Damköhler numbers of the reaction process in the matrix and fractures. The passive transport behavior and the effect of the gradual clogging of the fractures and/or matrix pore space in the case of a precipitation process are analyzed.

Discrete Space-Time: History and Recent Developments

NASA Astrophysics Data System (ADS)

Crouse, David

2017-01-01

Discussed in this work is the long history and debate of whether space and time are discrete or continuous. Starting from Zeno of Elea and progressing to Heisenberg and others, the issues with discrete space are discussed, including: Lorentz contraction (time dilation) of the ostensibly smallest spatial (temporal) interval, maintaining isotropy, violations of causality, and conservation of energy and momentum. It is shown that there are solutions to all these issues, such that discrete space is a viable model, yet the solution require strict non-absolute space (i.e., Mach's principle) and a re-analysis of the concept of measurement and the foundations of special relativity. In developing these solutions, the long forgotten but important debate between Albert Einstein and Henri Bergson concerning time will be discussed. Also discussed is the resolution to the Weyl tile argument against discrete space; however, the solution involves a modified version of the typical distance formula. One example effect of discrete space is then discussed, namely how it necessarily imposes order upon Wheeler's quantum foam, changing the foam into a gravity crystal and yielding crystalline properties of bandgaps, Brilluoin zones and negative inertial mass for astronomical bodies.

Improved result on stability analysis of discrete stochastic neural networks with time delay

NASA Astrophysics Data System (ADS)

Wu, Zhengguang; Su, Hongye; Chu, Jian; Zhou, Wuneng

2009-04-01

This Letter investigates the problem of exponential stability for discrete stochastic time-delay neural networks. By defining a novel Lyapunov functional, an improved delay-dependent exponential stability criterion is established in terms of linear matrix inequality (LMI) approach. Meanwhile, the computational complexity of the newly established stability condition is reduced because less variables are involved. Numerical example is given to illustrate the effectiveness and the benefits of the proposed method.

Spherical harmonics and rigged Hilbert spaces

NASA Astrophysics Data System (ADS)

Celeghini, E.; Gadella, M.; del Olmo, M. A.

2018-05-01

This paper is devoted to study discrete and continuous bases for spaces supporting representations of SO(3) and SO(3, 2) where the spherical harmonics are involved. We show how discrete and continuous bases coexist on appropriate choices of rigged Hilbert spaces. We prove the continuity of relevant operators and the operators in the algebras spanned by them using appropriate topologies on our spaces. Finally, we discuss the properties of the functionals that form the continuous basis.

Modeling and simulation of count data.

PubMed

Plan, E L

2014-08-13

Count data, or number of events per time interval, are discrete data arising from repeated time to event observations. Their mean count, or piecewise constant event rate, can be evaluated by discrete probability distributions from the Poisson model family. Clinical trial data characterization often involves population count analysis. This tutorial presents the basics and diagnostics of count modeling and simulation in the context of pharmacometrics. Consideration is given to overdispersion, underdispersion, autocorrelation, and inhomogeneity.

Surface targeting of the dopamine transporter involves discrete epitopes in the distal C terminus but does not require canonical PDZ domain interactions.

PubMed

Bjerggaard, Christian; Fog, Jacob U; Hastrup, Hanne; Madsen, Kenneth; Loland, Claus J; Javitch, Jonathan A; Gether, Ulrik

2004-08-04

The human dopamine transporter (hDAT) contains a C-terminal type 2 PDZ (postsynaptic density 95/Discs large/zona occludens 1) domain-binding motif (LKV) known to interact with PDZ domain proteins such as PICK1 (protein interacting with C-kinase 1). As reported previously, we found that, after deletion of this motif, hDAT was retained in the endoplasmic reticulum (ER) of human embryonic kidney (HEK) 293 and Neuro2A cells, suggesting that PDZ domain interactions might be critical for hDAT targeting. Nonetheless, substitution of LKV with SLL, the type 1 PDZ-binding sequence from the beta2-adrenergic receptor, did not disrupt plasma membrane targeting. Moreover, the addition of an alanine to the hDAT C terminus (+Ala), resulting in an LKVA termination sequence, or substitution of LKV with alanines (3xAla_618-620) prevented neither plasma membrane targeting nor targeting into sprouting neurites of differentiated N2A cells. The inability of +Ala and 3xAla_618-620 to bind PDZ domains was confirmed by lack of colocalization with PICK1 in cotransfected HEK293 cells and by the inability of corresponding C-terminal fusion proteins to pull down purified PICK1. Thus, although residues in the hDAT C terminus are indispensable for proper targeting, PDZ domain interactions are not required. By progressive substitutions with beta2-adrenergic receptor sequence, and by triple-alanine substitutions in the hDAT C terminus, we examined the importance of epitopes preceding the LKV motif. Substitution of RHW(615-617) with alanines caused retention of the transporter in the ER despite preserved ability of this mutant to bind PICK1. We propose dual roles of the hDAT C terminus: a role independent of PDZ interactions for ER export and surface targeting, and a not fully clarified role involving PDZ interactions with proteins such as PICK1.

A Green's function method for simulation of time-dependent solute transport and reaction in realistic microvascular geometries.

PubMed

Secomb, Timothy W

2016-12-01

A novel theoretical method is presented for simulating the spatially resolved convective and diffusive transport of reacting solutes between microvascular networks and the surrounding tissues. The method allows for efficient computational solution of problems involving convection and non-linear binding of solutes in blood flowing through microvascular networks with realistic 3D geometries, coupled with transvascular exchange and diffusion and reaction in the surrounding tissue space. The method is based on a Green's function approach, in which the solute concentration distribution in the tissue is expressed as a sum of fields generated by time-varying distributions of discrete sources and sinks. As an example of the application of the method, the washout of an inert diffusible tracer substance from a tissue region perfused by a network of microvessels is simulated, showing its dependence on the solute's transvascular permeability and tissue diffusivity. Exponential decay of the washout concentration is predicted, with rate constants that are about 10-30% lower than the rate constants for a tissue cylinder model with the same vessel length, vessel surface area and blood flow rate per tissue volume. © The authors 2015. Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved.

Multiscale model reduction for shale gas transport in poroelastic fractured media

NASA Astrophysics Data System (ADS)

Akkutlu, I. Yucel; Efendiev, Yalchin; Vasilyeva, Maria; Wang, Yuhe

2018-01-01

Inherently coupled flow and geomechanics processes in fractured shale media have implications for shale gas production. The system involves highly complex geo-textures comprised of a heterogeneous anisotropic fracture network spatially embedded in an ultra-tight matrix. In addition, nonlinearities due to viscous flow, diffusion, and desorption in the matrix and high velocity gas flow in the fractures complicates the transport. In this paper, we develop a multiscale model reduction approach to couple gas flow and geomechanics in fractured shale media. A Discrete Fracture Model (DFM) is used to treat the complex network of fractures on a fine grid. The coupled flow and geomechanics equations are solved using a fixed stress-splitting scheme by solving the pressure equation using a continuous Galerkin method and the displacement equation using an interior penalty discontinuous Galerkin method. We develop a coarse grid approximation and coupling using the Generalized Multiscale Finite Element Method (GMsFEM). GMsFEM constructs the multiscale basis functions in a systematic way to capture the fracture networks and their interactions with the shale matrix. Numerical results and an error analysis is provided showing that the proposed approach accurately captures the coupled process using a few multiscale basis functions, i.e. a small fraction of the degrees of freedom of the fine-scale problem.

Safety Verification of the Small Aircraft Transportation System Concept of Operations

NASA Technical Reports Server (NTRS)

Carreno, Victor; Munoz, Cesar

2005-01-01

A critical factor in the adoption of any new aeronautical technology or concept of operation is safety. Traditionally, safety is accomplished through a rigorous process that involves human factors, low and high fidelity simulations, and flight experiments. As this process is usually performed on final products or functional prototypes, concept modifications resulting from this process are very expensive to implement. This paper describe an approach to system safety that can take place at early stages of a concept design. It is based on a set of mathematical techniques and tools known as formal methods. In contrast to testing and simulation, formal methods provide the capability of exhaustive state exploration analysis. We present the safety analysis and verification performed for the Small Aircraft Transportation System (SATS) Concept of Operations (ConOps). The concept of operations is modeled using discrete and hybrid mathematical models. These models are then analyzed using formal methods. The objective of the analysis is to show, in a mathematical framework, that the concept of operation complies with a set of safety requirements. It is also shown that the ConOps has some desirable characteristic such as liveness and absence of dead-lock. The analysis and verification is performed in the Prototype Verification System (PVS), which is a computer based specification language and a theorem proving assistant.

Hybrid parallel code acceleration methods in full-core reactor physics calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Courau, T.; Plagne, L.; Ponicot, A.

2012-07-01

When dealing with nuclear reactor calculation schemes, the need for three dimensional (3D) transport-based reference solutions is essential for both validation and optimization purposes. Considering a benchmark problem, this work investigates the potential of discrete ordinates (Sn) transport methods applied to 3D pressurized water reactor (PWR) full-core calculations. First, the benchmark problem is described. It involves a pin-by-pin description of a 3D PWR first core, and uses a 8-group cross-section library prepared with the DRAGON cell code. Then, a convergence analysis is performed using the PENTRAN parallel Sn Cartesian code. It discusses the spatial refinement and the associated angular quadraturemore » required to properly describe the problem physics. It also shows that initializing the Sn solution with the EDF SPN solver COCAGNE reduces the number of iterations required to converge by nearly a factor of 6. Using a best estimate model, PENTRAN results are then compared to multigroup Monte Carlo results obtained with the MCNP5 code. Good consistency is observed between the two methods (Sn and Monte Carlo), with discrepancies that are less than 25 pcm for the k{sub eff}, and less than 2.1% and 1.6% for the flux at the pin-cell level and for the pin-power distribution, respectively. (authors)« less

Metabolic modeling of synthesis gas fermentation in bubble column reactors.

PubMed

Chen, Jin; Gomez, Jose A; Höffner, Kai; Barton, Paul I; Henson, Michael A

2015-01-01

A promising route to renewable liquid fuels and chemicals is the fermentation of synthesis gas (syngas) streams to synthesize desired products such as ethanol and 2,3-butanediol. While commercial development of syngas fermentation technology is underway, an unmet need is the development of integrated metabolic and transport models for industrially relevant syngas bubble column reactors. We developed and evaluated a spatiotemporal metabolic model for bubble column reactors with the syngas fermenting bacterium Clostridium ljungdahlii as the microbial catalyst. Our modeling approach involved combining a genome-scale reconstruction of C. ljungdahlii metabolism with multiphase transport equations that govern convective and dispersive processes within the spatially varying column. The reactor model was spatially discretized to yield a large set of ordinary differential equations (ODEs) in time with embedded linear programs (LPs) and solved using the MATLAB based code DFBAlab. Simulations were performed to analyze the effects of important process and cellular parameters on key measures of reactor performance including ethanol titer, ethanol-to-acetate ratio, and CO and H2 conversions. Our computational study demonstrated that mathematical modeling provides a complementary tool to experimentation for understanding, predicting, and optimizing syngas fermentation reactors. These model predictions could guide future cellular and process engineering efforts aimed at alleviating bottlenecks to biochemical production in syngas bubble column reactors.

A space-time discretization procedure for wave propagation problems

NASA Technical Reports Server (NTRS)

Davis, Sanford

1989-01-01

Higher order compact algorithms are developed for the numerical simulation of wave propagation by using the concept of a discrete dispersion relation. The dispersion relation is the imprint of any linear operator in space-time. The discrete dispersion relation is derived from the continuous dispersion relation by examining the process by which locally plane waves propagate through a chosen grid. The exponential structure of the discrete dispersion relation suggests an efficient splitting of convective and diffusive terms for dissipative waves. Fourth- and eighth-order convection schemes are examined that involve only three or five spatial grid points. These algorithms are subject to the same restrictions that govern the use of dispersion relations in the constructions of asymptotic expansions to nonlinear evolution equations. A new eighth-order scheme is developed that is exact for Courant numbers of 1, 2, 3, and 4. Examples are given of a pulse and step wave with a small amount of physical diffusion.

An equilibrium-preserving discretization for the nonlinear Rosenbluth-Fokker-Planck operator in arbitrary multi-dimensional geometry

NASA Astrophysics Data System (ADS)

Taitano, W. T.; Chacón, L.; Simakov, A. N.

2017-06-01

The Fokker-Planck collision operator is an advection-diffusion operator which describe dynamical systems such as weakly coupled plasmas [1,2], photonics in high temperature environment [3,4], biological [5], and even social systems [6]. For plasmas in the continuum, the Fokker-Planck collision operator supports such important physical properties as conservation of number, momentum, and energy, as well as positivity. It also obeys the Boltzmann's H-theorem [7-11], i.e., the operator increases the system entropy while simultaneously driving the distribution function towards a Maxwellian. In the discrete, when these properties are not ensured, numerical simulations can either fail catastrophically or suffer from significant numerical pollution [12,13]. There is strong emphasis in the literature on developing numerical techniques to solve the Fokker-Planck equation while preserving these properties [12-24]. In this short note, we focus on the analytical equilibrium preserving property, meaning that the Fokker-Planck collision operator vanishes when acting on an analytical Maxwellian distribution function. The equilibrium preservation property is especially important, for example, when one is attempting to capture subtle transport physics. Since transport arises from small O (ɛ) corrections to the equilibrium [25] (where ɛ is a small expansion parameter), numerical truncation error present in the equilibrium solution may dominate, overwhelming transport dynamics.

A Random Forest Approach to Predict the Spatial Distribution ...

EPA Pesticide Factsheets

Modeling the magnitude and distribution of sediment-bound pollutants in estuaries is often limited by incomplete knowledge of the site and inadequate sample density. To address these modeling limitations, a decision-support tool framework was conceived that predicts sediment contamination from the sub-estuary to broader estuary extent. For this study, a Random Forest (RF) model was implemented to predict the distribution of a model contaminant, triclosan (5-chloro-2-(2,4-dichlorophenoxy)phenol) (TCS), in Narragansett Bay, Rhode Island, USA. TCS is an unregulated contaminant used in many personal care products. The RF explanatory variables were associated with TCS transport and fate (proxies) and direct and indirect environmental entry. The continuous RF TCS concentration predictions were discretized into three levels of contamination (low, medium, and high) for three different quantile thresholds. The RF model explained 63% of the variance with a minimum number of variables. Total organic carbon (TOC) (transport and fate proxy) was a strong predictor of TCS contamination causing a mean squared error increase of 59% when compared to permutations of randomized values of TOC. Additionally, combined sewer overflow discharge (environmental entry) and sand (transport and fate proxy) were strong predictors. The discretization models identified a TCS area of greatest concern in the northern reach of Narragansett Bay (Providence River sub-estuary), which was validated wi

A SEMI-LAGRANGIAN TWO-LEVEL PRECONDITIONED NEWTON-KRYLOV SOLVER FOR CONSTRAINED DIFFEOMORPHIC IMAGE REGISTRATION.

PubMed

Mang, Andreas; Biros, George

2017-01-01

We propose an efficient numerical algorithm for the solution of diffeomorphic image registration problems. We use a variational formulation constrained by a partial differential equation (PDE), where the constraints are a scalar transport equation. We use a pseudospectral discretization in space and second-order accurate semi-Lagrangian time stepping scheme for the transport equations. We solve for a stationary velocity field using a preconditioned, globalized, matrix-free Newton-Krylov scheme. We propose and test a two-level Hessian preconditioner. We consider two strategies for inverting the preconditioner on the coarse grid: a nested preconditioned conjugate gradient method (exact solve) and a nested Chebyshev iterative method (inexact solve) with a fixed number of iterations. We test the performance of our solver in different synthetic and real-world two-dimensional application scenarios. We study grid convergence and computational efficiency of our new scheme. We compare the performance of our solver against our initial implementation that uses the same spatial discretization but a standard, explicit, second-order Runge-Kutta scheme for the numerical time integration of the transport equations and a single-level preconditioner. Our improved scheme delivers significant speedups over our original implementation. As a highlight, we observe a 20 × speedup for a two dimensional, real world multi-subject medical image registration problem.

Assessment of uncertainty in discrete fracture network modeling using probabilistic distribution method.

PubMed

Wei, Yaqiang; Dong, Yanhui; Yeh, Tian-Chyi J; Li, Xiao; Wang, Liheng; Zha, Yuanyuan

2017-11-01

There have been widespread concerns about solute transport problems in fractured media, e.g. the disposal of high-level radioactive waste in geological fractured rocks. Numerical simulation of particle tracking is gradually being employed to address these issues. Traditional predictions of radioactive waste transport using discrete fracture network (DFN) models often consider one particular realization of the fracture distribution based on fracture statistic features. This significantly underestimates the uncertainty of the risk of radioactive waste deposit evaluation. To adequately assess the uncertainty during the DFN modeling in a potential site for the disposal of high-level radioactive waste, this paper utilized the probabilistic distribution method (PDM). The method was applied to evaluate the risk of nuclear waste deposit in Beishan, China. Moreover, the impact of the number of realizations on the simulation results was analyzed. In particular, the differences between the modeling results of one realization and multiple realizations were demonstrated. Probabilistic distributions of 20 realizations at different times were also obtained. The results showed that the employed PDM can be used to describe the ranges of the contaminant particle transport. The high-possibility contaminated areas near the release point were more concentrated than the farther areas after 5E6 days, which was 25,400 m 2 .

The Predictive Capability of Conditioned Simulation of Discrete Fracture Networks using Structural and Hydraulic Data from the ONKALO Underground Research Facility, Finland

NASA Astrophysics Data System (ADS)

Williams, T. R. N.; Baxter, S.; Hartley, L.; Appleyard, P.; Koskinen, L.; Vanhanarkaus, O.; Selroos, J. O.; Munier, R.

2017-12-01

Discrete fracture network (DFN) models provide a natural analysis framework for rock conditions where flow is predominately through a series of connected discrete features. Mechanistic models to predict the structural patterns of networks are generally intractable due to inherent uncertainties (e.g. deformation history) and as such fracture characterisation typically involves empirical descriptions of fracture statistics for location, intensity, orientation, size, aperture etc. from analyses of field data. These DFN models are used to make probabilistic predictions of likely flow or solute transport conditions for a range of applications in underground resource and construction projects. However, there are many instances when the volumes in which predictions are most valuable are close to data sources. For example, in the disposal of hazardous materials such as radioactive waste, accurate predictions of flow-rates and network connectivity around disposal areas are required for long-term safety evaluation. The problem at hand is thus: how can probabilistic predictions be conditioned on local-scale measurements? This presentation demonstrates conditioning of a DFN model based on the current structural and hydraulic characterisation of the Demonstration Area at the ONKALO underground research facility. The conditioned realisations honour (to a required level of similarity) the locations, orientations and trace lengths of fractures mapped on the surfaces of the nearby ONKALO tunnels and pilot drillholes. Other data used as constraints include measurements from hydraulic injection tests performed in pilot drillholes and inflows to the subsequently reamed experimental deposition holes. Numerical simulations using this suite of conditioned DFN models provides a series of prediction-outcome exercises detailing the reliability of the DFN model to make local-scale predictions of measured geometric and hydraulic properties of the fracture system; and provides an understanding of the reduction in uncertainty in model predictions for conditioned DFN models honouring different aspects of this data.

Los Alamos radiation transport code system on desktop computing platforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Briesmeister, J.F.; Brinkley, F.W.; Clark, B.A.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. These codes were originally developed many years ago and have undergone continual improvement. With a large initial effort and continued vigilance, the codes are easily portable from one type of hardware to another. The performance of scientific work-stations (SWS) has evolved to the point that such platforms can be used routinely to perform sophisticated radiation transport calculations. As the personal computer (PC) performance approaches that of the SWS, the hardware options for desk-top radiation transport calculations expands considerably. Themore » current status of the radiation transport codes within the LARTCS is described: MCNP, SABRINA, LAHET, ONEDANT, TWODANT, TWOHEX, and ONELD. Specifically, the authors discuss hardware systems on which the codes run and present code performance comparisons for various machines.« less

Implementation of radiation shielding calculation methods. Volume 2: Seminar/Workshop notes

NASA Technical Reports Server (NTRS)

Capo, M. A.; Disney, R. K.

1971-01-01

Detailed descriptions are presented of the input data for each of the MSFC computer codes applied to the analysis of a realistic nuclear propelled vehicle. The analytical techniques employed include cross section data, preparation, one and two dimensional discrete ordinates transport, point kernel, and single scatter methods.

Application of a Transient Storage Zone Model o Soil Pipeflow Tracer Injection Experiments

USDA-ARS?s Scientific Manuscript database

Soil pipes, defined here as discrete preferential flow paths generally parallel to the slope, are important subsurface flow pathways that play a role in many soil erosion phenomena. However, limited research has been performed on quantifying and characterizing their flow and transport characteristic...

Soil pipe flow tracer experiments: 2. Application of a transient storage zone model

USDA-ARS?s Scientific Manuscript database

Soil pipes, defined here as discrete preferential flow paths generally parallel to the slope, are important subsurface flow pathways that play a role in many soil erosion phenomena. However, limited research has been performed on quantifying and characterizing their flow and transport characteristic...

Compatible Spatial Discretizations for Partial Differential Equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arnold, Douglas, N, ed.

From May 11--15, 2004, the Institute for Mathematics and its Applications held a hot topics workshop on Compatible Spatial Discretizations for Partial Differential Equations. The numerical solution of partial differential equations (PDE) is a fundamental task in science and engineering. The goal of the workshop was to bring together a spectrum of scientists at the forefront of the research in the numerical solution of PDEs to discuss compatible spatial discretizations. We define compatible spatial discretizations as those that inherit or mimic fundamental properties of the PDE such as topology, conservation, symmetries, and positivity structures and maximum principles. A wide varietymore » of discretization methods applied across a wide range of scientific and engineering applications have been designed to or found to inherit or mimic intrinsic spatial structure and reproduce fundamental properties of the solution of the continuous PDE model at the finite dimensional level. A profusion of such methods and concepts relevant to understanding them have been developed and explored: mixed finite element methods, mimetic finite differences, support operator methods, control volume methods, discrete differential forms, Whitney forms, conservative differencing, discrete Hodge operators, discrete Helmholtz decomposition, finite integration techniques, staggered grid and dual grid methods, etc. This workshop seeks to foster communication among the diverse groups of researchers designing, applying, and studying such methods as well as researchers involved in practical solution of large scale problems that may benefit from advancements in such discretizations; to help elucidate the relations between the different methods and concepts; and to generally advance our understanding in the area of compatible spatial discretization methods for PDE. Particular points of emphasis included: + Identification of intrinsic properties of PDE models that are critical for the fidelity of numerical simulations. + Identification and design of compatible spatial discretizations of PDEs, their classification, analysis, and relations. + Relationships between different compatible spatial discretization methods and concepts which have been developed; + Impact of compatible spatial discretizations upon physical fidelity, verification and validation of simulations, especially in large-scale, multiphysics settings. + How solvers address the demands placed upon them by compatible spatial discretizations. This report provides information about the program and abstracts of all the presentations.« less

Visualization and Hierarchical Analysis of Flow in Discrete Fracture Network Models

NASA Astrophysics Data System (ADS)

Aldrich, G. A.; Gable, C. W.; Painter, S. L.; Makedonska, N.; Hamann, B.; Woodring, J.

2013-12-01

Flow and transport in low permeability fractured rock is primary in interconnected fracture networks. Prediction and characterization of flow and transport in fractured rock has important implications in underground repositories for hazardous materials (eg. nuclear and chemical waste), contaminant migration and remediation, groundwater resource management, and hydrocarbon extraction. We have developed methods to explicitly model flow in discrete fracture networks and track flow paths using passive particle tracking algorithms. Visualization and analysis of particle trajectory through the fracture network is important to understanding fracture connectivity, flow patterns, potential contaminant pathways and fast paths through the network. However, occlusion due to the large number of highly tessellated and intersecting fracture polygons preclude the effective use of traditional visualization methods. We would also like quantitative analysis methods to characterize the trajectory of a large number of particle paths. We have solved these problems by defining a hierarchal flow network representing the topology of particle flow through the fracture network. This approach allows us to analyses the flow and the dynamics of the system as a whole. We are able to easily query the flow network, and use paint-and-link style framework to filter the fracture geometry and particle traces based on the flow analytics. This allows us to greatly reduce occlusion while emphasizing salient features such as the principal transport pathways. Examples are shown that demonstrate the methodology and highlight how use of this new method allows quantitative analysis and characterization of flow and transport in a number of representative fracture networks.

Fracture size and transmissivity correlations: Implications for transport simulations in sparse three-dimensional discrete fracture networks following a truncated power law distribution of fracture size

DOE PAGES

Hyman, Jeffrey De'Haven; Aldrich, Garrett Allen; Viswanathan, Hari S.; ...

2016-08-01

We characterize how different fracture size-transmissivity relationships influence flow and transport simulations through sparse three-dimensional discrete fracture networks. Although it is generally accepted that there is a positive correlation between a fracture's size and its transmissivity/aperture, the functional form of that relationship remains a matter of debate. Relationships that assume perfect correlation, semicorrelation, and noncorrelation between the two have been proposed. To study the impact that adopting one of these relationships has on transport properties, we generate multiple sparse fracture networks composed of circular fractures whose radii follow a truncated power law distribution. The distribution of transmissivities are selected somore » that the mean transmissivity of the fracture networks are the same and the distributions of aperture and transmissivity in models that include a stochastic term are also the same. We observe that adopting a correlation between a fracture size and its transmissivity leads to earlier breakthrough times and higher effective permeability when compared to networks where no correlation is used. While fracture network geometry plays the principal role in determining where transport occurs within the network, the relationship between size and transmissivity controls the flow speed. Lastly, these observations indicate DFN modelers should be aware that breakthrough times and effective permeabilities can be strongly influenced by such a relationship in addition to fracture and network statistics.« less

Fracture size and transmissivity correlations: Implications for transport simulations in sparse three-dimensional discrete fracture networks following a truncated power law distribution of fracture size

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyman, Jeffrey De'Haven; Aldrich, Garrett Allen; Viswanathan, Hari S.

We characterize how different fracture size-transmissivity relationships influence flow and transport simulations through sparse three-dimensional discrete fracture networks. Although it is generally accepted that there is a positive correlation between a fracture's size and its transmissivity/aperture, the functional form of that relationship remains a matter of debate. Relationships that assume perfect correlation, semicorrelation, and noncorrelation between the two have been proposed. To study the impact that adopting one of these relationships has on transport properties, we generate multiple sparse fracture networks composed of circular fractures whose radii follow a truncated power law distribution. The distribution of transmissivities are selected somore » that the mean transmissivity of the fracture networks are the same and the distributions of aperture and transmissivity in models that include a stochastic term are also the same. We observe that adopting a correlation between a fracture size and its transmissivity leads to earlier breakthrough times and higher effective permeability when compared to networks where no correlation is used. While fracture network geometry plays the principal role in determining where transport occurs within the network, the relationship between size and transmissivity controls the flow speed. Lastly, these observations indicate DFN modelers should be aware that breakthrough times and effective permeabilities can be strongly influenced by such a relationship in addition to fracture and network statistics.« less

Fate and transport of plutonium-239 + 240 and Americium-241 in the soil of Rocky Flats, Colorado

DOE Office of Scientific and Technical Information (OSTI.GOV)

Litaor, M.I.; Barth, G.R.; Zika, E.M.

1996-07-01

Actinides contamination of soils around Rocky Flats, CO, resulted from leaking drums of Pu-contaminated oil stored at an outdoor site. The transport of these actinides through the soil to groundwater was studied using an advanced monitoring system (MS). The fully automated, remotely controlled MS gathered real-time data on soil water content, groundwater level, and timing of gravitationally flowing water. Controlled rain simulations coupled with measurements of volume flux and actinide activities provided essential information about the fate and transport of Pu-239 + 240 and Am-241. Volume fluxes at most sampling locations were similar, regardless of the antecedent moisture or themore » duration, frequency, and intensity of the simulated rain. Actinide activities were not correlated with the measured volume flux, or the duration, frequency, and intensity of the simulated rain. Flow was facilitated primarily via macropore channeling. The relatively short residence time precluded a continuous interaction between the soil and the flowing water, which minimized the movement of actinides in the soil. Actinide activities in the interstitial water collected from the upper 20 cm of the soil were significantly higher (P>0.001) than water collected at deeper sampling depths (20-70 cm). Actinide activity in water samples from the deepest sampling depth (40-70 cm) did not exceed 0.4 Bq/L. These results suggest that, under the experimental conditions, the movement of actinides was restricted to the top 20 cm. A transport mechanism involving discrete Pu oxide particles, coupled with macropore channeling is proposed to explain the observed actinide activities in the soil. 31 refs., 6 figs., 7 tabs.« less

Discrete Element Modelling of Floating Debris

NASA Astrophysics Data System (ADS)

Mahaffey, Samantha; Liang, Qiuhua; Parkin, Geoff; Large, Andy; Rouainia, Mohamed

2016-04-01

Flash flooding is characterised by high velocity flows which impact vulnerable catchments with little warning time and as such, result in complex flow dynamics which are difficult to replicate through modelling. The impacts of flash flooding can be made yet more severe by the transport of both natural and anthropogenic debris, ranging from tree trunks to vehicles, wheelie bins and even storage containers, the effects of which have been clearly evident during recent UK flooding. This cargo of debris can have wide reaching effects and result in actual flood impacts which diverge from those predicted. A build-up of debris may lead to partial channel blockage and potential flow rerouting through urban centres. Build-up at bridges and river structures also leads to increased hydraulic loading which may result in damage and possible structural failure. Predicting the impacts of debris transport; however, is difficult as conventional hydrodynamic modelling schemes do not intrinsically include floating debris within their calculations. Subsequently a new tool has been developed using an emerging approach, which incorporates debris transport through the coupling of two existing modelling techniques. A 1D hydrodynamic modelling scheme has here been coupled with a 2D discrete element scheme to form a new modelling tool which predicts the motion and flow-interaction of floating debris. Hydraulic forces arising from flow around the object are applied to instigate its motion. Likewise, an equivalent opposing force is applied to fluid cells, enabling backwater effects to be simulated. Shock capturing capabilities make the tool applicable to predicting the complex flow dynamics associated with flash flooding. The modelling scheme has been applied to experimental case studies where cylindrical wooden dowels are transported by a dam-break wave. These case studies enable validation of the tool's shock capturing capabilities and the coupling technique applied between the two numerical schemes. The results show that the tool is able to adequately replicate water depth and depth-averaged velocity of a dam-break wave, as well as velocity and displacement of floating cylindrical elements, thus validating its shock capturing capabilities and the coupling technique applied for this simple test case. Future development of the tool will incorporate a 2D hydrodynamic scheme and a 3D discrete element scheme in order to model the more complex processes associated with debris transport.

TH-AB-BRA-09: Stability Analysis of a Novel Dose Calculation Algorithm for MRI Guided Radiotherapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zelyak, O; Fallone, B; Cross Cancer Institute, Edmonton, AB

2016-06-15

Purpose: To determine the iterative deterministic solution stability of the Linear Boltzmann Transport Equation (LBTE) in the presence of magnetic fields. Methods: The LBTE with magnetic fields under investigation is derived using a discrete ordinates approach. The stability analysis is performed using analytical and numerical methods. Analytically, the spectral Fourier analysis is used to obtain the convergence rate of the source iteration procedures based on finding the largest eigenvalue of the iterative operator. This eigenvalue is a function of relevant physical parameters, such as magnetic field strength and material properties, and provides essential information about the domain of applicability requiredmore » for clinically optimal parameter selection and maximum speed of convergence. The analytical results are reinforced by numerical simulations performed using the same discrete ordinates method in angle, and a discontinuous finite element spatial approach. Results: The spectral radius for the source iteration technique of the time independent transport equation with isotropic and anisotropic scattering centers inside infinite 3D medium is equal to the ratio of differential and total cross sections. The result is confirmed numerically by solving LBTE and is in full agreement with previously published results. The addition of magnetic field reveals that the convergence becomes dependent on the strength of magnetic field, the energy group discretization, and the order of anisotropic expansion. Conclusion: The source iteration technique for solving the LBTE with magnetic fields with the discrete ordinates method leads to divergent solutions in the limiting cases of small energy discretizations and high magnetic field strengths. Future investigations into non-stationary Krylov subspace techniques as an iterative solver will be performed as this has been shown to produce greater stability than source iteration. Furthermore, a stability analysis of a discontinuous finite element space-angle approach (which has been shown to provide the greatest stability) will also be investigated. Dr. B Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization)« less

On the torsional loading of elastoplastic spheres in contact

NASA Astrophysics Data System (ADS)

Nadimi, Sadegh; Fonseca, Joana

2017-06-01

The mechanical interaction between two bodies involves normal loading in combination with tangential, torsional and rotational loading. This paper focuses on the torsional loading of two spherical bodies which leads to twisting moment. The theoretical approach for calculating twisting moment between two spherical bodies has been proposed by Lubkin [1]. Due to the complexity of the solution, this has been simplified by Deresiewicz for discrete element modelling [2]. Here, the application of a simplified model for elastoplastic spheres is verified using computational modelling. The single grain interaction is simulated in a combined finite discrete element domain. In this domain a grain can deform using a finite element formulation and can interact with other objects based on discrete element principles. For an elastoplastic model, the contact area is larger in comparison with the elastic model, under a given normal force. Therefore, the plastic twisting moment is stiffer. The results presented here are important for describing any granular system involving torsional loading of elastoplastic grains. In particular, recent research on the behaviour of soil has clearly shown the importance of plasticity on grain interaction and rearrangement.

Difference equation state approximations for nonlinear hereditary control problems

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1984-01-01

Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems. Previously announced in STAR as N83-33589

Modeling discrete and rhythmic movements through motor primitives: a review.

PubMed

Degallier, Sarah; Ijspeert, Auke

2010-10-01

Rhythmic and discrete movements are frequently considered separately in motor control, probably because different techniques are commonly used to study and model them. Yet the increasing interest in finding a comprehensive model for movement generation requires bridging the different perspectives arising from the study of those two types of movements. In this article, we consider discrete and rhythmic movements within the framework of motor primitives, i.e., of modular generation of movements. In this way we hope to gain an insight into the functional relationships between discrete and rhythmic movements and thus into a suitable representation for both of them. Within this framework we can define four possible categories of modeling for discrete and rhythmic movements depending on the required command signals and on the spinal processes involved in the generation of the movements. These categories are first discussed in terms of biological concepts such as force fields and central pattern generators and then illustrated by several mathematical models based on dynamical system theory. A discussion on the plausibility of theses models concludes the work.

Graph-cut based discrete-valued image reconstruction.

PubMed

Tuysuzoglu, Ahmet; Karl, W Clem; Stojanovic, Ivana; Castañòn, David; Ünlü, M Selim

2015-05-01

Efficient graph-cut methods have been used with great success for labeling and denoising problems occurring in computer vision. Unfortunately, the presence of linear image mappings has prevented the use of these techniques in most discrete-amplitude image reconstruction problems. In this paper, we develop a graph-cut based framework for the direct solution of discrete amplitude linear image reconstruction problems cast as regularized energy function minimizations. We first analyze the structure of discrete linear inverse problem cost functions to show that the obstacle to the application of graph-cut methods to their solution is the variable mixing caused by the presence of the linear sensing operator. We then propose to use a surrogate energy functional that overcomes the challenges imposed by the sensing operator yet can be utilized efficiently in existing graph-cut frameworks. We use this surrogate energy functional to devise a monotonic iterative algorithm for the solution of discrete valued inverse problems. We first provide experiments using local convolutional operators and show the robustness of the proposed technique to noise and stability to changes in regularization parameter. Then we focus on nonlocal, tomographic examples where we consider limited-angle data problems. We compare our technique with state-of-the-art discrete and continuous image reconstruction techniques. Experiments show that the proposed method outperforms state-of-the-art techniques in challenging scenarios involving discrete valued unknowns.

A review of the application and contribution of discrete choice experiments to inform human resources policy interventions

PubMed Central

Lagarde, Mylene; Blaauw, Duane

2009-01-01

Although the factors influencing the shortage and maldistribution of health workers have been well-documented by cross-sectional surveys, there is less evidence on the relative determinants of health workers' job choices, or on the effects of policies designed to address these human resources problems. Recently, a few studies have adopted an innovative approach to studying the determinants of health workers' job preferences. In the absence of longitudinal datasets to analyse the decisions that health workers have actually made, authors have drawn on methods from marketing research and transport economics and used Discrete Choice Experiments to analyse stated preferences of health care providers for different job characteristics. We carried out a literature review of studies using discrete choice experiments to investigate human resources issues related to health workers, both in developed and developing countries. Several economic and health systems bibliographic databases were used, and contacts were made with practitioners in the field to identify published and grey literature. Ten studies were found that used discrete choice experiments to investigate the job preferences of health care providers. The use of discrete choice experiments techniques enabled researchers to determine the relative importance of different factors influencing health workers' choices. The studies showed that non-pecuniary incentives are significant determinants, sometimes more powerful than financial ones. The identified studies also emphasized the importance of investigating the preferences of different subgroups of health workers. Discrete choice experiments are a valuable tool for informing decision-makers on how to design strategies to address human resources problems. As they are relatively quick and cheap survey instruments, discrete choice experiments present various advantages for informing policies in developing countries, where longitudinal labour market data are seldom available. Yet they are complex research instruments requiring expertise in a number of different areas. Therefore it is essential that researchers also understand the potential limitations of discrete choice experiment methods. PMID:19630965

Anticipation of the landing shock phenomenon in flight simulation

NASA Technical Reports Server (NTRS)

Mcfarland, Richard E.

1987-01-01

An aircraft landing may be described as a controlled crash because a runway surface is intercepted. In a simulation model the transition from aerodynamic flight to weight on wheels involves a single computational cycle during which stiff differential equations are activated; with a significant probability these initial conditions are unrealistic. This occurs because of the finite cycle time, during which large restorative forces will accompany unrealistic initial oleo compressions. This problem was recognized a few years ago at Ames Research Center during simulation studies of a supersonic transport. The mathematical model of this vehicle severely taxed computational resources, and required a large cycle time. The ground strike problem was solved by a described technique called anticipation equations. This extensively used technique has not been previously reported. The technique of anticipating a significant event is a useful tool in the general field of discrete flight simulation. For the differential equations representing a landing gear model stiffness, rate of interception and cycle time may combine to produce an unrealistic simulation of the continuum.

Design strategy for terahertz quantum dot cascade lasers.

PubMed

Burnett, Benjamin A; Williams, Benjamin S

2016-10-31

The development of quantum dot cascade lasers has been proposed as a path to obtain terahertz semiconductor lasers that operate at room temperature. The expected benefit is due to the suppression of nonradiative electron-phonon scattering and reduced dephasing that accompanies discretization of the electronic energy spectrum. We present numerical modeling which predicts that simple scaling of conventional quantum well based designs to the quantum dot regime will likely fail due to electrical instability associated with high-field domain formation. A design strategy adapted for terahertz quantum dot cascade lasers is presented which avoids these problems. Counterintuitively, this involves the resonant depopulation of the laser's upper state with the LO-phonon energy. The strategy is tested theoretically using a density matrix model of transport and gain, which predicts sufficient gain for lasing at stable operating points. Finally, the effect of quantum dot size inhomogeneity on the optical lineshape is explored, suggesting that the design concept is robust to a moderate amount of statistical variation.

Digital microfluidics and delivery of molecular payloads with magnetic porous silicon chaperones.

PubMed

Dorvee, Jason R; Sailor, Michael J; Miskelly, Gordon M

2008-02-14

Digital microfluidics involves the manipulation of molecules and materials in discrete packages. This paper reviews our work using amphiphilic magnetic microparticles constructed from porous silicon. An individual porous particle can be used to carry a nanomole or smaller quantities of a reagent, and assemblies of the particles can encapsulate and transport microliter droplets of liquid containing inorganic, organic, or biological molecules. The tracking and identification of each particle can be accomplished with spectral labels that are encoded into the particles during their synthesis. When used to chaperone liquid droplets, the labels can identify the separate droplets prior to mixing and also the combined droplets after mixing. Magnetic iron oxide nanoparticles encapsulated in the porous matrix allow the manipulation of the particles or whole droplet assemblies with a magnetic field, and they also allow heating of the particle's payload by means of an externally applied RF field. Examples of organic, inorganic, and biomolecular addition reactions, catalytic reactions, and thermolysis reactions are described.

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hadgu, Teklu; Karra, Satish; Kalinina, Elena

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. In this paper, we compare DFN and ECM in termsmore » of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km 3) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. Finally, we identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.« less

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

DOE PAGES

Hadgu, Teklu; Karra, Satish; Kalinina, Elena; ...

2017-07-28

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. In this paper, we compare DFN and ECM in termsmore » of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km 3) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. Finally, we identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.« less

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

NASA Astrophysics Data System (ADS)

Hadgu, Teklu; Karra, Satish; Kalinina, Elena; Makedonska, Nataliia; Hyman, Jeffrey D.; Klise, Katherine; Viswanathan, Hari S.; Wang, Yifeng

2017-10-01

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. We compare DFN and ECM in terms of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km3) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. We identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.

Revisiting Temporal Markov Chains for Continuum modeling of Transport in Porous Media

NASA Astrophysics Data System (ADS)

Delgoshaie, A. H.; Jenny, P.; Tchelepi, H.

2017-12-01

The transport of fluids in porous media is dominated by flow­-field heterogeneity resulting from the underlying permeability field. Due to the high uncertainty in the permeability field, many realizations of the reference geological model are used to describe the statistics of the transport phenomena in a Monte Carlo (MC) framework. There has been strong interest in working with stochastic formulations of the transport that are different from the standard MC approach. Several stochastic models based on a velocity process for tracer particle trajectories have been proposed. Previous studies have shown that for high variances of the log-conductivity, the stochastic models need to account for correlations between consecutive velocity transitions to predict dispersion accurately. The correlated velocity models proposed in the literature can be divided into two general classes of temporal and spatial Markov models. Temporal Markov models have been applied successfully to tracer transport in both the longitudinal and transverse directions. These temporal models are Stochastic Differential Equations (SDEs) with very specific drift and diffusion terms tailored for a specific permeability correlation structure. The drift and diffusion functions devised for a certain setup would not necessarily be suitable for a different scenario, (e.g., a different permeability correlation structure). The spatial Markov models are simple discrete Markov chains that do not require case specific assumptions. However, transverse spreading of contaminant plumes has not been successfully modeled with the available correlated spatial models. Here, we propose a temporal discrete Markov chain to model both the longitudinal and transverse dispersion in a two-dimensional domain. We demonstrate that these temporal Markov models are valid for different correlation structures without modification. Similar to the temporal SDEs, the proposed model respects the limited asymptotic transverse spreading of the plume in two-dimensional problems.

Relationships between dissolved organic matter and discharge: New insights from in-situ measurements in a northern forested watershed

NASA Astrophysics Data System (ADS)

Pellerin, B. A.; Shanley, J. B.; Saraceno, J.; Aiken, G.; Sebestyen, S. D.; Bergamaschi, B. A.

2012-12-01

Quantifying the fundamental linkages between hydrology and dissolved organic matter (DOM) dynamics in streams and rivers is critical for understanding carbon loads, ecosystem food webs and metal transport. Accurately assessing this relationship is difficult, however, given that rapid changes in water flow paths and associated DOM sources are often not captured by traditional discrete sampling intervals of weeks to months. We explored DOM - discharge relationships at Sleepers River below a 40.5 hectare USGS research watershed in northern Vermont by making 30 minute chromophoric DOM fluorescence (FDOM) measurements in-situ since October 2008 along with periodic discrete sampling for dissolved organic carbon. There is a tight coupling between the timing of increases in FDOM and discharge at Sleepers during events, but the ratio of FDOM to discharge exhibited considerable variability across seasons and events, as did FDOM-discharge hysteresis (FDOM variously peaked 1-4 hours after streamflow). Discrete DOM quality indicators (spectral slope, fluorescence index, SUVA) indicate DOM was predominantly terrestrial at all but the lowest flows, highlighting the important role of DOM-rich terrestrial flow paths as the primary source of stream DOM. Our results suggest that changes in flow paths are likely to be the primary drivers of future changes in DOM transport from this site rather than changes in DOM quality. Overcoming significant challenges inherent in continuous sensor deployments in watersheds (e.g. ice cover, suspended particles, remote communication and power) will allow for new insights into watershed biogeochemistry.

SToRM: A numerical model for environmental surface flows

USGS Publications Warehouse

Simoes, Francisco J.

2009-01-01

SToRM (System for Transport and River Modeling) is a numerical model developed to simulate free surface flows in complex environmental domains. It is based on the depth-averaged St. Venant equations, which are discretized using unstructured upwind finite volume methods, and contains both steady and unsteady solution techniques. This article provides a brief description of the numerical approach selected to discretize the governing equations in space and time, including important aspects of solving natural environmental flows, such as the wetting and drying algorithm. The presentation is illustrated with several application examples, covering both laboratory and natural river flow cases, which show the model’s ability to solve complex flow phenomena.

Statistics of the quantized microwave electromagnetic field in mesoscopic elements at low temperature

NASA Astrophysics Data System (ADS)

Virally, Stéphane; Olivier Simoneau, Jean; Lupien, Christian; Reulet, Bertrand

2018-03-01

The quantum behavior of the electromagnetic field in mesoscopic elements is intimately linked to the quantization of the charge. In order to probe nonclassical aspects of the field in those elements, it is essential that thermal noise be reduced to the quantum level, i.e. to scales where kT ≲ hν. This is easily achieved in dilution refrigerators for frequencies of a few GHz, i.e. in the microwave domain. Several recent experiments have highlighted the link between discrete charge transport and discrete photon emission in simple mesoscopic elements such as a tunnel junction. Photocount statistics are inferred from the measurement of continuous variables such as the quadratures of the field.

Flux splitting algorithms for two-dimensional viscous flows with finite-rate chemistry

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun; Liou, Meng-Sing

1989-01-01

The Roe flux difference splitting method was extended to treat 2-D viscous flows with nonequilibrium chemistry. The derivations have avoided unnecessary assumptions or approximations. For spatial discretization, the second-order Roe upwind differencing is used for the convective terms and central differencing for the viscous terms. An upwind-based TVD scheme is applied to eliminate oscillations and obtain a sharp representation of discontinuities. A two-state Runge-Kutta method is used to time integrate the discretized Navier-Stokes and species transport equations for the asymptotic steady solutions. The present method is then applied to two types of flows: the shock wave/boundary layer interaction problems and the jet in cross flows.

Flux splitting algorithms for two-dimensional viscous flows with finite-rate chemistry

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun; Liou, Meng-Sing

1989-01-01

The Roe flux-difference splitting method has been extended to treat two-dimensional viscous flows with nonequilibrium chemistry. The derivations have avoided unnecessary assumptions or approximations. For spatial discretization, the second-order Roe upwind differencing is used for the convective terms and central differencing for the viscous terms. An upwind-based TVD scheme is applied to eliminate oscillations and obtain a sharp representation of discontinuities. A two-stage Runge-Kutta method is used to time integrate the discretized Navier-Stokes and species transport equations for the asymptotic steady solutions. The present method is then applied to two types of flows: the shock wave/boundary layer interaction problems and the jet in cross flows.

Tycho 2: A Proxy Application for Kinetic Transport Sweeps

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garrett, Charles Kristopher; Warsa, James S.

2016-09-14

Tycho 2 is a proxy application that implements discrete ordinates (SN) kinetic transport sweeps on unstructured, 3D, tetrahedral meshes. It has been designed to be small and require minimal dependencies to make collaboration and experimentation as easy as possible. Tycho 2 has been released as open source software. The software is currently in a beta release with plans for a stable release (version 1.0) before the end of the year. The code is parallelized via MPI across spatial cells and OpenMP across angles. Currently, several parallelization algorithms are implemented.

Texture mapping via optimal mass transport.

PubMed

Dominitz, Ayelet; Tannenbaum, Allen

2010-01-01

In this paper, we present a novel method for texture mapping of closed surfaces. Our method is based on the technique of optimal mass transport (also known as the "earth-mover's metric"). This is a classical problem that concerns determining the optimal way, in the sense of minimal transportation cost, of moving a pile of soil from one site to another. In our context, the resulting mapping is area preserving and minimizes angle distortion in the optimal mass sense. Indeed, we first begin with an angle-preserving mapping (which may greatly distort area) and then correct it using the mass transport procedure derived via a certain gradient flow. In order to obtain fast convergence to the optimal mapping, we incorporate a multiresolution scheme into our flow. We also use ideas from discrete exterior calculus in our computations.

Stabilization and discontinuity-capturing parameters for space-time flow computations with finite element and isogeometric discretizations

NASA Astrophysics Data System (ADS)

Takizawa, Kenji; Tezduyar, Tayfun E.; Otoguro, Yuto

2018-04-01

Stabilized methods, which have been very common in flow computations for many years, typically involve stabilization parameters, and discontinuity-capturing (DC) parameters if the method is supplemented with a DC term. Various well-performing stabilization and DC parameters have been introduced for stabilized space-time (ST) computational methods in the context of the advection-diffusion equation and the Navier-Stokes equations of incompressible and compressible flows. These parameters were all originally intended for finite element discretization but quite often used also for isogeometric discretization. The stabilization and DC parameters we present here for ST computations are in the context of the advection-diffusion equation and the Navier-Stokes equations of incompressible flows, target isogeometric discretization, and are also applicable to finite element discretization. The parameters are based on a direction-dependent element length expression. The expression is outcome of an easy to understand derivation. The key components of the derivation are mapping the direction vector from the physical ST element to the parent ST element, accounting for the discretization spacing along each of the parametric coordinates, and mapping what we have in the parent element back to the physical element. The test computations we present for pure-advection cases show that the parameters proposed result in good solution profiles.

Global exponential periodicity and stability of discrete-time complex-valued recurrent neural networks with time-delays.

PubMed

Hu, Jin; Wang, Jun

2015-06-01

In recent years, complex-valued recurrent neural networks have been developed and analysed in-depth in view of that they have good modelling performance for some applications involving complex-valued elements. In implementing continuous-time dynamical systems for simulation or computational purposes, it is quite necessary to utilize a discrete-time model which is an analogue of the continuous-time system. In this paper, we analyse a discrete-time complex-valued recurrent neural network model and obtain the sufficient conditions on its global exponential periodicity and exponential stability. Simulation results of several numerical examples are delineated to illustrate the theoretical results and an application on associative memory is also given. Copyright © 2015 Elsevier Ltd. All rights reserved.

Stochastic dynamics of time correlation in complex systems with discrete time

NASA Astrophysics Data System (ADS)

Yulmetyev, Renat; Hänggi, Peter; Gafarov, Fail

2000-11-01

In this paper we present the concept of description of random processes in complex systems with discrete time. It involves the description of kinetics of discrete processes by means of the chain of finite-difference non-Markov equations for time correlation functions (TCFs). We have introduced the dynamic (time dependent) information Shannon entropy Si(t) where i=0,1,2,3,..., as an information measure of stochastic dynamics of time correlation (i=0) and time memory (i=1,2,3,...). The set of functions Si(t) constitute the quantitative measure of time correlation disorder (i=0) and time memory disorder (i=1,2,3,...) in complex system. The theory developed started from the careful analysis of time correlation involving dynamics of vectors set of various chaotic states. We examine two stochastic processes involving the creation and annihilation of time correlation (or time memory) in details. We carry out the analysis of vectors' dynamics employing finite-difference equations for random variables and the evolution operator describing their natural motion. The existence of TCF results in the construction of the set of projection operators by the usage of scalar product operation. Harnessing the infinite set of orthogonal dynamic random variables on a basis of Gram-Shmidt orthogonalization procedure tends to creation of infinite chain of finite-difference non-Markov kinetic equations for discrete TCFs and memory functions (MFs). The solution of the equations above thereof brings to the recurrence relations between the TCF and MF of senior and junior orders. This offers new opportunities for detecting the frequency spectra of power of entropy function Si(t) for time correlation (i=0) and time memory (i=1,2,3,...). The results obtained offer considerable scope for attack on stochastic dynamics of discrete random processes in a complex systems. Application of this technique on the analysis of stochastic dynamics of RR intervals from human ECG's shows convincing evidence for a non-Markovian phenomemena associated with a peculiarities in short- and long-range scaling. This method may be of use in distinguishing healthy from pathologic data sets based in differences in these non-Markovian properties.

Continuum kinetic modeling of the tokamak plasma edge

DOE PAGES

Dorf, M. A.; Dorr, M.; Rognlien, T.; ...

2016-03-10

In this study, the first 4D (axisymmetric) high-order continuum gyrokinetic transport simulations that span the magnetic separatrix of a tokamak are presented. The modeling is performed with the COGENT code, which is distinguished by fourth-order finite-volume discretization combined with mapped multiblock grid technology to handle the strong anisotropy of plasmatransport and the complex X-point divertor geometry with high accuracy. The calculations take into account the effects of fully nonlinear Fokker-Plank collisions, electrostatic potential variations, and anomalous radial transport. Topics discussed include: (a) ion orbit loss and the associated toroidal rotation and (b) edge plasma relaxation in the presence of anomalousmore » radial transport.« less

The Transport Equation in Optically Thick Media: Discussion of IMC and its Diffusion Limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szoke, A.; Brooks, E. D.

2016-07-12

We discuss the limits of validity of the Implicit Monte Carlo (IMC) method for the transport of thermally emitted radiation. The weakened coupling between the radiation and material energy of the IMC method causes defects in handling problems with strong transients. We introduce an approach to asymptotic analysis for the transport equation that emphasizes the fact that the radiation and material temperatures are always different in time-dependent problems, and we use it to show that IMC does not produce the correct diffusion limit. As this is a defect of IMC in the continuous equations, no improvement to its discretization canmore » remedy it.« less

Fast method for reactor and feature scale coupling in ALD and CVD

DOEpatents

Yanguas-Gil, Angel; Elam, Jeffrey W.

2017-08-08

Transport and surface chemistry of certain deposition techniques is modeled. Methods provide a model of the transport inside nanostructures as a single-particle discrete Markov chain process. This approach decouples the complexity of the surface chemistry from the transport model, thus allowing its application under general surface chemistry conditions, including atomic layer deposition (ALD) and chemical vapor deposition (CVD). Methods provide for determination of determine statistical information of the trajectory of individual molecules, such as the average interaction time or the number of wall collisions for molecules entering the nanostructures as well as to track the relative contributions to thin-film growth of different independent reaction pathways at each point of the feature.

Wigner Transport Simulation of Resonant Tunneling Diodes with Auxiliary Quantum Wells

NASA Astrophysics Data System (ADS)

Lee, Joon-Ho; Shin, Mincheol; Byun, Seok-Joo; Kim, Wangki

2018-03-01

Resonant-tunneling diodes (RTDs) with auxiliary quantum wells ( e.g., emitter prewell, subwell, and collector postwell) are studied using a Wigner transport equation (WTE) discretized by a thirdorder upwind differential scheme. A flat-band potential profile is used for the WTE simulation. Our calculations revealed functions of the auxiliary wells as follows: The prewell increases the current density ( J) and the peak voltage ( V p ) while decreasing the peak-to-valley current ratio (PVCR), and the postwell decreases J while increasing the PVCR. The subwell affects J and PVCR, but its main effect is to decrease V p . When multiple auxiliary wells are used, each auxiliary well contributes independently to the transport without producing side effects.

Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels.

PubMed

Kong, Xian; Jiang, Jian; Lu, Diannan; Liu, Zheng; Wu, Jianzhong

2014-09-04

Ion transport through nanochannels depends on various external driving forces as well as the structural and hydrodynamic inhomogeneity of the confined fluid inside of the pore. Conventional models of electrokinetic transport neglect the discrete nature of ionic species and electrostatic correlations important at the boundary and often lead to inconsistent predictions of the surface potential and the surface charge density. Here, we demonstrate that the electrokinetic phenomena can be successfully described by the classical density functional theory in conjunction with the Navier-Stokes equation for the fluid flow. The new theoretical procedure predicts ion conductivity in various pH-regulated nanochannels under different driving forces, in excellent agreement with experimental data.

First principle study of transport properties of a graphene nano structure

NASA Astrophysics Data System (ADS)

Kumar, Naveen; Sharma, Munish; Sharma, Jyoti Dhar; Ahluwalia, P. K.

2013-06-01

The first principle quantum transport calculations have been performed for graphene using Tran SIESTA which calculates transport properties using nonequilibrium Green's function method in conjunction with density-functional theory. Transmission functions, electron density of states and current-voltage characteristic have been calculated for a graphene nano structure using graphene electrodes. Transmission function, density of states and projected density of states show a discrete band structure which varies with applied voltage. The value of current is very low for applied voltage between 0.0 V to 5.0 V and lies in the range of pico ampere. In the V-I characteristic current shows non-linear fluctuating pattern with increase in voltage.

14 CFR 25.345 - High lift devices.

Code of Federal Regulations, 2014 CFR

2014-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.345 High lift... level flight. Gust loads resulting on each part of the structure must be determined by rational analysis... prescribed in § 25.337(b); and (2) The discrete vertical gust criteria in § 25.341(a). (d) The airplane must...

14 CFR 25.345 - High lift devices.

Code of Federal Regulations, 2012 CFR

2012-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.345 High lift... level flight. Gust loads resulting on each part of the structure must be determined by rational analysis... prescribed in § 25.337(b); and (2) The discrete vertical gust criteria in § 25.341(a). (d) The airplane must...

14 CFR 25.345 - High lift devices.

Code of Federal Regulations, 2013 CFR

2013-01-01

... STANDARDS: TRANSPORT CATEGORY AIRPLANES Structure Flight Maneuver and Gust Conditions § 25.345 High lift... level flight. Gust loads resulting on each part of the structure must be determined by rational analysis... prescribed in § 25.337(b); and (2) The discrete vertical gust criteria in § 25.341(a). (d) The airplane must...

Development of Systematic Approaches for Calibration of Subsurface Transport Models Using Hard and Soft Data on System Characteristics and Behavior

DTIC Science & Technology

2011-02-02

who graduated during this period and will receive scholarships or fellowships for further studies in science, mathematics, engineering or technology...nature or are collected at discrete points or localized areas in the system. The qualitative data includes, geology , large-scale stratigraphy and

Efficient and Accurate Computation of Non-Negative Anisotropic Group Scattering Cross Sections for Discrete Ordinates and Monte Carlo Radiation Transport

DTIC Science & Technology

2002-07-01

Date Kirk A. Mathews (Advisor) James T. Moore (Dean’s Representative) Charles J. Bridgman (Member...Adler-Adler, and Kalbach -Mann representations of the scatter cross sections that are used for some isotopes in ENDF/B-VI are not included. They are not

Performance Analysis of Wireless Networks for Industrial Automation-Process Automation (WIA-PA)

DTIC Science & Technology

2017-09-01

electrical, water and wastewater, oil and natural gas, chemical, transportation, pharmaceutical, pulp and paper, food and beverage, and discrete...scheduling method for isa100.11a,” in 2013 11th IEEE International Conference on Industrial Informatics (INDIN), 2013, pp. 649–654. [24] Y. Wei and D.-S

Towards a new multiscale air quality transport model using the fully unstructured anisotropic adaptive mesh technology of Fluidity (version 4.1.9)

NASA Astrophysics Data System (ADS)

Zheng, J.; Zhu, J.; Wang, Z.; Fang, F.; Pain, C. C.; Xiang, J.

2015-10-01

An integrated method of advanced anisotropic hr-adaptive mesh and discretization numerical techniques has been, for first time, applied to modelling of multiscale advection-diffusion problems, which is based on a discontinuous Galerkin/control volume discretization on unstructured meshes. Over existing air quality models typically based on static-structured grids using a locally nesting technique, the advantage of the anisotropic hr-adaptive model has the ability to adapt the mesh according to the evolving pollutant distribution and flow features. That is, the mesh resolution can be adjusted dynamically to simulate the pollutant transport process accurately and effectively. To illustrate the capability of the anisotropic adaptive unstructured mesh model, three benchmark numerical experiments have been set up for two-dimensional (2-D) advection phenomena. Comparisons have been made between the results obtained using uniform resolution meshes and anisotropic adaptive resolution meshes. Performance achieved in 3-D simulation of power plant plumes indicates that this new adaptive multiscale model has the potential to provide accurate air quality modelling solutions effectively.

Discrete multi-physics simulations of diffusive and convective mass transfer in boundary layers containing motile cilia in lungs.

PubMed

Ariane, Mostapha; Kassinos, Stavros; Velaga, Sitaram; Alexiadis, Alessio

2018-04-01

In this paper, the mass transfer coefficient (permeability) of boundary layers containing motile cilia is investigated by means of discrete multi-physics. The idea is to understand the main mechanisms of mass transport occurring in a ciliated-layer; one specific application being inhaled drugs in the respiratory epithelium. The effect of drug diffusivity, cilia beat frequency and cilia flexibility is studied. Our results show the existence of three mass transfer regimes. A low frequency regime, which we called shielding regime, where the presence of the cilia hinders mass transport; an intermediate frequency regime, which we have called diffusive regime, where diffusion is the controlling mechanism; and a high frequency regime, which we have called convective regime, where the degree of bending of the cilia seems to be the most important factor controlling mass transfer in the ciliated-layer. Since the flexibility of the cilia and the frequency of the beat changes with age and health conditions, the knowledge of these three regimes allows prediction of how mass transfer varies with these factors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Two-dimensional fast marching for geometrical optics.

PubMed

Capozzoli, Amedeo; Curcio, Claudio; Liseno, Angelo; Savarese, Salvatore

2014-11-03

We develop an approach for the fast and accurate determination of geometrical optics solutions to Maxwell's equations in inhomogeneous 2D media and for TM polarized electric fields. The eikonal equation is solved by the fast marching method. Particular attention is paid to consistently discretizing the scatterers' boundaries and matching the discretization to that of the computational domain. The ray tracing is performed, in a direct and inverse way, by using a technique introduced in computer graphics for the fast and accurate generation of textured images from vector fields. The transport equation is solved by resorting only to its integral form, the transport of polarization being trivial for the considered geometry and polarization. Numerical results for the plane wave scattering of two perfectly conducting circular cylinders and for a Luneburg lens prove the accuracy of the algorithm. In particular, it is shown how the approach is capable of properly accounting for the multiple scattering occurring between the two metallic cylinders and how inverse ray tracing should be preferred to direct ray tracing in the case of the Luneburg lens.

Mobility of discrete multibreathers in the exciton dynamics of the Davydov model with saturable nonlinearities.

PubMed

Tchinang Tchameu, J D; Togueu Motcheyo, A B; Tchawoua, C

2014-10-01

We show that the state of amide-I excitations in proteins is modeled by the discrete nonlinear Schrödinger equation with saturable nonlinearities. This is done by extending the Davydov model to take into account the competition between local compression and local dilatation of the lattice, thus leading to the interplay between self-focusing and defocusing saturable nonlinearities. Site-centered (sc) mode and/or bond-centered mode like discrete multihump soliton (DMHS) solutions are found numerically and their stability is analyzed. As a result, we obtained the existence and stability diagrams for all observed types of sc DMHS solutions. We also note that the stability of sc DMHS solutions depends not only on the value of the interpeak separation but also on the number of peaks, while their counterpart having at least one intersite soliton is instable. A study of mobility is achieved and it appears that, depending on the higher-order saturable nonlinearity, DMHS-like mechanism for vibrational energy transport along the protein chain is possible.

Ideal GLM-MHD: About the entropy consistent nine-wave magnetic field divergence diminishing ideal magnetohydrodynamics equations

NASA Astrophysics Data System (ADS)

Derigs, Dominik; Winters, Andrew R.; Gassner, Gregor J.; Walch, Stefanie; Bohm, Marvin

2018-07-01

The paper presents two contributions in the context of the numerical simulation of magnetized fluid dynamics. First, we show how to extend the ideal magnetohydrodynamics (MHD) equations with an inbuilt magnetic field divergence cleaning mechanism in such a way that the resulting model is consistent with the second law of thermodynamics. As a byproduct of these derivations, we show that not all of the commonly used divergence cleaning extensions of the ideal MHD equations are thermodynamically consistent. Secondly, we present a numerical scheme obtained by constructing a specific finite volume discretization that is consistent with the discrete thermodynamic entropy. It includes a mechanism to control the discrete divergence error of the magnetic field by construction and is Galilean invariant. We implement the new high-order MHD solver in the adaptive mesh refinement code FLASH where we compare the divergence cleaning efficiency to the constrained transport solver available in FLASH (unsplit staggered mesh scheme).

Fourth order discretization of anisotropic heat conduction operator

NASA Astrophysics Data System (ADS)

Krasheninnikova, Natalia; Chacon, Luis

2008-11-01

In magnetized plasmas, heat conduction plays an important role in such processes as energy confinement, turbulence, and a number of instabilities. As a consequence of the presence of a magnetic field, heat transport is strongly anisotropic, with energy flowing preferentially along the magnetic field direction. This in turn results in parallel and perpendicular heat conduction coefficients being separated by orders of magnitude. The computational difficulties in treating such heat conduction anisotropies are significant, as perpendicular dynamics numerically is polluted by the parallel one. In this work, we report on progress of the implementation of a fourth order, conservative finite volume discretization scheme for the anisotropic heat conduction operator into the extended MHD code PIXIE3D [1]. We will demonstrate its spatial discretization accuracy and its effectiveness with two physical applications of interest, both of which feature a strong sensitivity to the heat conduction anisotropy: the thermal instability and the neoclassical tearing mode. [1] L. Chacon Phys. Plasmas 15, 056103 (2008)

Conceptual structure and the procedural affordances of rational numbers: relational reasoning with fractions and decimals.

PubMed

DeWolf, Melissa; Bassok, Miriam; Holyoak, Keith J

2015-02-01

The standard number system includes several distinct types of notations, which differ conceptually and afford different procedures. Among notations for rational numbers, the bipartite format of fractions (a/b) enables them to represent 2-dimensional relations between sets of discrete (i.e., countable) elements (e.g., red marbles/all marbles). In contrast, the format of decimals is inherently 1-dimensional, expressing a continuous-valued magnitude (i.e., proportion) but not a 2-dimensional relation between sets of countable elements. Experiment 1 showed that college students indeed view these 2-number notations as conceptually distinct. In a task that did not involve mathematical calculations, participants showed a strong preference to represent partitioned displays of discrete objects with fractions and partitioned displays of continuous masses with decimals. Experiment 2 provided evidence that people are better able to identify and evaluate ratio relationships using fractions than decimals, especially for discrete (or discretized) quantities. Experiments 3 and 4 found a similar pattern of performance for a more complex analogical reasoning task. When solving relational reasoning problems based on discrete or discretized quantities, fractions yielded greater accuracy than decimals; in contrast, when quantities were continuous, accuracy was lower for both symbolic notations. Whereas previous research has established that decimals are more effective than fractions in supporting magnitude comparisons, the present study reveals that fractions are relatively advantageous in supporting relational reasoning with discrete (or discretized) concepts. These findings provide an explanation for the effectiveness of natural frequency formats in supporting some types of reasoning, and have implications for teaching of rational numbers.

Calculus Limits Involving Infinity: The Role of Students' Informal Dynamic Reasoning

ERIC Educational Resources Information Center

Jones, Steven R.

2015-01-01

Few studies on calculus limits have centred their focus on student understanding of limits at infinity or infinite limits that involve continuous functions (as opposed to discrete sequences). This study examines student understanding of these types of limits using both pure mathematics and applied-science functions and formulas. Seven calculus…

Vesicles versus Tubes: Is Endoplasmic Reticulum-Golgi Transport in Plants Fundamentally Different from Other Eukaryotes?1

PubMed Central

Robinson, David G.; Brandizzi, Federica; Nakano, Akihiko

2015-01-01

The endoplasmic reticulum (ER) is the gateway to the secretory pathway in all eukaryotic cells. Its products subsequently pass through the Golgi apparatus on the way to the cell surface (true secretion) or to the lytic compartment of the cell (vacuolar protein transport). In animal cells, the Golgi apparatus is present as a stationary larger order complex near the nucleus, and transport between the cortical ER and the Golgi complex occurs via an intermediate compartment which is transported on microtubules. By contrast, higher plant cells have discrete mobile Golgi stacks that move along the cortical ER, and the intermediate compartment is absent. Although many of the major molecular players involved in ER-Golgi trafficking in mammalian and yeast (Saccharomyces cerevisiae) cells have homologs in higher plants, the narrow interface (less than 500 nm) between the Golgi and the ER, together with the motility factor, makes the identification of the transport vectors responsible for bidirectional traffic between these two organelles much more difficult. Over the years, a controversy has arisen over the two major possibilities by which transfer can occur: through vesicles or direct tubular connections. In this article, four leading plant cell biologists attempted to resolve this issue. Unfortunately, their opinions are so divergent and often opposing that it was not possible to reach a consensus. Thus, we decided to let each tell his or her version individually. The review begins with an article by Federica Brandizzi that provides the necessary molecular background on coat protein complexes in relation to the so-called secretory units model for ER-Golgi transport in highly vacuolated plant cells. The second article, written by Chris Hawes, presents the evidence in favor of tubules. It is followed by an article from David Robinson defending the classical notion that transport occurs via vesicles. The last article, by Akihiko Nakano, introduces the reader to possible alternatives to vesicles or tubules, which are now emerging as a result of exciting new developments in high-resolution light microscopy in yeast. PMID:25883241

Geant4-DNA track-structure simulations for gold nanoparticles: The importance of electron discrete models in nanometer volumes.

PubMed

Sakata, Dousatsu; Kyriakou, Ioanna; Okada, Shogo; Tran, Hoang N; Lampe, Nathanael; Guatelli, Susanna; Bordage, Marie-Claude; Ivanchenko, Vladimir; Murakami, Koichi; Sasaki, Takashi; Emfietzoglou, Dimitris; Incerti, Sebastien

2018-05-01

Gold nanoparticles (GNPs) are known to enhance the absorbed dose in their vicinity following photon-based irradiation. To investigate the therapeutic effectiveness of GNPs, previous Monte Carlo simulation studies have explored GNP dose enhancement using mostly condensed-history models. However, in general, such models are suitable for macroscopic volumes and for electron energies above a few hundred electron volts. We have recently developed, for the Geant4-DNA extension of the Geant4 Monte Carlo simulation toolkit, discrete physics models for electron transport in gold which include the description of the full atomic de-excitation cascade. These models allow event-by-event simulation of electron tracks in gold down to 10 eV. The present work describes how such specialized physics models impact simulation-based studies on GNP-radioenhancement in a context of x-ray radiotherapy. The new discrete physics models are compared to the Geant4 Penelope and Livermore condensed-history models, which are being widely used for simulation-based NP radioenhancement studies. An ad hoc Geant4 simulation application has been developed to calculate the absorbed dose in liquid water around a GNP and its radioenhancement, caused by secondary particles emitted from the GNP itself, when irradiated with a monoenergetic electron beam. The effect of the new physics models is also quantified in the calculation of secondary particle spectra, when originating in the GNP and when exiting from it. The new physics models show similar backscattering coefficients with the existing Geant4 Livermore and Penelope models in large volumes for 100 keV incident electrons. However, in submicron sized volumes, only the discrete models describe the high backscattering that should still be present around GNPs at these length scales. Sizeable differences (mostly above a factor of 2) are also found in the radial distribution of absorbed dose and secondary particles between the new and the existing Geant4 models. The degree to which these differences are due to intrinsic limitations of the condensed-history models or to differences in the underling scattering cross sections requires further investigation. Improved physics models for gold are necessary to better model the impact of GNPs in radiotherapy via Monte Carlo simulations. We implemented discrete electron transport models for gold in Geant4 that is applicable down to 10 eV including the modeling of the full de-excitation cascade. It is demonstrated that the new model has a significant positive impact on particle transport simulations in gold volumes with submicron dimensions compared to the existing Livermore and Penelope condensed-history models of Geant4. © 2018 American Association of Physicists in Medicine.

Spin diffusion from an inhomogeneous quench in an integrable system.

PubMed

Ljubotina, Marko; Žnidarič, Marko; Prosen, Tomaž

2017-07-13

Generalized hydrodynamics predicts universal ballistic transport in integrable lattice systems when prepared in generic inhomogeneous initial states. However, the ballistic contribution to transport can vanish in systems with additional discrete symmetries. Here we perform large scale numerical simulations of spin dynamics in the anisotropic Heisenberg XXZ spin 1/2 chain starting from an inhomogeneous mixed initial state which is symmetric with respect to a combination of spin reversal and spatial reflection. In the isotropic and easy-axis regimes we find non-ballistic spin transport which we analyse in detail in terms of scaling exponents of the transported magnetization and scaling profiles of the spin density. While in the easy-axis regime we find accurate evidence of normal diffusion, the spin transport in the isotropic case is clearly super-diffusive, with the scaling exponent very close to 2/3, but with universal scaling dynamics which obeys the diffusion equation in nonlinearly scaled time.

15 CFR 715.3 - Declarations returned without action by BIS.

Code of Federal Regulations, 2013 CFR

2013-01-01

... Trade (Continued) BUREAU OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.3 Declarations returned...

15 CFR 715.3 - Declarations returned without action by BIS.

Code of Federal Regulations, 2011 CFR

2011-01-01

... Trade (Continued) BUREAU OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.3 Declarations returned...

15 CFR 715.3 - Declarations returned without action by BIS.

Code of Federal Regulations, 2012 CFR

2012-01-01

... Trade (Continued) BUREAU OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.3 Declarations returned...

15 CFR 715.3 - Declarations returned without action by BIS.

Code of Federal Regulations, 2010 CFR

2010-01-01

... Trade (Continued) BUREAU OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.3 Declarations returned...

Discrete transparent boundary conditions for the mixed KDV-BBM equation

NASA Astrophysics Data System (ADS)

Besse, Christophe; Noble, Pascal; Sanchez, David

2017-09-01

In this paper, we consider artificial boundary conditions for the linearized mixed Korteweg-de Vries (KDV) and Benjamin-Bona-Mahoney (BBM) equation which models water waves in the small amplitude, large wavelength regime. Continuous (respectively discrete) artificial boundary conditions involve non local operators in time which in turn requires to compute time convolutions and invert the Laplace transform of an analytic function (respectively the Z-transform of an holomorphic function). In this paper, we propose a new, stable and fairly general strategy to carry out this crucial step in the design of transparent boundary conditions. For large time simulations, we also introduce a methodology based on the asymptotic expansion of coefficients involved in exact direct transparent boundary conditions. We illustrate the accuracy of our methods for Gaussian and wave packets initial data.

Hypothalamic orexin (hypocretin) neurons express vesicular glutamate transporters VGLUT1 or VGLUT2.

PubMed

Rosin, Diane L; Weston, Matthew C; Sevigny, Charles P; Stornetta, Ruth L; Guyenet, Patrice G

2003-10-27

Initially recognized for their importance in control of appetite, orexins (also called hypocretins) are neuropeptides that are also involved in regulating sleep, arousal, and cardiovascular function. Loss of orexin appears to be the primary cause of narcolepsy. Cells expressing the orexins are restricted to a discrete region of the hypothalamus, but their terminal projections are widely distributed throughout the brain. With the diversity of function and broad distribution of orexin terminals, it is not known whether the orexin cells constitute a homogeneous population. Because orexins produce neuroexcitatory effects, we hypothesized that orexin-containing neurons are glutamatergic. In the present study we used digoxigenin-labeled cRNA probes for the vesicular glutamate transporters, VGLUT1 and VGLUT2, for in situ hybridization studies in combination with immunohistochemical detection of orexin cell bodies in the hypothalamus. In general, cells in the hypothalamus expressed low levels of the vesicular glutamate transporters relative to other areas of the forebrain, such as the cortex and thalamus. Light labeling for VGLUT2 mRNA was detected in about 50% of the orexin-immunoreactive neurons, and a much smaller percentage (approximately 13%) of orexin-immunoreactive cells was found to express VGLUT1. Despite the fact that intense labeling for GAD67 mRNA was found in a large number of cells throughout the hypothalamus, none of the orexin-immunoreactive cells was found to be GABAergic. These findings, showing that many of the orexin neurons are glutamatergic, are consistent with the neuroexcitatory effects of orexin but suggest that another neurochemical phenotype may define the remaining subset of orexin neurons. Copyright 2003 Wiley-Liss, Inc.

Taxonomic and functional characteristics of microbial communities and their correlation with physicochemical properties of four geothermal springs in Odisha, India

PubMed Central

Badhai, Jhasketan; Ghosh, Tarini S.; Das, Subrata K.

2015-01-01

This study describes microbial diversity in four tropical hot springs representing moderately thermophilic environments (temperature range: 40–58°C; pH: 7.2–7.4) with discrete geochemistry. Metagenome sequence data showed a dominance of Bacteria over Archaea; the most abundant phyla were Chloroflexi and Proteobacteria, although other phyla were also present, such as Acetothermia, Nitrospirae, Acidobacteria, Firmicutes, Deinococcus-Thermus, Bacteroidetes, Thermotogae, Euryarchaeota, Verrucomicrobia, Ignavibacteriae, Cyanobacteria, Actinobacteria, Planctomycetes, Spirochaetes, Armatimonadetes, Crenarchaeota, and Aquificae. The distribution of major genera and their statistical correlation analyses with the physicochemical parameters predicted that the temperature, aqueous concentrations of ions (such as sodium, chloride, sulfate, and bicarbonate), total hardness, dissolved solids and conductivity were the main environmental variables influencing microbial community composition and diversity. Despite the observed high taxonomic diversity, there were only little variations in the overall functional profiles of the microbial communities in the four springs. Genes involved in the metabolism of carbohydrates and carbon fixation were the most abundant functional class of genes present in these hot springs. The distribution of genes involved in carbon fixation predicted the presence of all the six known autotrophic pathways in the metagenomes. A high prevalence of genes involved in membrane transport, signal transduction, stress response, bacterial chemotaxis, and flagellar assembly were observed along with genes involved in the pathways of xenobiotic degradation and metabolism. The analysis of the metagenomic sequences affiliated to the candidate phylum Acetothermia from spring TB-3 provided new insight into the metabolism and physiology of yet-unknown members of this lineage of bacteria. PMID:26579081

Taxonomic and functional characteristics of microbial communities and their correlation with physicochemical properties of four geothermal springs in Odisha, India.

PubMed

Badhai, Jhasketan; Ghosh, Tarini S; Das, Subrata K

2015-01-01

This study describes microbial diversity in four tropical hot springs representing moderately thermophilic environments (temperature range: 40-58°C; pH: 7.2-7.4) with discrete geochemistry. Metagenome sequence data showed a dominance of Bacteria over Archaea; the most abundant phyla were Chloroflexi and Proteobacteria, although other phyla were also present, such as Acetothermia, Nitrospirae, Acidobacteria, Firmicutes, Deinococcus-Thermus, Bacteroidetes, Thermotogae, Euryarchaeota, Verrucomicrobia, Ignavibacteriae, Cyanobacteria, Actinobacteria, Planctomycetes, Spirochaetes, Armatimonadetes, Crenarchaeota, and Aquificae. The distribution of major genera and their statistical correlation analyses with the physicochemical parameters predicted that the temperature, aqueous concentrations of ions (such as sodium, chloride, sulfate, and bicarbonate), total hardness, dissolved solids and conductivity were the main environmental variables influencing microbial community composition and diversity. Despite the observed high taxonomic diversity, there were only little variations in the overall functional profiles of the microbial communities in the four springs. Genes involved in the metabolism of carbohydrates and carbon fixation were the most abundant functional class of genes present in these hot springs. The distribution of genes involved in carbon fixation predicted the presence of all the six known autotrophic pathways in the metagenomes. A high prevalence of genes involved in membrane transport, signal transduction, stress response, bacterial chemotaxis, and flagellar assembly were observed along with genes involved in the pathways of xenobiotic degradation and metabolism. The analysis of the metagenomic sequences affiliated to the candidate phylum Acetothermia from spring TB-3 provided new insight into the metabolism and physiology of yet-unknown members of this lineage of bacteria.

Pathobiology and genetics of neural tube defects.

PubMed

Finnell, Richard H; Gould, Amy; Spiegelstein, Ofer

2003-01-01

Neural tube defects (NTDs), including spina bifida and anencephaly, are common congenital malformations that occur when the neural tube fails to achieve proper closure during early embryogenesis. Based on epidemiological and clinical data obtained over the last few decades, it is apparent that these multifactorial defects have a significant genetic component to their etiology that interacts with specific environmental risk factors. The purpose of this review article is to synthesize the existing literature on the genetic factors contributing to NTD risk. To date, there is evidence that closure of the mammalian neural tube initiates and fuses intermittently at four discrete locations. Disruption of this process at any of these four sites may lead to an NTD, possibly arising through closure site-specific genetic mechanisms. Candidate genes involved in neural tube closure include genes of the folate metabolic pathway, as well as those involved in folate transport. Although extensive efforts have focused on elucidating the genetic risk factors contributing to the etiology of NTDs, the population burden for these malformations remains unknown. One group at high risk for having children with NTDs is epileptic women receiving antiepileptic medications during pregnancy. Efforts to better understand the genetic factors that may contribute to their heightened risk, as well as the pathogenesis of neural tube closure defects, are reviewed herein.

Mechanical environmental transport of actinides and ¹³⁷Cs from an arid radioactive waste disposal site

DOE PAGES

Snow, Mathew S.; Clark, Sue B.; Morrison, Samuel S.; ...

2015-10-01

Particulate transport represents an important mechanism for actinides and fission products at the Earth's surface; soil samples taken in the early 1970's near the Subsurface Disposal Area (SDA) at Idaho National Laboratory (INL) provide a case study for examining the mechanisms and characteristics of actinide transport under arid conditions. Transuranic waste was disposed via shallow land burial at the SDA until shortly after a flooding event that occurred in 1969. In this study we analyze soils collected in the early 1970's for ¹³⁷Cs, ²⁴¹Am, and Pu using a combination of radiometric and mass spectrometric techniques. Two distinct ²⁴⁰Pu/²³⁹Pu isotopic ratiosmore » are observed for contamination from the SDA, with values ranging from at least 0.059 to 0.069. ²⁴¹Am concentrations are observed to increase only slightly in 0-4 cm soils over the ~40 year period since soil sampling, contrary to Markham's previous hypothesis that ²⁴¹Pu is principally associated with the 0-4 cm soil fractions (Markham 1978). The lack of statistical difference in ²⁴¹Am/²³⁹⁺²⁴⁰Pu ratios with depth suggests mechanical transport and mixing discrete contaminated particles under arid conditions. Occasional samples beyond the northeastern corner are observed to contain anomalously high Pu concentrations with corresponding low ²⁴⁰Pu/²³⁹Pu atoms ratios, suggesting the occurrence of "hot particles;" application of a background Pu subtraction results in calculated Pu atom ratios for the "hot particles" which are statistically similar to those observed in the northeastern corner. Taken together, our data suggests that flooding resulted in mechanical transport of contaminated particles into the area between the SDA and the flood containment dike in the northeastern corner, following which subsequent contamination spreading resulted from wind transport of discrete particles.« less

Advancement in Watershed Modelling Using Dynamic Lateral and Longitudinal Sediment (Dis)connectivity Prediction

NASA Astrophysics Data System (ADS)

Mahoney, D. T.; al Aamery, N. M. H.; Fox, J.

2017-12-01

The authors find that sediment (dis)connectivity has seldom taken precedence within watershed models, and the present study advances this modeling framework and applies the modeling within a bedrock-controlled system. Sediment (dis)connectivity, defined as the detachment and transport of sediment from source to sink between geomorphic zones, is a major control on sediment transport. Given the availability of high resolution geospatial data, coupling sediment connectivity concepts within sediment prediction models offers an approach to simulate sediment sources and pathways within a watershed's sediment cascade. Bedrock controlled catchments are potentially unique due to the presence of rock outcrops causing longitudinal impedance to sediment transport pathways in turn impacting the longitudinal distribution of the energy gradient responsible for conveying sediment. Therefore, the authors were motivated by the need to formulate a sediment transport model that couples sediment (dis)connectivity knowledge to predict sediment flux for bedrock controlled catchments. A watershed-scale sediment transport model was formulated that incorporates sediment (dis)connectivity knowledge collected via field reconnaissance and predicts sediment flux through coupling with the Partheniades equation and sediment continuity model. Sediment (dis)connectivity was formulated by coupling probabilistic upland lateral connectivity prediction with instream longitudinal connectivity assessments via discretization of fluid and sediment pathways. Flux predictions from the upland lateral connectivity model served as an input to the instream longitudinal connectivity model. Disconnectivity in the instream model was simulated via the discretization of stream reaches due to barriers such as bedrock outcroppings and man-made check dams. The model was tested for a bedrock controlled catchment in Kentucky, USA for which extensive historic water and sediment flux data was available. Predicted sediment flux was validated via sediment flux measurements collected by the authors. Watershed configuration and the distribution of lateral and longitudinal impedances to sediment transport were found to have significant influence on sediment connectivity and thus sediment flux.

Mechanical environmental transport of actinides and ¹³⁷Cs from an arid radioactive waste disposal site

DOE Office of Scientific and Technical Information (OSTI.GOV)

Snow, Mathew S.; Clark, Sue B.; Morrison, Samuel S.

Particulate transport represents an important mechanism for actinides and fission products at the Earth's surface; soil samples taken in the early 1970's near the Subsurface Disposal Area (SDA) at Idaho National Laboratory (INL) provide a case study for examining the mechanisms and characteristics of actinide transport under arid conditions. Transuranic waste was disposed via shallow land burial at the SDA until shortly after a flooding event that occurred in 1969. In this study we analyze soils collected in the early 1970's for ¹³⁷Cs, ²⁴¹Am, and Pu using a combination of radiometric and mass spectrometric techniques. Two distinct ²⁴⁰Pu/²³⁹Pu isotopic ratiosmore » are observed for contamination from the SDA, with values ranging from at least 0.059 to 0.069. ²⁴¹Am concentrations are observed to increase only slightly in 0-4 cm soils over the ~40 year period since soil sampling, contrary to Markham's previous hypothesis that ²⁴¹Pu is principally associated with the 0-4 cm soil fractions (Markham 1978). The lack of statistical difference in ²⁴¹Am/²³⁹⁺²⁴⁰Pu ratios with depth suggests mechanical transport and mixing discrete contaminated particles under arid conditions. Occasional samples beyond the northeastern corner are observed to contain anomalously high Pu concentrations with corresponding low ²⁴⁰Pu/²³⁹Pu atoms ratios, suggesting the occurrence of "hot particles;" application of a background Pu subtraction results in calculated Pu atom ratios for the "hot particles" which are statistically similar to those observed in the northeastern corner. Taken together, our data suggests that flooding resulted in mechanical transport of contaminated particles into the area between the SDA and the flood containment dike in the northeastern corner, following which subsequent contamination spreading resulted from wind transport of discrete particles.« less

Quantum Dynamics in Continuum for Proton Transport I: Basic Formulation.

PubMed

Chen, Duan; Wei, Guo-Wei

2013-01-01

Proton transport is one of the most important and interesting phenomena in living cells. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins. We describe proton dynamics quantum mechanically via a density functional approach while implicitly model other solvent ions as a dielectric continuum to reduce the number of degrees of freedom. The densities of all other ions in the solvent are assumed to obey the Boltzmann distribution. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic level. We formulate a total free energy functional to put proton kinetic and potential energies as well as electrostatic energy of all ions on an equal footing. The variational principle is employed to derive nonlinear governing equations for the proton transport system. Generalized Poisson-Boltzmann equation and Kohn-Sham equation are obtained from the variational framework. Theoretical formulations for the proton density and proton conductance are constructed based on fundamental principles. The molecular surface of the channel protein is utilized to split the discrete protein domain and the continuum solvent domain, and facilitate the multiscale discrete/continuum/quantum descriptions. A number of mathematical algorithms, including the Dirichlet to Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov space techniques are utilized to implement the proposed model in a computationally efficient manner. The Gramicidin A (GA) channel is used to demonstrate the performance of the proposed proton transport model and validate the efficiency of proposed mathematical algorithms. The electrostatic characteristics of the GA channel is analyzed with a wide range of model parameters. The proton conductances are studied over a number of applied voltages and reference concentrations. A comparison with experimental data verifies the present model predictions and validates the proposed model.

An effective biometric discretization approach to extract highly discriminative, informative, and privacy-protective binary representation

NASA Astrophysics Data System (ADS)

Lim, Meng-Hui; Teoh, Andrew Beng Jin

2011-12-01

Biometric discretization derives a binary string for each user based on an ordered set of biometric features. This representative string ought to be discriminative, informative, and privacy protective when it is employed as a cryptographic key in various security applications upon error correction. However, it is commonly believed that satisfying the first and the second criteria simultaneously is not feasible, and a tradeoff between them is always definite. In this article, we propose an effective fixed bit allocation-based discretization approach which involves discriminative feature extraction, discriminative feature selection, unsupervised quantization (quantization that does not utilize class information), and linearly separable subcode (LSSC)-based encoding to fulfill all the ideal properties of a binary representation extracted for cryptographic applications. In addition, we examine a number of discriminative feature-selection measures for discretization and identify the proper way of setting an important feature-selection parameter. Encouraging experimental results vindicate the feasibility of our approach.

A pyramid scheme for three-dimensional diffusion equations on polyhedral meshes

NASA Astrophysics Data System (ADS)

Wang, Shuai; Hang, Xudeng; Yuan, Guangwei

2017-12-01

In this paper, a new cell-centered finite volume scheme is proposed for three-dimensional diffusion equations on polyhedral meshes, which is called as pyramid scheme (P-scheme). The scheme is designed for polyhedral cells with nonplanar cell-faces. The normal flux on a nonplanar cell-face is discretized on a planar face, which is determined by a simple optimization procedure. The resulted discrete form of the normal flux involves only cell-centered and cell-vertex unknowns, and is free from face-centered unknowns. In the case of hexahedral meshes with skewed nonplanar cell-faces, a quite simple expression is obtained for the discrete normal flux. Compared with the second order accurate O-scheme [31], the P-scheme is more robust and the discretization cost is reduced remarkably. Numerical results are presented to show the performance of the P-scheme on various kinds of distorted meshes. In particular, the P-scheme is shown to be second order accurate.

Discrete dynamic modeling of cellular signaling networks.

PubMed

Albert, Réka; Wang, Rui-Sheng

2009-01-01

Understanding signal transduction in cellular systems is a central issue in systems biology. Numerous experiments from different laboratories generate an abundance of individual components and causal interactions mediating environmental and developmental signals. However, for many signal transduction systems there is insufficient information on the overall structure and the molecular mechanisms involved in the signaling network. Moreover, lack of kinetic and temporal information makes it difficult to construct quantitative models of signal transduction pathways. Discrete dynamic modeling, combined with network analysis, provides an effective way to integrate fragmentary knowledge of regulatory interactions into a predictive mathematical model which is able to describe the time evolution of the system without the requirement for kinetic parameters. This chapter introduces the fundamental concepts of discrete dynamic modeling, particularly focusing on Boolean dynamic models. We describe this method step-by-step in the context of cellular signaling networks. Several variants of Boolean dynamic models including threshold Boolean networks and piecewise linear systems are also covered, followed by two examples of successful application of discrete dynamic modeling in cell biology.

Discrete-time stability of continuous-time controller designs for large space structures

NASA Technical Reports Server (NTRS)

Balas, M. J.

1982-01-01

In most of the stable control designs for flexible structures, continuous time is assumed. However, in view of the implementation of the controllers by on-line digital computers, the discrete-time stability of such controllers is an important consideration. In the case of direct-velocity feedback (DVFB), involving negative feedback from collocated force actuators and velocity sensors, it is not immediately apparent how much delay due to digital implementation of DVFB can be tolerated without loss of stability. The present investigation is concerned with such questions. A study is conducted of the discrete-time stability of DVFB, taking into account an employment of Euler's method of approximation of the time derivative. The obtained result gives an indication of the acceptable time-step size for stable digital implementation of DVFB. A result derived in connection with the consideration of the discrete-time stability of stable continuous-time systems provides a general condition under which digital implementation of such a system will remain stable.

A FFT-based formulation for efficient mechanical fields computation in isotropic and anisotropic periodic discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Bertin, N.; Upadhyay, M. V.; Pradalier, C.; Capolungo, L.

2015-09-01

In this paper, we propose a novel full-field approach based on the fast Fourier transform (FFT) technique to compute mechanical fields in periodic discrete dislocation dynamics (DDD) simulations for anisotropic materials: the DDD-FFT approach. By coupling the FFT-based approach to the discrete continuous model, the present approach benefits from the high computational efficiency of the FFT algorithm, while allowing for a discrete representation of dislocation lines. It is demonstrated that the computational time associated with the new DDD-FFT approach is significantly lower than that of current DDD approaches when large number of dislocation segments are involved for isotropic and anisotropic elasticity, respectively. Furthermore, for fine Fourier grids, the treatment of anisotropic elasticity comes at a similar computational cost to that of isotropic simulation. Thus, the proposed approach paves the way towards achieving scale transition from DDD to mesoscale plasticity, especially due to the method’s ability to incorporate inhomogeneous elasticity.

Electrostatic coupling of ion pumps.

PubMed

Nieto-Frausto, J; Lüger, P; Apell, H J

1992-01-01

In this paper the electrostatic interactions between membrane-embedded ion-pumps and their consequences for the kinetics of pump-mediated transport processes have been examined. We show that the time course of an intrinsically monomolecular transport reaction can become distinctly nonexponential, if the reaction is associated with charge translocation and takes place in an aggregate of pump molecules. First we consider the electrostatic coupling of a single dimer of ion-pumps embedded in the membrane. Then we apply the treatment to the kinetic analysis of light-driven proton transport by bacteriorhodopsin which forms two-dimensional hexagonal lattices. Finally, for the case of nonordered molecules, we also consider a model in which the pumps are randomly distributed over the nodes of a lattice. Here the average distance is equal to that deduced experimentally and the elemental size of the lattice is the effective diameter of one single pump. This latter model is applied to an aggregate of membrane-embedded Na, K- and Ca-pumps. In all these cases the electrostatic potential considered is the exact solution calculated from the method of electrical images for a plane membrane of finite thickness immersed in an infinite aqueous solution environment. The distributions of charges (ions or charged binding sites) are considered homogeneous or discrete in the membrane and/or in the external solution. In the case of discrete distributions we compare the results from a mean field approximation and a stochastic simulation.

MODELING TRANSPORT IN THE DOWN GRADIENT PORTION OF THE 200-PO-1 OPERABLE UNIT AT THE HANFORD SITE

DOE Office of Scientific and Technical Information (OSTI.GOV)

MEHTA S; ALY AH; MILLER CW

2009-12-03

Remedial Investigations are underway for the 200-PO-l Operable Unit (OU) at the U.S. Department of Energy's Hanford Site in Washington State. To support the baseline risk assessment and evaluation of remedial alternatives, fate and transport modeling is being conducted to predict the future concentration of contaminants of potential concern in the 200-PO-1 OU. This study focuses on modeling the 'down gradient' transport of those contaminants that migrate beyond the 3-D model domain selected for performing detailed 'source area' modeling within the 200-PO-1 OU. The down gradient portion is defined as that region of the 200-PO-1 OU that is generally outsidemore » the 200 Area (considered 'source area') of the Hanford Site. A 1-D transport model is developed for performing down gradient contaminant fate and transport modeling. The 1-D transport model is deemed adequate based on the inferred transport pathway of tritium in the past and the observation that most of the contaminant mass remains at or near the water table within the unconfined aquifer of the Hanford Formation and the Cold-Creek/Pre-Missoula Gravel unit. The Pipe Pathway feature of the GoldSim software is used to perform the calculations. The Pipe Pathway uses a Laplace transform approach to provide analytical solutions to a broad range of advection-dominated mass transport systems involving one-dimensional advection, longitudinal dispersion, retardation, decay and ingrowth, and exchanges with immobile storage zones. Based on the historical concentration distribution data for the extensive tritium plume in this area, three Pipe Pathways are deemed adequate for modeling transport of contaminants. Each of these three Pipe Pathways is discretized into several zones, based on the saturated thickness variation in the unconfined aquifer and the location of monitoring wells used for risk assessment calculation. The mass fluxes of contaminants predicted to exit the source area model domain are used as an input to the down gradient model, while the flow velocities applied are based on the present-day hydraulic gradients and estimation of hydraulic conductivity in the unconfined aquifer. The results of the calculation indicate that the future concentrations of contaminants of potential concern in the down gradient portion of the 200-PO-1 OU declines with time and distance.« less

Tracking vortices in superconductors: Extracting singularities from a discretized complex scalar field evolving in time

DOE PAGES

Phillips, Carolyn L.; Guo, Hanqi; Peterka, Tom; ...

2016-02-19

In type-II superconductors, the dynamics of magnetic flux vortices determine their transport properties. In the Ginzburg-Landau theory, vortices correspond to topological defects in the complex order parameter field. Earlier, we introduced a method for extracting vortices from the discretized complex order parameter field generated by a large-scale simulation of vortex matter. With this method, at a fixed time step, each vortex [simplistically, a one-dimensional (1D) curve in 3D space] can be represented as a connected graph extracted from the discretized field. Here we extend this method as a function of time as well. A vortex now corresponds to a 2Dmore » space-time sheet embedded in 4D space time that can be represented as a connected graph extracted from the discretized field over both space and time. Vortices that interact by merging or splitting correspond to disappearance and appearance of holes in the connected graph in the time direction. This method of tracking vortices, which makes no assumptions about the scale or behavior of the vortices, can track the vortices with a resolution as good as the discretization of the temporally evolving complex scalar field. In addition, even details of the trajectory between time steps can be reconstructed from the connected graph. With this form of vortex tracking, the details of vortex dynamics in a model of a superconducting materials can be understood in greater detail than previously possible.« less

The hippocampus and appetitive Pavlovian conditioning: effects of excitotoxic hippocampal lesions on conditioned locomotor activity and autoshaping.

PubMed

Ito, Rutsuko; Everitt, Barry J; Robbins, Trevor W

2005-01-01

The hippocampus (HPC) is known to be critically involved in the formation of associations between contextual/spatial stimuli and behaviorally significant events, playing a pivotal role in learning and memory. However, increasing evidence indicates that the HPC is also essential for more basic motivational processes. The amygdala, by contrast, is important for learning about the motivational significance of discrete cues. This study investigated the effects of excitotoxic lesions of the rat HPC and the basolateral amygdala (BLA) on the acquisition of a number of appetitive behaviors known to be dependent on the formation of Pavlovian associations between a reward (food) and discrete stimuli or contexts: (1) conditioned/anticipatory locomotor activity to food delivered in a specific context and (2) autoshaping, where rats learn to show conditioned discriminated approach to a discrete visual CS+. While BLA lesions had minimal effects on conditioned locomotor activity, hippocampal lesions facilitated the development of both conditioned activity to food and autoshaping behavior, suggesting that hippocampal lesions may have increased the incentive motivational properties of food and associated conditioned stimuli, consistent with the hypothesis that the HPC is involved in inhibitory processes in appetitive conditioning. (c) 2005 Wiley-Liss, Inc.

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.

25 CFR 170.941 - May tribes become involved in transportation research?

Code of Federal Regulations, 2010 CFR

2010-04-01

... tribes become involved in transportation research? Yes. Tribes may: (a) Participate in Transportation Research Board meetings, committees, and workshops sponsored by the National Science Foundation; (b... 25 Indians 1 2010-04-01 2010-04-01 false May tribes become involved in transportation research...

25 CFR 170.941 - May tribes become involved in transportation research?

Code of Federal Regulations, 2011 CFR

2011-04-01

... tribes become involved in transportation research? Yes. Tribes may: (a) Participate in Transportation Research Board meetings, committees, and workshops sponsored by the National Science Foundation; (b... 25 Indians 1 2011-04-01 2011-04-01 false May tribes become involved in transportation research...

A fast direct solver for boundary value problems on locally perturbed geometries

NASA Astrophysics Data System (ADS)

Zhang, Yabin; Gillman, Adrianna

2018-03-01

Many applications including optimal design and adaptive discretization techniques involve solving several boundary value problems on geometries that are local perturbations of an original geometry. This manuscript presents a fast direct solver for boundary value problems that are recast as boundary integral equations. The idea is to write the discretized boundary integral equation on a new geometry as a low rank update to the discretized problem on the original geometry. Using the Sherman-Morrison formula, the inverse can be expressed in terms of the inverse of the original system applied to the low rank factors and the right hand side. Numerical results illustrate for problems where perturbation is localized the fast direct solver is three times faster than building a new solver from scratch.

Directed self-assembly of proteins into discrete radial patterns

PubMed Central

Thakur, Garima; Prashanthi, Kovur; Thundat, Thomas

2013-01-01

Unlike physical patterning of materials at nanometer scale, manipulating soft matter such as biomolecules into patterns is still in its infancy. Self-assembled monolayer (SAM) with surface density gradient has the capability to drive biomolecules in specific directions to create hierarchical and discrete structures. Here, we report on a two-step process of self-assembly of the human serum albumin (HSA) protein into discrete ring structures based on density gradient of SAM. The methodology involves first creating a 2-dimensional (2D) polyethylene glycol (PEG) islands with responsive carboxyl functionalities. Incubation of proteins on such pre-patterned surfaces results in direct self-assembly of protein molecules around PEG islands. Immobilization and adsorption of protein on such structures over time evolve into the self-assembled patterns. PMID:23719678

Impact of Discrete Corrections in a Modular Approach for Trajectory Generation in Quadruped Robots

NASA Astrophysics Data System (ADS)

Pinto, Carla M. A.; Santos, Cristina P.; Rocha, Diana; Matos, Vítor

2011-09-01

Online generation of trajectories in robots is a very complex task that involves the combination of different types of movements, i.e., distinct motor primitives. The later are used to model complex behaviors in robots, such as locomotion in irregular terrain and obstacle avoidance. In this paper, we consider two motor primitives: rhythmic and discrete. We study the effect on the robots' gaits of superimposing the two motor primitives, considering two distinct types of coupling. Additionally, we simulate two scenarios, where the discrete primitive is inserted in all of the four limbs, or is inserted in ipsilateral pairs of limbs. Numerical results show that amplitude and frequency of the periodic solutions, corresponding to the gaits trot and pace, are almost constant for diffusive and synaptic couplings.

A new multiscale air quality transport model (Fluidity, 4.1.9) using fully unstructured anisotropic adaptive mesh technology

NASA Astrophysics Data System (ADS)

Zheng, J.; Zhu, J.; Wang, Z.; Fang, F.; Pain, C. C.; Xiang, J.

2015-06-01

A new anisotropic hr-adaptive mesh technique has been applied to modelling of multiscale transport phenomena, which is based on a discontinuous Galerkin/control volume discretization on unstructured meshes. Over existing air quality models typically based on static-structured grids using a locally nesting technique, the advantage of the anisotropic hr-adaptive model has the ability to adapt the mesh according to the evolving pollutant distribution and flow features. That is, the mesh resolution can be adjusted dynamically to simulate the pollutant transport process accurately and effectively. To illustrate the capability of the anisotropic adaptive unstructured mesh model, three benchmark numerical experiments have been setup for two-dimensional (2-D) transport phenomena. Comparisons have been made between the results obtained using uniform resolution meshes and anisotropic adaptive resolution meshes.

Electronically Transparent Au-N Bonds for Molecular Junctions.

PubMed

Zang, Yaping; Pinkard, Andrew; Liu, Zhen-Fei; Neaton, Jeffrey B; Steigerwald, Michael L; Roy, Xavier; Venkataraman, Latha

2017-10-25

We report a series of single-molecule transport measurements carried out in an ionic environment with oligophenylenediamine wires. These molecules exhibit three discrete conducting states accessed by electrochemically modifying the contacts. Transport in these junctions is defined by the oligophenylene backbone, but the conductance is increased by factors of ∼20 and ∼400 when compared to traditional dative junctions. We propose that the higher-conducting states arise from in situ electrochemical conversion of the dative Au←N bond into a new type of Au-N contact. Density functional theory-based transport calculations establish that the new contacts dramatically increase the electronic coupling of the oligophenylene backbone to the Au electrodes, consistent with experimental transport data. The resulting contact resistance is the lowest reported to date; more generally, our work demonstrates a facile method for creating electronically transparent metal-organic interfaces.

Increasing of horizontal velocity of particles leaving a belt conveyor

NASA Astrophysics Data System (ADS)

Tavares, Abraão; Faria, Allbens

2017-06-01

We investigate the transport of granular materials by a conveyor belt via numerical simulations. We report an unusual increasing of particles horizontal velocity when they leave the belt and initiate free-fall. Using Discrete Elements Method, the mechanism underlying this phenomenon were investigated, and a study on how particle and system properties influences this effect were conducted.

Robustness of Radiomic Features in [11C]Choline and [18F]FDG PET/CT Imaging of Nasopharyngeal Carcinoma: Impact of Segmentation and Discretization.

PubMed

Lu, Lijun; Lv, Wenbing; Jiang, Jun; Ma, Jianhua; Feng, Qianjin; Rahmim, Arman; Chen, Wufan

2016-12-01

Radiomic features are increasingly utilized to evaluate tumor heterogeneity in PET imaging and to enable enhanced prediction of therapy response and outcome. An important ingredient to success in translation of radiomic features to clinical reality is to quantify and ascertain their robustness. In the present work, we studied the impact of segmentation and discretization on 88 radiomic features in 2-deoxy-2-[ 18 F]fluoro-D-glucose ([ 18 F]FDG) and [ 11 C]methyl-choline ([ 11 C]choline) positron emission tomography/X-ray computed tomography (PET/CT) imaging of nasopharyngeal carcinoma. Forty patients underwent [ 18 F]FDG PET/CT scans. Of these, nine patients were imaged on a different day utilizing [ 11 C]choline PET/CT. Tumors were delineated using reference manual segmentation by the consensus of three expert physicians, using 41, 50, and 70 % maximum standardized uptake value (SUV max ) threshold with background correction, Nestle's method, and watershed and region growing methods, and then discretized with fixed bin size (0.05, 0.1, 0.2, 0.5, and 1) in units of SUV. A total of 88 features, including 21 first-order intensity features, 10 shape features, and 57 second- and higher-order textural features, were extracted from the tumors. The robustness of the features was evaluated via the intraclass correlation coefficient (ICC) for seven kinds of segmentation methods (involving all 88 features) and five kinds of discretization bin size (involving the 57 second- and higher-order features). Forty-four (50 %) and 55 (63 %) features depicted ICC ≥0.8 with respect to segmentation as obtained from [ 18 F]FDG and [ 11 C]choline, respectively. Thirteen (23 %) and 12 (21 %) features showed ICC ≥0.8 with respect to discretization as obtained from [ 18 F]FDG and [ 11 C]choline, respectively. Six features were obtained from both [ 18 F]FDG and [ 11 C]choline having ICC ≥0.8 for both segmentation and discretization, five of which were gray-level co-occurrence matrix (GLCM) features (SumEntropy, Entropy, DifEntropy, Homogeneity1, and Homogeneity2) and one of which was an neighborhood gray-tone different matrix (NGTDM) feature (Coarseness). Discretization generated larger effects on features than segmentation in both tracers. Features extracted from [ 11 C]choline were more robust than [ 18 F]FDG for segmentation. Discretization had very similar effects on features extracted from both tracers.

Vertical discretization with finite elements for a global hydrostatic model on the cubed sphere

NASA Astrophysics Data System (ADS)

Yi, Tae-Hyeong; Park, Ja-Rin

2017-06-01

A formulation of Galerkin finite element with basis-spline functions on a hybrid sigma-pressure coordinate is presented to discretize the vertical terms of global Eulerian hydrostatic equations employed in a numerical weather prediction system, which is horizontally discretized with high-order spectral elements on a cubed sphere grid. This replaces the vertical discretization of conventional central finite difference that is first-order accurate in non-uniform grids and causes numerical instability in advection-dominant flows. Therefore, a model remains in the framework of Galerkin finite elements for both the horizontal and vertical spatial terms. The basis-spline functions, obtained from the de-Boor algorithm, are employed to derive both the vertical derivative and integral operators, since Eulerian advection terms are involved. These operators are used to discretize the vertical terms of the prognostic and diagnostic equations. To verify the vertical discretization schemes and compare their performance, various two- and three-dimensional idealized cases and a hindcast case with full physics are performed in terms of accuracy and stability. It was shown that the vertical finite element with the cubic basis-spline function is more accurate and stable than that of the vertical finite difference, as indicated by faster residual convergence, fewer statistical errors, and reduction in computational mode. This leads to the general conclusion that the overall performance of a global hydrostatic model might be significantly improved with the vertical finite element.

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

NASA Astrophysics Data System (ADS)

Duong, M. H.; Muntean, A.; Richardson, O. M.

2017-07-01

We are interested in exploring interacting particle systems that can be seen as microscopic models for a particular structure of coupled transport flux arising when different populations are jointly evolving. The scenarios we have in mind are inspired by the dynamics of pedestrian flows in open spaces and are intimately connected to cross-diffusion and thermo-diffusion problems holding a variational structure. The tools we use include a suitable structure of the relative entropy controlling TV-norms, the construction of Lyapunov functionals and particular closed-form solutions to nonlinear transport equations, a hydrodynamics limiting procedure due to Philipowski, as well as the construction of numerical approximates to both the continuum limit problem in 2D and to the original interacting particle systems.

Breast Cancer Knowledge, Behaviors, and Preferences in Malawi: Implications for Early Detection Interventions From a Discrete Choice Experiment.

PubMed

Kohler, Racquel E; Gopal, Satish; Lee, Clara N; Weiner, Bryan J; Reeve, Bryce B; Wheeler, Stephanie B

2017-10-01

Breast cancer is the most common female cancer in Africa and leading cause of death resulting from cancer; however, many countries lack early detection services. In Malawi, women are frequently diagnosed with large tumors after long symptomatic periods. Little is known about local cancer knowledge. We administered a cross-sectional survey with a discrete choice experiment to a random sample in urban and rural areas of Lilongwe district. Bivariable and multivariable analyses determined factors associated with knowledge. Preference utilities for early detection interventions were estimated using a hierarchical Bayesian model in Sawtooth software. Of 213 women recruited, fewer than half were aware of breast cancer. In multivariable analysis, electricity at home and knowing someone with cancer increased the odds of awareness. Women were more knowledgeable about symptoms than treatment or risk factors; more than 60% erroneously believed local misconceptions. Seventeen percent were aware of breast self-examination, and 20% were aware of clinical breast examination (CBE); few reported either behavior. Common barriers included not knowing where to access CBE and transportation difficulties. Discrete choice experiment results indicated the detection strategy (breast health awareness, CBE, or both) was the most important attribute of an intervention, followed by the encounter setting and travel time. Addressing misconceptions in health messages and engaging survivors to promote early detection may help improve breast cancer knowledge in Malawi. Program designs accounting for women's preferences should provide breast health education and CBEs in convenient settings to address transportation barriers, particularly for women with low socioeconomic position.

Breast Cancer Knowledge, Behaviors, and Preferences in Malawi: Implications for Early Detection Interventions From a Discrete Choice Experiment

PubMed Central

Gopal, Satish; Lee, Clara N.; Weiner, Bryan J.; Reeve, Bryce B.; Wheeler, Stephanie B.

2017-01-01

Purpose Breast cancer is the most common female cancer in Africa and leading cause of death resulting from cancer; however, many countries lack early detection services. In Malawi, women are frequently diagnosed with large tumors after long symptomatic periods. Little is known about local cancer knowledge. Methods We administered a cross-sectional survey with a discrete choice experiment to a random sample in urban and rural areas of Lilongwe district. Bivariable and multivariable analyses determined factors associated with knowledge. Preference utilities for early detection interventions were estimated using a hierarchical Bayesian model in Sawtooth software. Results Of 213 women recruited, fewer than half were aware of breast cancer. In multivariable analysis, electricity at home and knowing someone with cancer increased the odds of awareness. Women were more knowledgeable about symptoms than treatment or risk factors; more than 60% erroneously believed local misconceptions. Seventeen percent were aware of breast self-examination, and 20% were aware of clinical breast examination (CBE); few reported either behavior. Common barriers included not knowing where to access CBE and transportation difficulties. Discrete choice experiment results indicated the detection strategy (breast health awareness, CBE, or both) was the most important attribute of an intervention, followed by the encounter setting and travel time. Conclusion Addressing misconceptions in health messages and engaging survivors to promote early detection may help improve breast cancer knowledge in Malawi. Program designs accounting for women’s preferences should provide breast health education and CBEs in convenient settings to address transportation barriers, particularly for women with low socioeconomic position. PMID:29094086

BRYNTRN: A baryon transport model

NASA Technical Reports Server (NTRS)

Wilson, John W.; Townsend, Lawrence W.; Nealy, John E.; Chun, Sang Y.; Hong, B. S.; Buck, Warren W.; Lamkin, S. L.; Ganapol, Barry D.; Khan, Ferdous; Cucinotta, Francis A.

1989-01-01

The development of an interaction data base and a numerical solution to the transport of baryons through an arbitrary shield material based on a straight ahead approximation of the Boltzmann equation are described. The code is most accurate for continuous energy boundary values, but gives reasonable results for discrete spectra at the boundary using even a relatively coarse energy grid (30 points) and large spatial increments (1 cm in H2O). The resulting computer code is self-contained, efficient and ready to use. The code requires only a very small fraction of the computer resources required for Monte Carlo codes.

Numerical computation of diffusion on a surface.

PubMed

Schwartz, Peter; Adalsteinsson, David; Colella, Phillip; Arkin, Adam Paul; Onsum, Matthew

2005-08-09

We present a numerical method for computing diffusive transport on a surface derived from image data. Our underlying discretization method uses a Cartesian grid embedded boundary method for computing the volume transport in a region consisting of all points a small distance from the surface. We obtain a representation of this region from image data by using a front propagation computation based on level set methods for solving the Hamilton-Jacobi and eikonal equations. We demonstrate that the method is second-order accurate in space and time and is capable of computing solutions on complex surface geometries obtained from image data of cells.

Image-based modeling of flow and reactive transport in porous media

NASA Astrophysics Data System (ADS)

Qin, Chao-Zhong; Hoang, Tuong; Verhoosel, Clemens V.; Harald van Brummelen, E.; Wijshoff, Herman M. A.

2017-04-01

Due to the availability of powerful computational resources and high-resolution acquisition of material structures, image-based modeling has become an important tool in studying pore-scale flow and transport processes in porous media [Scheibe et al., 2015]. It is also playing an important role in the upscaling study for developing macroscale porous media models. Usually, the pore structure of a porous medium is directly discretized by the voxels obtained from visualization techniques (e.g. micro CT scanning), which can avoid the complex generation of computational mesh. However, this discretization may considerably overestimate the interfacial areas between solid walls and pore spaces. As a result, it could impact the numerical predictions of reactive transport and immiscible two-phase flow. In this work, two types of image-based models are used to study single-phase flow and reactive transport in a porous medium of sintered glass beads. One model is from a well-established voxel-based simulation tool. The other is based on the mixed isogeometric finite cell method [Hoang et al., 2016], which has been implemented in the open source Nutils (http://www.nutils.org). The finite cell method can be used in combination with isogeometric analysis to enable the higher-order discretization of problems on complex volumetric domains. A particularly interesting application of this immersed simulation technique is image-based analysis, where the geometry is smoothly approximated by segmentation of a B-spline level set approximation of scan data [Verhoosel et al., 2015]. Through a number of case studies by the two models, we will show the advantages and disadvantages of each model in modeling single-phase flow and reactive transport in porous media. Particularly, we will highlight the importance of preserving high-resolution interfaces between solid walls and pore spaces in image-based modeling of porous media. References Hoang, T., C. V. Verhoosel, F. Auricchio, E. H. van Brummelen, and A. Reali (2016), Mixed Isogeometric Finite Cell Methods for the Stokes problem, Computer Methods in Applied Mechanics and Engineering, doi:10.1016/j.cma.2016.07.027. Scheibe, T. D., W. A. Perkins, M. C. Richmond, M. I. McKinley, P. D. J. Romero-Gomez, M. Oostrom, T. W. Wietsma, J. A. Serkowski, and J. M. Zachara (2015), Pore-scale and multiscale numerical simulation of flow and transport in a laboratory-scale column, Water Resources Research, 51(2), 1023-1035, doi:10.1002/2014WR015959. Verhoosel, C. V., G. J. van Zwieten, B. van Rietbergen, and R. de Borst (2015), Image-based goal-oriented adaptive isogeometric analysis with application to the micro-mechanical modeling of trabecular bone, Computer Methods in Applied Mechanics and Engineering, 284(February), 138-164, doi:10.1016/j.cma.2014.07.009.

Control of force during rapid visuomotor force-matching tasks can be described by discrete time PID control algorithms.

PubMed

Dideriksen, Jakob Lund; Feeney, Daniel F; Almuklass, Awad M; Enoka, Roger M

2017-08-01

Force trajectories during isometric force-matching tasks involving isometric contractions vary substantially across individuals. In this study, we investigated if this variability can be explained by discrete time proportional, integral, derivative (PID) control algorithms with varying model parameters. To this end, we analyzed the pinch force trajectories of 24 subjects performing two rapid force-matching tasks with visual feedback. Both tasks involved isometric contractions to a target force of 10% maximal voluntary contraction. One task involved a single action (pinch) and the other required a double action (concurrent pinch and wrist extension). 50,000 force trajectories were simulated with a computational neuromuscular model whose input was determined by a PID controller with different PID gains and frequencies at which the controller adjusted muscle commands. The goal was to find the best match between each experimental force trajectory and all simulated trajectories. It was possible to identify one realization of the PID controller that matched the experimental force produced during each task for most subjects (average index of similarity: 0.87 ± 0.12; 1 = perfect similarity). The similarities for both tasks were significantly greater than that would be expected by chance (single action: p = 0.01; double action: p = 0.04). Furthermore, the identified control frequencies in the simulated PID controller with the greatest similarities decreased as task difficulty increased (single action: 4.0 ± 1.8 Hz; double action: 3.1 ± 1.3 Hz). Overall, the results indicate that discrete time PID controllers are realistic models for the neural control of force in rapid force-matching tasks involving isometric contractions.

Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface.

PubMed

Chen, Duan; Chen, Zhan; Wei, Guo-Wei

2012-01-01

Proton transport plays an important role in biological energy transduction and sensory systems. Therefore, it has attracted much attention in biological science and biomedical engineering in the past few decades. The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in transmembrane proteins involving continuum, atomic, and quantum descriptions, assisted with the evolution, formation, and visualization of membrane channel surfaces. We describe proton dynamics quantum mechanically via a new density functional theory based on the Boltzmann statistics, while implicitly model numerous solvent molecules as a dielectric continuum to reduce the number of degrees of freedom. The density of all other ions in the solvent is assumed to obey the Boltzmann distribution in a dynamic manner. The impact of protein molecular structure and its charge polarization on the proton transport is considered explicitly at the atomic scale. A variational solute-solvent interface is designed to separate the explicit molecule and implicit solvent regions. We formulate a total free-energy functional to put proton kinetic and potential energies, the free energy of all other ions, and the polar and nonpolar energies of the whole system on an equal footing. The variational principle is employed to derive coupled governing equations for the proton transport system. Generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation, and generalized Kohn-Sham equation are obtained from the present variational framework. The variational solvent-solute interface is generated and visualized to facilitate the multiscale discrete/continuum/quantum descriptions. Theoretical formulations for the proton density and conductance are constructed based on fundamental laws of physics. A number of mathematical algorithms, including the Dirichlet-to-Neumann mapping, matched interface and boundary method, Gummel iteration, and Krylov space techniques are utilized to implement the proposed model in a computationally efficient manner. The gramicidin A channel is used to validate the performance of the proposed proton transport model and demonstrate the efficiency of the proposed mathematical algorithms. The proton channel conductances are studied over a number of applied voltages and reference concentrations. A comparison with experimental data verifies the present model predictions and confirms the proposed model. Copyright © 2011 John Wiley & Sons, Ltd.

Dispersion-relation phase spectroscopy of neuron transport

NASA Astrophysics Data System (ADS)

Wang, Ru; Wang, Zhuo; Millet, Larry; Gillette, Martha; Leigh, Joseph Robert; Sobh, Nahil; Levine, Alex; Popescu, Gabreil

2012-02-01

Molecular motors move materials along prescribed biopolymer tracks. This sort of active transport is required to rapidly move products over large distances within the cell, where passive diffusion is too slow. We examine intracellular traffic patterns using a new application of spatial light interference microscopy (SLIM) and measure the dispersion relation, i.e. decay rate vs. spatial mode, associated with mass transport in live cells. This approach applies equally well to both discrete and continuous mass distributions without the need for particle tracking. From the quadratic experimental curve specific to diffusion, we extracted the diffusion coefficient as the only fitting parameter. The linear portion of the dispersion relation reveals the deterministic component of the intracellular transport. Our data show a universal behavior where the intracellular transport is diffusive at small scales and deterministic at large scales. We further applied this method to studying transport in neurons and are able to use SLIM to map the changes in index of refraction across the neuron and its extended processes. We found that in dendrites and axons, the transport is mostly active, i.e., diffusion is subdominant.

25 CFR 170.941 - May tribes become involved in transportation research?

Code of Federal Regulations, 2012 CFR

2012-04-01

... involved in transportation research? Yes. Tribes may: (a) Participate in Transportation Research Board... proposals in their IRRTIPS; (e) Access Transportation Research Information System Network (TRISNET) database...

Subcontinuum thermal transport in tip-based thermal engineering

NASA Astrophysics Data System (ADS)

Hamian, Sina

For the past two decades, tip-based thermal engineering has made remarkable advances to realize unprecedented nanoscale thermal applications, such as thermomechanical data storage, thermophysical/chemical property characterization of materials in nanometer scale, and scanning thermal imaging and analysis. All these applications involve localized heating with elevated temperature, generally in the order of mean free paths of heat carriers, thus necessitates fundamental understanding of sub-continuum thermal transport across point constrictions and within thin films. Considering the demands, this dissertation is divided into three main scopes providing: (1) a numerical model that provides insight onto nanoscale thermal transport, (2) an electrothermal characterization of a heated microcantilever as a localized heating source, and (3) qualitative measurement of tip-substrate thermal transport using high resolution nanothermometer/heater. This dissertation starts with a literature review on the three aforementioned scopes followed by a numerical model for two-dimensional transient ballistic-diffusive heat transfer combining finite element analysis with discrete ordinate method (DOM-FEA), seeking to provide insight on subcontinuum thermal transport. The phonon Boltzmann transport equation (BTE) under grey relaxation time approximation is solved for different Knudsen numbers. Next, a thermal microcantilever, as one of the main tools in tip-based thermal engineering, is characterized under periodic heating operation in air and vacuum using 3o technique. A three-dimensional FEA simulation of a thermal microcantilever is used to model heat transfer in frequency domain resulting in good agreement with the experiment. Next, quantitative thermal transport is measured by a home-built nanothermometer fabricated using combination of electron-beam lithography and photolithography. An atomic force microscope (AFM) cantilever is used to scan over the sensing probe of the nanothermometer at an elevated temperature causing local cooling. The experiment is done in air resulting in a tip-substrate effective thermal conductance of 32.5 nW/K followed by theoretical calculations predicting contribution of solid-solid thermal conduction to be 48%. Finally, the same experiment is conducted in vacuum with similar operating condition, showing 50% contribution of solid-solid conductance, which is in good agreement with the theory, assuming no water meniscus in vacuum condition. The outcomes of these studies provide a strong platform to fundamentally understand thermal transport at the micro/nanometer scale.

Only adding stationary storage to vaccine supply chains may create and worsen transport bottlenecks.

PubMed

Haidari, Leila A; Connor, Diana L; Wateska, Angela R; Brown, Shawn T; Mueller, Leslie E; Norman, Bryan A; Schmitz, Michelle M; Paul, Proma; Rajgopal, Jayant; Welling, Joel S; Leonard, Jim; Claypool, Erin G; Weng, Yu-Ting; Chen, Sheng-I; Lee, Bruce Y

2013-01-01

Although vaccine supply chains in many countries require additional stationary storage and transport capacity to meet current and future needs, international donors tend to donate stationary storage devices far more often than transport equipment. To investigate the impact of only adding stationary storage equipment on the capacity requirements of transport devices and vehicles, we used HERMES (Highly Extensible Resource for Modeling Supply Chains) to construct a discrete event simulation model of the Niger vaccine supply chain. We measured the transport capacity requirement for each mode of transport used in the Niger vaccine cold chain, both before and after adding cold rooms and refrigerators to relieve all stationary storage constraints in the system. With the addition of necessary stationary storage, the average transport capacity requirement increased from 88% to 144% for cold trucks, from 101% to 197% for pickup trucks, and from 366% to 420% for vaccine carriers. Therefore, adding stationary storage alone may worsen or create new transport bottlenecks as more vaccines flow through the system, preventing many vaccines from reaching their target populations. Dynamic modeling can reveal such relationships between stationary storage capacity and transport constraints.

Only Adding Stationary Storage to Vaccine Supply Chains May Create and Worsen Transport Bottlenecks

PubMed Central

Haidari, Leila A.; Connor, Diana L.; Wateska, Angela R.; Brown, Shawn T.; Mueller, Leslie E.; Norman, Bryan A.; Schmitz, Michelle M.; Paul, Proma; Rajgopal, Jayant; Welling, Joel S.; Leonard, Jim; Claypool, Erin G.; Weng, Yu-Ting; Chen, Sheng-I; Lee, Bruce Y.

2015-01-01

Although vaccine supply chains in many countries require additional stationary storage and transport capacity to meet current and future needs, international donors tend to donate stationary storage devices far more often than transport equipment. To investigate the impact of only adding stationary storage equipment on the capacity requirements of transport devices and vehicles, we used HERMES (Highly Extensible Resource for Modeling Supply Chains) to construct a discrete event simulation model of the Niger vaccine supply chain. We measured the transport capacity requirement for each mode of transport used in the Niger vaccine cold chain, both before and after adding cold rooms and refrigerators to relieve all stationary storage constraints in the system. With the addition of necessary stationary storage, the average transport capacity requirement increased from 88% to 144% for cold trucks, from 101% to 197% for pickup trucks, and from 366% to 420% for vaccine carriers. Therefore, adding stationary storage alone may worsen or create new transport bottlenecks as more vaccines flow through the system, preventing many vaccines from reaching their target populations. Dynamic modeling can reveal such relationships between stationary storage capacity and transport constraints. PMID:23903398

Structured Discretion, Racial Bias, and the Death Penalty: The First Decade after "Furman" in Texas.

ERIC Educational Resources Information Center

Ekland-Olson, Sheldon

1988-01-01

Analyzes data collected in Texas from the first decade of cases sentenced to death after the Furman v. Georgia decision in order to determine any tendency toward being race-linked or victim-based. Found that cases involving White victims more often precipitate the death penalty than those involving Black or Hispanic victims. (KO)

Prediction of bedload sediment transport for heterogeneous sediments in shape

NASA Astrophysics Data System (ADS)

Durafour, Marine; Jarno, Armelle; Le Bot, Sophie; Lafite, Robert; Marin, François

2015-04-01

Key words: Particle shape, in-situ measurements, bedload transport, heterogeneous sediments Bedload sediment transport in the coastal area is a dynamic process mainly influenced by the type of hydrodynamic forcings involved (current and/or waves), the flow properties (velocity, viscosity, depth) and sediment heterogeneity (particle size, density, shape). Although particle shape is recognized to be a significant factor in the hydrodynamic behavior of grains, this parameter is not currently implemented in bedload transport formulations: firstly because the mechanisms of initiation of motion according to particle shape are still not fully understood, and secondly due to the difficulties in defining common shape parameters. In March 2011, a large panel of in-situ instruments was deployed on two sites in the Eastern English Channel, during the sea campaign MESFLUX11. Samples of the sediment cover available for transport are collected, during a slack period, per 2cm thick strata by divers and by using a Shipeck grab. Bedload discharges along a tidal cycle are also collected with a Delft Nile Sampler (DNS; Gaweesh and Van Rijn, 1992, 1994) on both sites. The first one is characterized by a sandy bed with a low size dispersion, while the other study area implies graded sediments from fine sands to granules. A detailed analysis of the data is performed to follow the evolution of in-situ bedload fluxes on the seabed for a single current. In-situ measurements are compared to existing formulations according to a single fraction approach, using the median diameter of the mixture, and a fractionwise approach, involving a discretization of the grading curve. Results emphasize the interest to oscillate between these two methods according to the dispersion in size of the site considered. The need to apply a hiding/exposure coefficient (Egiazaroff, 1965) and a hindrance factor (Kleinhans and Van Rijn, 2002) for size heterogeneous sediments is also clearly highlighted. A really good agreement is found for the non-uniform site between measured fluxes and predictions given by the Wu et al. (2000) model. However, some discrepancies still remain, especially for granules. Hundreds of pictures of grains composing the sediment cover and the bedload discharges are performed. Particle shapes are statistically characterized by three 2D coefficients (circularity, roundness and elongation) after an image processing with the ImageJ software. Present results show a preferential transport of the most circular sediment particles available for transport and reveal that the consideration of particle shape, through the integration of the circularity index in formulations, enhanced the estimations of bedload rates. A new adjustment of the Wu et al. (2000) formula is proposed, which improves significantly the model predictions, especially for granules. Durafour M, Jarno A, Le Bot S, Lafite R, Marin F (2014) Bedload transport for heterogeneous sediments. Environmental Fluid Mechanics. doi: 10.1007/s10652-014-9380-1

An assessment of the Virginia Department of Transportation's public involvement processes : Phase I results.

DOT National Transportation Integrated Search

1999-01-01

Citizens have higher expectations for meaningful involvement in transportation decision making than ever before. Interest in an assessment of the Virginia Department of Transportation's (VDOT's) public involvement practices has originated from severa...

Strategies for Estimating Discrete Quantities.

ERIC Educational Resources Information Center

Crites, Terry W.

1993-01-01

Describes the benchmark and decomposition-recomposition estimation strategies and presents five techniques to develop students' estimation ability. Suggests situations involving quantities of candy and popcorn in which the teacher can model those strategies for the students. (MDH)

15 CFR 715.4 - Deadlines for submitting UDOC declarations, No Changes Authorization Forms, Change in Inspection...

Code of Federal Regulations, 2013 CFR

2013-01-01

... OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.4 Deadlines for submitting UDOC declarations...

15 CFR 715.4 - Deadlines for submitting UDOC declarations, No Changes Authorization Forms, Change in Inspection...

Code of Federal Regulations, 2012 CFR

2012-01-01

... OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.4 Deadlines for submitting UDOC declarations...

15 CFR 715.4 - Deadlines for submitting UDOC declarations, No Changes Authorization Forms, Change in Inspection...

Code of Federal Regulations, 2010 CFR

2010-01-01

... OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.4 Deadlines for submitting UDOC declarations...

15 CFR 715.4 - Deadlines for submitting UDOC declarations, No Changes Authorization Forms, Change in Inspection...

Code of Federal Regulations, 2011 CFR

2011-01-01

... OF INDUSTRY AND SECURITY, DEPARTMENT OF COMMERCE CHEMICAL WEAPONS CONVENTION REGULATIONS ACTIVITIES INVOLVING UNSCHEDULED DISCRETE ORGANIC CHEMICALS (UDOCs) § 715.4 Deadlines for submitting UDOC declarations...

49 CFR 383.77 - Substitute for driving skills tests for drivers with military CMV experience.

Code of Federal Regulations, 2013 CFR

2013-10-01

... with military CMV experience. 383.77 Section 383.77 Transportation Other Regulations Relating to... CMV experience. At the discretion of a State, the driving skills test as specified in § 383.113 may be waived for a CMV driver with military CMV experience who is currently licensed at the time of his/her...

49 CFR 383.77 - Substitute for driving skills tests for drivers with military CMV experience.

Code of Federal Regulations, 2012 CFR

2012-10-01

... with military CMV experience. 383.77 Section 383.77 Transportation Other Regulations Relating to... CMV experience. At the discretion of a State, the driving skills test as specified in § 383.113 may be waived for a CMV driver with military CMV experience who is currently licensed at the time of his/her...

49 CFR 383.77 - Substitute for driving skills tests for drivers with military CMV experience.

Code of Federal Regulations, 2014 CFR

2014-10-01

... with military CMV experience. 383.77 Section 383.77 Transportation Other Regulations Relating to... CMV experience. At the discretion of a State, the driving skills test as specified in § 383.113 may be waived for a CMV driver with military CMV experience who is currently licensed at the time of his/her...

49 CFR 383.77 - Substitute for driving skills tests for drivers with military CMV experience.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 5 2011-10-01 2011-10-01 false Substitute for driving skills tests for drivers... Testing and Licensing Procedures § 383.77 Substitute for driving skills tests for drivers with military CMV experience. At the discretion of a State, the driving skills test as specified in § 383.113 may be...

Some unsolved problems in discrete mathematics and mathematical cybernetics

NASA Astrophysics Data System (ADS)

Korshunov, Aleksei D.

2009-10-01

There are many unsolved problems in discrete mathematics and mathematical cybernetics. Writing a comprehensive survey of such problems involves great difficulties. First, such problems are rather numerous and varied. Second, they greatly differ from each other in degree of completeness of their solution. Therefore, even a comprehensive survey should not attempt to cover the whole variety of such problems; only the most important and significant problems should be reviewed. An impersonal choice of problems to include is quite hard. This paper includes 13 unsolved problems related to combinatorial mathematics and computational complexity theory. The problems selected give an indication of the author's studies for 50 years; for this reason, the choice of the problems reviewed here is, to some extent, subjective. At the same time, these problems are very difficult and quite important for discrete mathematics and mathematical cybernetics. Bibliography: 74 items.

Entrainment of coarse grains using a discrete particle model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valyrakis, Manousos, E-mail: Manousos.Valyrakis@glasgow.ac.uk; Arnold, Roger B. Jr.

2014-10-06

Conventional bedload transport models and incipient motion theories relying on a time-averaged boundary shear stress are incapable of accounting for the effects of fluctuating near-bed velocity in turbulent flow and are therefore prone to significant errors. Impulse, the product of an instantaneous force magnitude and its duration, has been recently proposed as an appropriate criterion for quantifying the effects of flow turbulence in removing coarse grains from the bed surface. Here, a discrete particle model (DPM) is used to examine the effects of impulse, representing a single idealized turbulent event, on particle entrainment. The results are classified according to themore » degree of grain movement into the following categories: motion prior to entrainment, initial dislodgement, and energetic displacement. The results indicate that in all three cases the degree of particle motion depends on both the force magnitude and the duration of its application and suggest that the effects of turbulence must be adequately accounted for in order to develop a more accurate method of determining incipient motion. DPM is capable of simulating the dynamics of grain entrainment and is an appropriate tool for further study of the fundamental mechanisms of sediment transport.« less

Surrogate-Based Optimization of Biogeochemical Transport Models

NASA Astrophysics Data System (ADS)

Prieß, Malte; Slawig, Thomas

2010-09-01

First approaches towards a surrogate-based optimization method for a one-dimensional marine biogeochemical model of NPZD type are presented. The model, developed by Oschlies and Garcon [1], simulates the distribution of nitrogen, phytoplankton, zooplankton and detritus in a water column and is driven by ocean circulation data. A key issue is to minimize the misfit between the model output and given observational data. Our aim is to reduce the overall optimization cost avoiding expensive function and derivative evaluations by using a surrogate model replacing the high-fidelity model in focus. This in particular becomes important for more complex three-dimensional models. We analyse a coarsening in the discretization of the model equations as one way to create such a surrogate. Here the numerical stability crucially depends upon the discrete stepsize in time and space and the biochemical terms. We show that for given model parameters the level of grid coarsening can be choosen accordingly yielding a stable and satisfactory surrogate. As one example of a surrogate-based optimization method we present results of the Aggressive Space Mapping technique (developed by John W. Bandler [2, 3]) applied to the optimization of this one-dimensional biogeochemical transport model.

A WENO-solver combined with adaptive momentum discretization for the Wigner transport equation and its application to resonant tunneling diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dorda, Antonius, E-mail: dorda@tugraz.at; Schürrer, Ferdinand, E-mail: ferdinand.schuerrer@tugraz.at

2015-03-01

We present a novel numerical scheme for the deterministic solution of the Wigner transport equation, especially suited to deal with situations in which strong quantum effects are present. The unique feature of the algorithm is the expansion of the Wigner function in local basis functions, similar to finite element or finite volume methods. This procedure yields a discretization of the pseudo-differential operator that conserves the particle density on arbitrarily chosen grids. The high flexibility in refining the grid spacing together with the weighted essentially non-oscillatory (WENO) scheme for the advection term allows for an accurate and well-resolved simulation of themore » phase space dynamics. A resonant tunneling diode is considered as test case and a detailed convergence study is given by comparing the results to a non-equilibrium Green's functions calculation. The impact of the considered domain size and of the grid spacing is analyzed. The obtained convergence of the results towards a quasi-exact agreement of the steady state Wigner and Green's functions computations demonstrates the accuracy of the scheme, as well as the high flexibility to adjust to different physical situations.« less

A Variational Nodal Approach to 2D/1D Pin Resolved Neutron Transport for Pressurized Water Reactors

DOE PAGES

Zhang, Tengfei; Lewis, E. E.; Smith, M. A.; ...

2017-04-18

A two-dimensional/one-dimensional (2D/1D) variational nodal approach is presented for pressurized water reactor core calculations without fuel-moderator homogenization. A 2D/1D approximation to the within-group neutron transport equation is derived and converted to an even-parity form. The corresponding nodal functional is presented and discretized to obtain response matrix equations. Within the nodes, finite elements in the x-y plane and orthogonal functions in z are used to approximate the spatial flux distribution. On the radial interfaces, orthogonal polynomials are employed; on the axial interfaces, piecewise constants corresponding to the finite elements eliminate the interface homogenization that has been a challenge for method ofmore » characteristics (MOC)-based 2D/1D approximations. The angular discretization utilizes an even-parity integral method within the nodes, and low-order spherical harmonics (P N) on the axial interfaces. The x-y surfaces are treated with high-order P N combined with quasi-reflected interface conditions. Furthermore, the method is applied to the C5G7 benchmark problems and compared to Monte Carlo reference calculations.« less

A time accurate finite volume high resolution scheme for three dimensional Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Hsu, Andrew T.

1989-01-01

A time accurate, three-dimensional, finite volume, high resolution scheme for solving the compressible full Navier-Stokes equations is presented. The present derivation is based on the upwind split formulas, specifically with the application of Roe's (1981) flux difference splitting. A high-order accurate (up to the third order) upwind interpolation formula for the inviscid terms is derived to account for nonuniform meshes. For the viscous terms, discretizations consistent with the finite volume concept are described. A variant of second-order time accurate method is proposed that utilizes identical procedures in both the predictor and corrector steps. Avoiding the definition of midpoint gives a consistent and easy procedure, in the framework of finite volume discretization, for treating viscous transport terms in the curvilinear coordinates. For the boundary cells, a new treatment is introduced that not only avoids the use of 'ghost cells' and the associated problems, but also satisfies the tangency conditions exactly and allows easy definition of viscous transport terms at the first interface next to the boundary cells. Numerical tests of steady and unsteady high speed flows show that the present scheme gives accurate solutions.

A Variational Nodal Approach to 2D/1D Pin Resolved Neutron Transport for Pressurized Water Reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Tengfei; Lewis, E. E.; Smith, M. A.

A two-dimensional/one-dimensional (2D/1D) variational nodal approach is presented for pressurized water reactor core calculations without fuel-moderator homogenization. A 2D/1D approximation to the within-group neutron transport equation is derived and converted to an even-parity form. The corresponding nodal functional is presented and discretized to obtain response matrix equations. Within the nodes, finite elements in the x-y plane and orthogonal functions in z are used to approximate the spatial flux distribution. On the radial interfaces, orthogonal polynomials are employed; on the axial interfaces, piecewise constants corresponding to the finite elements eliminate the interface homogenization that has been a challenge for method ofmore » characteristics (MOC)-based 2D/1D approximations. The angular discretization utilizes an even-parity integral method within the nodes, and low-order spherical harmonics (P N) on the axial interfaces. The x-y surfaces are treated with high-order P N combined with quasi-reflected interface conditions. Furthermore, the method is applied to the C5G7 benchmark problems and compared to Monte Carlo reference calculations.« less

A WENO-solver combined with adaptive momentum discretization for the Wigner transport equation and its application to resonant tunneling diodes

PubMed Central

Dorda, Antonius; Schürrer, Ferdinand

2015-01-01

We present a novel numerical scheme for the deterministic solution of the Wigner transport equation, especially suited to deal with situations in which strong quantum effects are present. The unique feature of the algorithm is the expansion of the Wigner function in local basis functions, similar to finite element or finite volume methods. This procedure yields a discretization of the pseudo-differential operator that conserves the particle density on arbitrarily chosen grids. The high flexibility in refining the grid spacing together with the weighted essentially non-oscillatory (WENO) scheme for the advection term allows for an accurate and well-resolved simulation of the phase space dynamics. A resonant tunneling diode is considered as test case and a detailed convergence study is given by comparing the results to a non-equilibrium Green's functions calculation. The impact of the considered domain size and of the grid spacing is analyzed. The obtained convergence of the results towards a quasi-exact agreement of the steady state Wigner and Green's functions computations demonstrates the accuracy of the scheme, as well as the high flexibility to adjust to different physical situations. PMID:25892748

A WENO-solver combined with adaptive momentum discretization for the Wigner transport equation and its application to resonant tunneling diodes.

PubMed

Dorda, Antonius; Schürrer, Ferdinand

2015-03-01

We present a novel numerical scheme for the deterministic solution of the Wigner transport equation, especially suited to deal with situations in which strong quantum effects are present. The unique feature of the algorithm is the expansion of the Wigner function in local basis functions, similar to finite element or finite volume methods. This procedure yields a discretization of the pseudo-differential operator that conserves the particle density on arbitrarily chosen grids. The high flexibility in refining the grid spacing together with the weighted essentially non-oscillatory (WENO) scheme for the advection term allows for an accurate and well-resolved simulation of the phase space dynamics. A resonant tunneling diode is considered as test case and a detailed convergence study is given by comparing the results to a non-equilibrium Green's functions calculation. The impact of the considered domain size and of the grid spacing is analyzed. The obtained convergence of the results towards a quasi-exact agreement of the steady state Wigner and Green's functions computations demonstrates the accuracy of the scheme, as well as the high flexibility to adjust to different physical situations.

Numerical analysis of field-modulated electroosmotic flows in microchannels with arbitrary numbers and configurations of discrete electrodes.

PubMed

Chao, Kan; Chen, Bo; Wu, Jiankang

2010-12-01

The formation of an electric double layer and electroosmosis are important theoretic foundations associated with microfluidic systems. Field-modulated electroosmotic flows in microchannels can be obtained by applying modulating electric fields in a direction perpendicular to a channel wall. This paper presents a systematic numerical analysis of modulated electroosmotic flows in a microchannel with discrete electrodes on the basis of the Poisson equation of electric fields in a liquid-solid coupled domain, the Navier-Stokes equation of liquid flow, and the Nernst-Planck equation of ion transport. These equations are nonlinearly coupled and are simultaneously solved numerically for the electroosmotic flow velocity, electric potential, and ion concentrations in the microchannel. A number of numerical examples of modulated electroosmotic flows in microchannels with discrete electrodes are presented, including single electrodes, symmetric/asymmetric double electrodes, and triple electrodes. Numerical results indicate that chaotic circulation flows, micro-vortices, and effective fluid mixing can be realized in microchannels by applying modulating electric fields with various electrode configurations. The interaction of a modulating field with an applied field along the channel is also discussed.

A Multiple Items EPQ/EOQ Model for a Vendor and Multiple Buyers System with Considering Continuous and Discrete Demand Simultaneously

NASA Astrophysics Data System (ADS)

Jonrinaldi; Rahman, T.; Henmaidi; Wirdianto, E.; Zhang, D. Z.

2018-03-01

This paper proposed a mathematical model for multiple items Economic Production and Order Quantity (EPQ/EOQ) with considering continuous and discrete demand simultaneously in a system consisting of a vendor and multiple buyers. This model is used to investigate the optimal production lot size of the vendor and the number of shipments policy of orders to multiple buyers. The model considers the multiple buyers’ holding cost as well as transportation cost, which minimize the total production and inventory costs of the system. The continuous demand from any other customers can be fulfilled anytime by the vendor while the discrete demand from multiple buyers can be fulfilled by the vendor using the multiple delivery policy with a number of shipments of items in the production cycle time. A mathematical model is developed to illustrate the system based on EPQ and EOQ model. Solution procedures are proposed to solve the model using a Mixed Integer Non Linear Programming (MINLP) and algorithm methods. Then, the numerical example is provided to illustrate the system and results are discussed.

Numerical solution of the Hele-Shaw equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whitaker, N.

1987-04-01

An algorithm is presented for approximating the motion of the interface between two immiscible fluids in a Hele-Shaw cell. The interface is represented by a set of volume fractions. We use the Simple Line Interface Calculation method along with the method of fractional steps to transport the interface. The equation of continuity leads to a Poisson equation for the pressure. The Poisson equation is discretized. Near the interface where the velocity field is discontinuous, the discretization is based on a weak formulation of the continuity equation. Interpolation is used on each side of the interface to increase the accuracy ofmore » the algorithm. The weak formulation as well as the interpolation are based on the computed volume fractions. This treatment of the interface is new. The discretized equations are solved by a modified conjugate gradient method. Surface tension is included and the curvature is computed through the use of osculating circles. For perturbations of small amplitude, a surprisingly good agreement is found between the numerical results and linearized perturbation theory. Numerical results are presented for the finite amplitude growth of unstable fingers. 62 refs., 13 figs.« less

Development of Tokamak Transport Solvers for Stiff Confinement Systems

NASA Astrophysics Data System (ADS)

St. John, H. E.; Lao, L. L.; Murakami, M.; Park, J. M.

2006-10-01

Leading transport models such as GLF23 [1] and MM95 [2] describe turbulent plasma energy, momentum and particle flows. In order to accommodate existing transport codes and associated solution methods effective diffusivities have to be derived from these turbulent flow models. This can cause significant problems in predicting unique solutions. We have developed a parallel transport code solver, GCNMP, that can accommodate both flow based and diffusivity based confinement models by solving the discretized nonlinear equations using modern Newton, trust region, steepest descent and homotopy methods. We present our latest development efforts, including multiple dynamic grids, application of two-level parallel schemes, and operator splitting techniques that allow us to combine flow based and diffusivity based models in tokamk simulations. 6pt [1] R.E. Waltz, et al., Phys. Plasmas 4, 7 (1997). [2] G. Bateman, et al., Phys. Plasmas 5, 1793 (1998).

Morphing Surfaces Enable Acoustophoretic Contactless Transport of Ultrahigh-Density Matter in Air

PubMed Central

Foresti, Daniele; Sambatakakis, Giorgio; Bottan, Simone; Poulikakos, Dimos

2013-01-01

The controlled contactless transport of heavy drops and particles in air is of fundamental interest and has significant application potential. Acoustic forces do not rely on special material properties, but their utility in transporting heavy matter in air has been restricted by low power and poor controllability. Here we present a new concept of acoustophoresis, based on the morphing of a deformable reflector, which exploits the low reaction forces and low relaxation time of a liquid with enhanced surface tension through the use of thin overlaid membrane. An acoustically induced, mobile deformation (dimple) on the reflector surface enhances the acoustic field emitted by a line of discretized emitters and enables the countinuos motion of heavy levitated samples. With such interplay of emitters and reflecting soft-structure, a 5 mm steel sphere (0.5 grams) was contactlessly transported in air solely by acoustophoresis. PMID:24212104

Using a derivative-free optimization method for multiple solutions of inverse transport problems

DOE PAGES

Armstrong, Jerawan C.; Favorite, Jeffrey A.

2016-01-14

Identifying unknown components of an object that emits radiation is an important problem for national and global security. Radiation signatures measured from an object of interest can be used to infer object parameter values that are not known. This problem is called an inverse transport problem. An inverse transport problem may have multiple solutions and the most widely used approach for its solution is an iterative optimization method. This paper proposes a stochastic derivative-free global optimization algorithm to find multiple solutions of inverse transport problems. The algorithm is an extension of a multilevel single linkage (MLSL) method where a meshmore » adaptive direct search (MADS) algorithm is incorporated into the local phase. Furthermore, numerical test cases using uncollided fluxes of discrete gamma-ray lines are presented to show the performance of this new algorithm.« less

Generalized Fokker-Planck theory for electron and photon transport in biological tissues: application to radiotherapy.

PubMed

Olbrant, Edgar; Frank, Martin

2010-12-01

In this paper, we study a deterministic method for particle transport in biological tissues. The method is specifically developed for dose calculations in cancer therapy and for radiological imaging. Generalized Fokker-Planck (GFP) theory [Leakeas and Larsen, Nucl. Sci. Eng. 137 (2001), pp. 236-250] has been developed to improve the Fokker-Planck (FP) equation in cases where scattering is forward-peaked and where there is a sufficient amount of large-angle scattering. We compare grid-based numerical solutions to FP and GFP in realistic medical applications. First, electron dose calculations in heterogeneous parts of the human body are performed. Therefore, accurate electron scattering cross sections are included and their incorporation into our model is extensively described. Second, we solve GFP approximations of the radiative transport equation to investigate reflectance and transmittance of light in biological tissues. All results are compared with either Monte Carlo or discrete-ordinates transport solutions.

MT3DMS: Model use, calibration, and validation

USGS Publications Warehouse

Zheng, C.; Hill, Mary C.; Cao, G.; Ma, R.

2012-01-01

MT3DMS is a three-dimensional multi-species solute transport model for solving advection, dispersion, and chemical reactions of contaminants in saturated groundwater flow systems. MT3DMS interfaces directly with the U.S. Geological Survey finite-difference groundwater flow model MODFLOW for the flow solution and supports the hydrologic and discretization features of MODFLOW. MT3DMS contains multiple transport solution techniques in one code, which can often be important, including in model calibration. Since its first release in 1990 as MT3D for single-species mass transport modeling, MT3DMS has been widely used in research projects and practical field applications. This article provides a brief introduction to MT3DMS and presents recommendations about calibration and validation procedures for field applications of MT3DMS. The examples presented suggest the need to consider alternative processes as models are calibrated and suggest opportunities and difficulties associated with using groundwater age in transport model calibration.

Comparison of generated parallel capillary arrays to three-dimensional reconstructed capillary networks in modeling oxygen transport in discrete microvascular volumes.

PubMed

Fraser, Graham M; Goldman, Daniel; Ellis, Christopher G

2013-11-01

We compare RMN to PCA under several simulated physiological conditions to determine how the use of different vascular geometry affects oxygen transport solutions. Three discrete networks were reconstructed from intravital video microscopy of rat skeletal muscle (84 × 168 × 342 μm, 70 × 157 × 268 μm, and 65 × 240 × 571 μm), and hemodynamic measurements were made in individual capillaries. PCAs were created based on statistical measurements from RMNs. Blood flow and O₂ transport models were applied, and the resulting solutions for RMN and PCA models were compared under four conditions (rest, exercise, ischemia, and hypoxia). Predicted tissue PO₂ was consistently lower in all RMN simulations compared to the paired PCA. PO₂ for 3D reconstructions at rest were 28.2 ± 4.8, 28.1 ± 3.5, and 33.0 ± 4.5 mmHg for networks I, II, and III compared to the PCA mean values of 31.2 ± 4.5, 30.6 ± 3.4, and 33.8 ± 4.6 mmHg. Simulated exercise yielded mean tissue PO₂ in the RMN of 10.1 ± 5.4, 12.6 ± 5.7, and 19.7 ± 5.7 mmHg compared to 15.3 ± 7.3, 18.8 ± 5.3, and 21.7 ± 6.0 in PCA. These findings suggest that volume matched PCA yield different results compared to reconstructed microvascular geometries when applied to O₂ transport modeling; the predominant characteristic of this difference being an over estimate of mean tissue PO₂. Despite this limitation, PCA models remain important for theoretical studies as they produce PO₂ distributions with similar shape and parameter dependence as RMN. © 2013 John Wiley & Sons Ltd.

Intestinal absorption of the acetamiprid neonicotinoid by Caco-2 cells: transepithelial transport, cellular uptake and efflux.

PubMed

Brunet, Jean-Luc; Maresca, Marc; Fantini, Jacques; Belzunces, Luc P

2008-01-01

The human intestinal absorption of acetamiprid (AAP) using the Caco-2 cell line reveals that AAP flux was active in a bidirectional mode with an apparent permeability coefficient of 26 x 10(-6) cm x s(-1) at 37 degrees C. Apical uptake was concentration-dependent and unsaturated for AAP concentrations up to 200 micro M. AAP cell preloading demonstrated the involvement of active transport mechanisms. Arrhenius plot analysis revealed an unusual profile with two apparent activation energies suggesting two transport processes. Uptake Vi studies indicated the involvement of a sodium-dependent transporter, the presence of a common transporter of AAP and nicotine and the involvement of Ti-sensitive ATP-dependent efflux transporters. Apical efflux investigations showed the involvement of inward active transporter(s). Whereas vincristine had no effect on intracellular accumulation, taxol and daunorubicin treatments unexpectedly led to 10% and 23% reductions respectively, suggesting that the latter shared a common inward transporter with AAP. All these results suggest full and express AAP absorption in vivo with transport involving both inward and outward, passive and active mechanisms. Thus, AAP or its metabolites could be representative of a risk for human health after its ingestion in food.

A Kronecker product splitting preconditioner for two-dimensional space-fractional diffusion equations

NASA Astrophysics Data System (ADS)

Chen, Hao; Lv, Wen; Zhang, Tongtong

2018-05-01

We study preconditioned iterative methods for the linear system arising in the numerical discretization of a two-dimensional space-fractional diffusion equation. Our approach is based on a formulation of the discrete problem that is shown to be the sum of two Kronecker products. By making use of an alternating Kronecker product splitting iteration technique we establish a class of fixed-point iteration methods. Theoretical analysis shows that the new method converges to the unique solution of the linear system. Moreover, the optimal choice of the involved iteration parameters and the corresponding asymptotic convergence rate are computed exactly when the eigenvalues of the system matrix are all real. The basic iteration is accelerated by a Krylov subspace method like GMRES. The corresponding preconditioner is in a form of a Kronecker product structure and requires at each iteration the solution of a set of discrete one-dimensional fractional diffusion equations. We use structure preserving approximations to the discrete one-dimensional fractional diffusion operators in the action of the preconditioning matrix. Numerical examples are presented to illustrate the effectiveness of this approach.

Lens elliptic gamma function solution of the Yang-Baxter equation at roots of unity

NASA Astrophysics Data System (ADS)

Kels, Andrew P.; Yamazaki, Masahito

2018-02-01

We study the root of unity limit of the lens elliptic gamma function solution of the star-triangle relation, for an integrable model with continuous and discrete spin variables. This limit involves taking an elliptic nome to a primitive rNth root of unity, where r is an existing integer parameter of the lens elliptic gamma function, and N is an additional integer parameter. This is a singular limit of the star-triangle relation, and at subleading order of an asymptotic expansion, another star-triangle relation is obtained for a model with discrete spin variables in {Z}rN . Some special choices of solutions of equation of motion are shown to result in well-known discrete spin solutions of the star-triangle relation. The saddle point equations themselves are identified with three-leg forms of ‘3D-consistent’ classical discrete integrable equations, known as Q4 and Q3(δ=0) . We also comment on the implications for supersymmetric gauge theories, and in particular comment on a close parallel with the works of Nekrasov and Shatashvili.

Stability of Dynamical Systems with Discontinuous Motions:

NASA Astrophysics Data System (ADS)

Michel, Anthony N.; Hou, Ling

In this paper we present a stability theory for discontinuous dynamical systems (DDS): continuous-time systems whose motions are not necessarily continuous with respect to time. We show that this theory is not only applicable in the analysis of DDS, but also in the analysis of continuous dynamical systems (continuous-time systems whose motions are continuous with respect to time), discrete-time dynamical systems (systems whose motions are defined at discrete points in time) and hybrid dynamical systems (HDS) (systems whose descriptions involve simultaneously continuous-time and discrete-time). We show that the stability results for DDS are in general less conservative than the corresponding well-known classical Lyapunov results for continuous dynamical systems and discrete-time dynamical systems. Although the DDS stability results are applicable to general dynamical systems defined on metric spaces (divorced from any kind of description by differential equations, or any other kinds of equations), we confine ourselves to finite-dimensional dynamical systems defined by ordinary differential equations and difference equations, to make this paper as widely accessible as possible. We present only sample results, namely, results for uniform asymptotic stability in the large.

A field study of discrete emotions: athletes' cognitive appraisals during competition.

PubMed

Martinent, Guillaume; Ferrand, Claude

2015-03-01

Cognitive-motivational-relational theory (CMRT) emphasizes that cognitive appraisal components and core relational themes (in which the 6 separate appraisal judgments are brought together as 1) are the proximal determinants of athletes' emotions. This study aimed to explore appraisals associated with discrete emotions experienced by athletes during competition by adopting a naturalistic, qualitative video-assisted approach. Thirty self-confrontation interviews were conducted with 11 national table-tennis players. Qualitative inductive and deductive content analyses were conducted on the participants' transcripts. Content analyses suggested that primary and secondary appraisal components (goal relevance, goal congruence, ego involvement, blame or credit, coping potential, and future expectations) were associated with a range of positive and negative discrete emotions: self-, other-, and environmental-oriented anger, anxiety, discouragement, disappointment, disgust, joy, serenity, relief, hope, and pride. Hierarchical content analyses also provided some support for the concept of core relational themes. Findings of the present study are consistent with a CMRT approach and highlight that primary and secondary appraisals as well as core relational themes are associated with discrete emotions experienced by athletes while competing. Limitations and practical applications of this study are discussed.

A standard test case suite for two-dimensional linear transport on the sphere: results from a collection of state-of-the-art schemes

NASA Astrophysics Data System (ADS)

Lauritzen, P. H.; Ullrich, P. A.; Jablonowski, C.; Bosler, P. A.; Calhoun, D.; Conley, A. J.; Enomoto, T.; Dong, L.; Dubey, S.; Guba, O.; Hansen, A. B.; Kaas, E.; Kent, J.; Lamarque, J.-F.; Prather, M. J.; Reinert, D.; Shashkin, V. V.; Skamarock, W. C.; Sørensen, B.; Taylor, M. A.; Tolstykh, M. A.

2013-09-01

Recently, a standard test case suite for 2-D linear transport on the sphere was proposed to assess important aspects of accuracy in geophysical fluid dynamics with a "minimal" set of idealized model configurations/runs/diagnostics. Here we present results from 19 state-of-the-art transport scheme formulations based on finite-difference/finite-volume methods as well as emerging (in the context of atmospheric/oceanographic sciences) Galerkin methods. Discretization grids range from traditional regular latitude-longitude grids to more isotropic domain discretizations such as icosahedral and cubed-sphere tessellations of the sphere. The schemes are evaluated using a wide range of diagnostics in idealized flow environments. Accuracy is assessed in single- and two-tracer configurations using conventional error norms as well as novel diagnostics designed for climate and climate-chemistry applications. In addition, algorithmic considerations that may be important for computational efficiency are reported on. The latter is inevitably computing platform dependent, The ensemble of results from a wide variety of schemes presented here helps shed light on the ability of the test case suite diagnostics and flow settings to discriminate between algorithms and provide insights into accuracy in the context of global atmospheric/ocean modeling. A library of benchmark results is provided to facilitate scheme intercomparison and model development. Simple software and data-sets are made available to facilitate the process of model evaluation and scheme intercomparison.

A standard test case suite for two-dimensional linear transport on the sphere: results from a collection of state-of-the-art schemes

NASA Astrophysics Data System (ADS)

Lauritzen, P. H.; Ullrich, P. A.; Jablonowski, C.; Bosler, P. A.; Calhoun, D.; Conley, A. J.; Enomoto, T.; Dong, L.; Dubey, S.; Guba, O.; Hansen, A. B.; Kaas, E.; Kent, J.; Lamarque, J.-F.; Prather, M. J.; Reinert, D.; Shashkin, V. V.; Skamarock, W. C.; Sørensen, B.; Taylor, M. A.; Tolstykh, M. A.

2014-01-01

Recently, a standard test case suite for 2-D linear transport on the sphere was proposed to assess important aspects of accuracy in geophysical fluid dynamics with a "minimal" set of idealized model configurations/runs/diagnostics. Here we present results from 19 state-of-the-art transport scheme formulations based on finite-difference/finite-volume methods as well as emerging (in the context of atmospheric/oceanographic sciences) Galerkin methods. Discretization grids range from traditional regular latitude-longitude grids to more isotropic domain discretizations such as icosahedral and cubed-sphere tessellations of the sphere. The schemes are evaluated using a wide range of diagnostics in idealized flow environments. Accuracy is assessed in single- and two-tracer configurations using conventional error norms as well as novel diagnostics designed for climate and climate-chemistry applications. In addition, algorithmic considerations that may be important for computational efficiency are reported on. The latter is inevitably computing platform dependent. The ensemble of results from a wide variety of schemes presented here helps shed light on the ability of the test case suite diagnostics and flow settings to discriminate between algorithms and provide insights into accuracy in the context of global atmospheric/ocean modeling. A library of benchmark results is provided to facilitate scheme intercomparison and model development. Simple software and data sets are made available to facilitate the process of model evaluation and scheme intercomparison.

How important is exact knowledge of preferential flowpath locations and orientations for understanding spatiotemporally integrated spring hydrologic and transport response?

NASA Astrophysics Data System (ADS)

Henson, W.; De Rooij, R.; Graham, W. D.

2016-12-01

The Upper Floridian Aquifer is hydrogeologically complex; limestone dissolution has led to vertical and horizontal preferential flow paths. Locations of karst conduits are unknown and conduit properties are poorly constrained. Uncertainty in effects of conduit location, size, and density, network geometry and connectivity on hydrologic and transport responses is not well quantified, leading to limited use of discrete-continuum models that incorporate conduit networks for regional-scale hydrologic regulatory models. However, conduit networks typically dominate flow and contaminant transport in karst aquifers. We evaluated sensitivity of simulated water and nitrate fluxes and flow paths to karst conduit geometry in a springshed representative of Silver Springs, Florida, using a novel calcite dissolution conduit-generation algorithm coupled with a discrete-continuum flow and transport model (DisCo). Monte Carlo simulations of conduit generation, groundwater flow, and conservative solute transport indicate that, if a first magnitude spring system conduit network developed (i.e., spring flow >2.8 m3/s), the uncertainty in hydraulic and solute pulse response metrics at the spring vent was minimally related to locational uncertainty of network elements. Across the ensemble of realizations for various distributions of conduits, first magnitude spring hydraulic pulse metrics (e.g., steady-flow, peak flow, and recession coefficients) had < 0.01 coefficient of variation (CV). Similarly, spring solute breakthrough curve moments had low CV (<0.08); peak arrival had CV=0.06, mean travel time had CV=0.05, and travel time standard deviation had CV=0.08. Nevertheless, hydraulic and solute pulse response metrics were significantly different than those predicted by an equivalent porous-media model. These findings indicate that regional-scale decision models that incorporate karst preferential flow paths within an uncertainty framework can be used to better constrain aquifer-vulnerability estimates, despite lacking information about actual conduit locations.

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

NASA Astrophysics Data System (ADS)

Chacon, Luis; Del-Castillo-Negrete, Diego

2011-10-01

Modeling electron transport in magnetized plasmas is extremely challenging due to the extreme anisotropy introduced by the presence of the magnetic field (χ∥ /χ⊥ ~1010 in fusion plasmas). Recently, a novel Lagrangian method has been proposed to solve the local and non-local purely parallel transport equation in general 3D magnetic fields. The approach avoids numerical pollution (in fact, it respects transport barriers -flux surfaces- exactly by construction), 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 approach to include perpendicular transport and sources. We present an asymptotic-preserving numerical formulation that ensures a consistent numerical discretization temporally and spatially for arbitrary χ∥ /χ⊥ ratios. This is of importance because parallel and perpendicular transport terms in the transport equation may become comparable in regions of the plasma (e.g., at incipient islands), while remaining disparate elsewhere. We will demonstrate the potential of the approach with various challenging configurations, including the case of transport across a magnetic island in cylindrical geometry. D. del-Castillo-Negrete, L. Chacón, PRL, 106, 195004 (2011); DPP11 invited talk by del-Castillo-Negrete.

Anisotropic heat transport in reversed shear configurations: shearless Cantori barriers and nonlocal transport

NASA Astrophysics Data System (ADS)

Blasevski, D.; Del-Castillo-Negrete, D.

2012-10-01

Heat transport in magnetized plasmas is a problem of fundamental interest in controlled fusion. In Ref.footnotetext D. del-Castillo-Negrete, and L. Chac'on, Phys. Rev. Lett., 106, 195004 (2011); Phys. Plasmas 19, 056112 (2012). we proposed a Lagrangian-Green's function (LG) method to study this problem in the strongly anisotropic (χ=0) regime. The LG method bypasses the need to discretize the transport operators on a grid and it is applicable to general parallel flux closures and 3-D magnetic fields. Here we apply the LG method to parallel transport (with local and nonlocal parallel flux closures) in reversed shear magnetic field configurations known to exhibit robust transport barriers in the vicinity of the extrema of the q-profile. By shearless Cantori (SC) we mean the invariant Cantor sets remaining after the destruction of toroidal flux surfaces with zero magnetic shear, q^'=0. We provide numerical evidence of the role of SC in the anomalously slow relaxation of radial temperature gradients in chaotic magnetic fields with no transport barriers. The spatio-temporal evolution of temperature pulses localized in the reversed shear region exhibits non-diffusive self-similar evolution and nonlocal effective radial transport.

Central San Francisco Bay suspended-sediment transport processes study and comparison of continuous and discrete measurements of suspended-solids concentrations

USGS Publications Warehouse

Schoellhamer, David H.

1994-01-01

Sediments are an important component of the San Francisco Bay estuarine system. Potentially toxic substances, such as metals and pesticides, adsorb to sediment particles. The sediments on the bottom of the Bay provide the habitat for benthic communities which can ingest these substances and introduce them into the food web. The bottom sediments are also a reservoir of nutrients. The transport and fate of suspended sediment is an important factor in determining the transport and fate of the constituents adsorbed on the sediment. Suspended sediments also limit light availability in the bay, which limits photosynthesis and primary production, and deposit in ports and shipping channels, which require dredging. Dredged materials are disposed in Central San Francisco Bay.

Mixed Transportation Network Design under a Sustainable Development Perspective

PubMed Central

Qin, Jin; Ni, Ling-lin; Shi, Feng

2013-01-01

A mixed transportation network design problem considering sustainable development was studied in this paper. Based on the discretization of continuous link-grade decision variables, a bilevel programming model was proposed to describe the problem, in which sustainability factors, including vehicle exhaust emissions, land-use scale, link load, and financial budget, are considered. The objective of the model is to minimize the total amount of resources exploited under the premise of meeting all the construction goals. A heuristic algorithm, which combined the simulated annealing and path-based gradient projection algorithm, was developed to solve the model. The numerical example shows that the transportation network optimized with the method above not only significantly alleviates the congestion on the link, but also reduces vehicle exhaust emissions within the network by up to 41.56%. PMID:23476142

Mixed transportation network design under a sustainable development perspective.

PubMed

Qin, Jin; Ni, Ling-lin; Shi, Feng

2013-01-01

A mixed transportation network design problem considering sustainable development was studied in this paper. Based on the discretization of continuous link-grade decision variables, a bilevel programming model was proposed to describe the problem, in which sustainability factors, including vehicle exhaust emissions, land-use scale, link load, and financial budget, are considered. The objective of the model is to minimize the total amount of resources exploited under the premise of meeting all the construction goals. A heuristic algorithm, which combined the simulated annealing and path-based gradient projection algorithm, was developed to solve the model. The numerical example shows that the transportation network optimized with the method above not only significantly alleviates the congestion on the link, but also reduces vehicle exhaust emissions within the network by up to 41.56%.

Kennedy Space Center ITC-1 Internship Overview

NASA Technical Reports Server (NTRS)

Ni, Marcus

2011-01-01

As an intern for Priscilla Elfrey in the ITC-1 department, I was involved in many activities that have helped me to develop many new skills. I supported four different projects during my internship, which included the Center for Life Cycle Design (CfLCD), SISO Space Interoperability Smackdown, RTI Teacher Mentor Program, and the Discrete Event Simulation Integrated Visualization Environment Team (DIVE). I provided the CfLCD with web based research on cyber security initiatives involving simulation, education for young children, cloud computing, Otronicon, and Science, Technology, Engineering, and Mathematics (STEM) education initiatives. I also attended STEM meetings regarding simulation courses, and educational course enhancements. To further improve the SISO Simulation event, I provided observation feedback to the technical advisory board. I also helped to set up a chat federation for HLA. The third project involved the RTI Teacher Mentor program, which I helped to organize. Last, but not least, I worked with the DIVE team to develop new software to help visualize discrete event simulations. All of these projects have provided experience on an interdisciplinary level ranging from speech and communication to solving complex problems using math and science.

Multidimensional discrete compactons in nonlinear Schrödinger lattices with strong nonlinearity management

DOE Office of Scientific and Technical Information (OSTI.GOV)

D'Ambroise, J.; Salerno, M.; Kevrekidis, P. G.

The existence of multidimensional lattice compactons in the discrete nonlinear Schrödinger equation in the presence of fast periodic time modulations of the nonlinearity is demonstrated. By averaging over the period of the fast modulations, an effective averaged dynamical equation arises with coupling constants involving Bessel functions of the first and zeroth kinds. We show that these terms allow one to solve, at this averaged level, for exact discrete compacton solution configurations in the corresponding stationary equation. We focus on seven types of compacton solutions. Single-site and vortex solutions are found to be always stable in the parametric regimes we examined.more » We also found that other solutions such as double-site in- and out-of-phase, four-site symmetric and antisymmetric, and a five-site compacton solution are found to have regions of stability and instability in two-dimensional parametric planes, involving variations of the strength of the coupling and of the nonlinearity. We also explore the time evolution of the solutions and compare the dynamics according to the averaged equations with those of the original dynamical system. Finally, the possible observation of compactons in Bose-Einstein condensates loaded in a deep two-dimensional optical lattice with interactions modulated periodically in time is also discussed.« less

Dynamic simulations of geologic materials using combined FEM/DEM/SPH analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morris, J P; Johnson, S M

2008-03-26

An overview of the Lawrence Discrete Element Code (LDEC) is presented, and results from a study investigating the effect of explosive and impact loading on geologic materials using the Livermore Distinct Element Code (LDEC) are detailed. LDEC was initially developed to simulate tunnels and other structures in jointed rock masses using large numbers of polyhedral blocks. Many geophysical applications, such as projectile penetration into rock, concrete targets, and boulder fields, require a combination of continuum and discrete methods in order to predict the formation and interaction of the fragments produced. In an effort to model this class of problems, LDECmore » now includes implementations of Cosserat point theory and cohesive elements. This approach directly simulates the transition from continuum to discontinuum behavior, thereby allowing for dynamic fracture within a combined finite element/discrete element framework. In addition, there are many application involving geologic materials where fluid-structure interaction is important. To facilitate solution of this class of problems a Smooth Particle Hydrodynamics (SPH) capability has been incorporated into LDEC to simulate fully coupled systems involving geologic materials and a saturating fluid. We will present results from a study of a broad range of geomechanical problems that exercise the various components of LDEC in isolation and in tandem.« less

Multidimensional discrete compactons in nonlinear Schrödinger lattices with strong nonlinearity management

DOE PAGES

D'Ambroise, J.; Salerno, M.; Kevrekidis, P. G.; ...

2015-11-19

The existence of multidimensional lattice compactons in the discrete nonlinear Schrödinger equation in the presence of fast periodic time modulations of the nonlinearity is demonstrated. By averaging over the period of the fast modulations, an effective averaged dynamical equation arises with coupling constants involving Bessel functions of the first and zeroth kinds. We show that these terms allow one to solve, at this averaged level, for exact discrete compacton solution configurations in the corresponding stationary equation. We focus on seven types of compacton solutions. Single-site and vortex solutions are found to be always stable in the parametric regimes we examined.more » We also found that other solutions such as double-site in- and out-of-phase, four-site symmetric and antisymmetric, and a five-site compacton solution are found to have regions of stability and instability in two-dimensional parametric planes, involving variations of the strength of the coupling and of the nonlinearity. We also explore the time evolution of the solutions and compare the dynamics according to the averaged equations with those of the original dynamical system. Finally, the possible observation of compactons in Bose-Einstein condensates loaded in a deep two-dimensional optical lattice with interactions modulated periodically in time is also discussed.« less

A minimally-resolved immersed boundary model for reaction-diffusion problems

NASA Astrophysics Data System (ADS)

Pal Singh Bhalla, Amneet; Griffith, Boyce E.; Patankar, Neelesh A.; Donev, Aleksandar

2013-12-01

We develop an immersed boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a minimally-resolved "blob" using many fewer degrees of freedom per particle than standard discretization approaches. More complicated or more highly resolved particle shapes can be built out of a collection of reactive blobs. We demonstrate numerically that the blob model can provide an accurate representation at low to moderate packing densities of the reactive particles, at a cost not much larger than solving a Poisson equation in the same domain. Unlike multipole expansion methods, our method does not require analytically computed Green's functions, but rather, computes regularized discrete Green's functions on the fly by using a standard grid-based discretization of the Poisson equation. This allows for great flexibility in implementing different boundary conditions, coupling to fluid flow or thermal transport, and the inclusion of other effects such as temporal evolution and even nonlinearities. We develop multigrid-based preconditioners for solving the linear systems that arise when using implicit temporal discretizations or studying steady states. In the diffusion-limited case the resulting linear system is a saddle-point problem, the efficient solution of which remains a challenge for suspensions of many particles. We validate our method by comparing to published results on reaction-diffusion in ordered and disordered suspensions of reactive spheres.

Discrete, continuous, and stochastic models of protein sorting in the Golgi apparatus

PubMed Central

Gong, Haijun; Guo, Yusong; Linstedt, Adam

2017-01-01

The Golgi apparatus plays a central role in processing and sorting proteins and lipids in eukaryotic cells. Golgi compartments constantly exchange material with each other and with other cellular components, allowing them to maintain and reform distinct identities despite dramatic changes in structure and size during cell division, development, and osmotic stress. We have developed three minimal models of membrane and protein exchange in the Golgi—a discrete, stochastic model, a continuous ordinary differential equation model, and a continuous stochastic differential equation model—each based on two fundamental mechanisms: vesicle-coat-mediated selective concentration of cargoes and soluble N-ethylmaleimide-sensitive factor attachment protein receptor SNARE proteins during vesicle formation and SNARE-mediated selective fusion of vesicles. By exploring where the models differ, we hope to discover whether the discrete, stochastic nature of vesicle-mediated transport is likely to have appreciable functional consequences for the Golgi. All three models show similar ability to restore and maintain distinct identities over broad parameter ranges. They diverge, however, in conditions corresponding to collapse and reassembly of the Golgi. The results suggest that a continuum model provides a good description of Golgi maintenance but that considering the discrete nature of vesicle-based traffic is important to understanding assembly and disassembly of the Golgi. Experimental analysis validates a prediction of the models that altering guanine nucleotide exchange factor expression levels will modulate Golgi size. PMID:20365406

Non-equilibrium Green's functions study of discrete dopants variability on an ultra-scaled FinFET

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valin, R., E-mail: r.valinferreiro@swansea.ac.uk; Martinez, A., E-mail: a.e.Martinez@swansea.ac.uk; Barker, J. R., E-mail: john.barker@glasgow.ac.uk

In this paper, we study the effect of random discrete dopants on the performance of a 6.6 nm channel length silicon FinFET. The discrete dopants have been distributed randomly in the source/drain region of the device. Due to the small dimensions of the FinFET, a quantum transport formalism based on the non-equilibrium Green's functions has been deployed. The transfer characteristics for several devices that differ in location and number of dopants have been calculated. Our results demonstrate that discrete dopants modify the effective channel length and the height of the source/drain barrier, consequently changing the channel control of the charge. Thismore » effect becomes more significant at high drain bias. As a consequence, there is a strong effect on the variability of the on-current, off-current, sub-threshold slope, and threshold voltage. Finally, we have also calculated the mean and standard deviation of these parameters to quantify their variability. The obtained results show that the variability at high drain bias is 1.75 larger than at low drain bias. However, the variability of the on-current, off-current, and sub-threshold slope remains independent of the drain bias. In addition, we have found that a large source to drain current by tunnelling current occurs at low gate bias.« less

Techniques for forced response involving discrete nonlinearities. I - Theory. II - Applications

NASA Astrophysics Data System (ADS)

Avitabile, Peter; Callahan, John O.

Several new techniques developed for the forced response analysis of systems containing discrete nonlinear connection elements are presented and compared to the traditional methods. In particular, the techniques examined are the Equivalent Reduced Model Technique (ERMT), Modal Modification Response Technique (MMRT), and Component Element Method (CEM). The general theory of the techniques is presented, and applications are discussed with particular reference to the beam nonlinear system model using ERMT, MMRT, and CEM; frame nonlinear response using the three techniques; and comparison of the results obtained by using the ERMT, MMRT, and CEM models.

Discrete integration of continuous Kalman filtering equations for time invariant second-order structural systems

NASA Technical Reports Server (NTRS)

Park, K. C.; Belvin, W. Keith

1990-01-01

A general form for the first-order representation of the continuous second-order linear structural-dynamics equations is introduced to derive a corresponding form of first-order continuous Kalman filtering equations. Time integration of the resulting equations is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete Kalman filtering equations involving only symmetric sparse N x N solution matrices.

Numerical approximation for the infinite-dimensional discrete-time optimal linear-quadratic regulator problem

NASA Technical Reports Server (NTRS)

Gibson, J. S.; Rosen, I. G.

1986-01-01

An abstract approximation framework is developed for the finite and infinite time horizon discrete-time linear-quadratic regulator problem for systems whose state dynamics are described by a linear semigroup of operators on an infinite dimensional Hilbert space. The schemes included the framework yield finite dimensional approximations to the linear state feedback gains which determine the optimal control law. Convergence arguments are given. Examples involving hereditary and parabolic systems and the vibration of a flexible beam are considered. Spline-based finite element schemes for these classes of problems, together with numerical results, are presented and discussed.

Second-order discrete Kalman filtering equations for control-structure interaction simulations

NASA Technical Reports Server (NTRS)

Park, K. C.; Belvin, W. Keith; Alvin, Kenneth F.

1991-01-01

A general form for the first-order representation of the continuous, second-order linear structural dynamics equations is introduced in order to derive a corresponding form of first-order Kalman filtering equations (KFE). Time integration of the resulting first-order KFE is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete KFE involving only symmetric, N x N solution matrix.

Conditions for extinction events in chemical reaction networks with discrete state spaces.

PubMed

Johnston, Matthew D; Anderson, David F; Craciun, Gheorghe; Brijder, Robert

2018-05-01

We study chemical reaction networks with discrete state spaces and present sufficient conditions on the structure of the network that guarantee the system exhibits an extinction event. The conditions we derive involve creating a modified chemical reaction network called a domination-expanded reaction network and then checking properties of this network. Unlike previous results, our analysis allows algorithmic implementation via systems of equalities and inequalities and suggests sequences of reactions which may lead to extinction events. We apply the results to several networks including an EnvZ-OmpR signaling pathway in Escherichia coli.

Closed loop models for analyzing the effects of simulator characteristics. [digital simulation of human operators

NASA Technical Reports Server (NTRS)

Baron, S.; Muralidharan, R.; Kleinman, D. L.

1978-01-01

The optimal control model of the human operator is used to develop closed loop models for analyzing the effects of (digital) simulator characteristics on predicted performance and/or workload. Two approaches are considered: the first utilizes a continuous approximation to the discrete simulation in conjunction with the standard optimal control model; the second involves a more exact discrete description of the simulator in a closed loop multirate simulation in which the optimal control model simulates the pilot. Both models predict that simulator characteristics can have significant effects on performance and workload.

Launch and Assembly Reliability Analysis for Mars Human Space Exploration Missions

NASA Technical Reports Server (NTRS)

Cates, Grant R.; Stromgren, Chel; Cirillo, William M.; Goodliff, Kandyce E.

2013-01-01

NASA s long-range goal is focused upon human exploration of Mars. Missions to Mars will require campaigns of multiple launches to assemble Mars Transfer Vehicles in Earth orbit. Launch campaigns are subject to delays, launch vehicles can fail to place their payloads into the required orbit, and spacecraft may fail during the assembly process or while loitering prior to the Trans-Mars Injection (TMI) burn. Additionally, missions to Mars have constrained departure windows lasting approximately sixty days that repeat approximately every two years. Ensuring high reliability of launching and assembling all required elements in time to support the TMI window will be a key enabler to mission success. This paper describes an integrated methodology for analyzing and improving the reliability of the launch and assembly campaign phase. A discrete event simulation involves several pertinent risk factors including, but not limited to: manufacturing completion; transportation; ground processing; launch countdown; ascent; rendezvous and docking, assembly, and orbital operations leading up to TMI. The model accommodates varying numbers of launches, including the potential for spare launches. Having a spare launch capability provides significant improvement to mission success.

A spectral approach for the stability analysis of turbulent open-channel flows over granular beds

NASA Astrophysics Data System (ADS)

Camporeale, C.; Canuto, C.; Ridolfi, L.

2012-01-01

A novel Orr-Sommerfeld-like equation for gravity-driven turbulent open-channel flows over a granular erodible bed is here derived, and the linear stability analysis is developed. The whole spectrum of eigenvalues and eigenvectors of the complete generalized eigenvalue problem is computed and analyzed. The fourth-order eigenvalue problem presents singular non-polynomial coefficients with non-homogenous Robin-type boundary conditions that involve first and second derivatives. Furthermore, the Exner condition is imposed at an internal point. We propose a numerical discretization of spectral type based on a single-domain Galerkin scheme. In order to manage the presence of singular coefficients, some properties of Jacobi polynomials have been carefully blended with numerical integration of Gauss-Legendre type. The results show a positive agreement with the classical experimental data and allow one to relate the different types of instability to such parameters as the Froude number, wavenumber, and the roughness scale. The eigenfunctions allow two types of boundary layers to be distinguished, scaling, respectively, with the roughness height and the saltation layer for the bedload sediment transport.

Identification of cation-binding sites on actin that drive polymerization and modulate bending stiffness

PubMed Central

Kang, Hyeran; Bradley, Michael J.; McCullough, Brannon R.; Pierre, Anaëlle; Grintsevich, Elena E.; Reisler, Emil; De La Cruz, Enrique M.

2012-01-01

The assembly of actin monomers into filaments and networks plays vital roles throughout eukaryotic biology, including intracellular transport, cell motility, cell division, determining cellular shape, and providing cells with mechanical strength. The regulation of actin assembly and modulation of filament mechanical properties are critical for proper actin function. It is well established that physiological salt concentrations promote actin assembly and alter the overall bending mechanics of assembled filaments and networks. However, the molecular origins of these salt-dependent effects, particularly if they involve nonspecific ionic strength effects or specific ion-binding interactions, are unknown. Here, we demonstrate that specific cation binding at two discrete sites situated between adjacent subunits along the long-pitch helix drive actin polymerization and determine the filament bending rigidity. We classify the two sites as “polymerization” and “stiffness” sites based on the effects that mutations at the sites have on salt-dependent filament assembly and bending mechanics, respectively. These results establish the existence and location of the cation-binding sites that confer salt dependence to the assembly and mechanics of actin filaments. PMID:23027950

Overview of MAVEN Particle and Fields Package (PFP) Measurements During Observations of Discrete Aurora at Mars by the MAVEN Imaging Ultraviolet Spectrograph (IUVS)

NASA Astrophysics Data System (ADS)

Soobiah, Y. I. J.; Espley, J. R.; Connerney, J. E. P.; Gruesbeck, J.; DiBraccio, G. A.; Schneider, N.; Jain, S.; Brain, D.; Andersson, L.; Halekas, J. S.; Lillis, R. J.; McFadden, J. P.; Mitchell, D. L.; Mazelle, C. X.; Deighan, J.; McClintock, W. E.; Ergun, R.; Jakosky, B. M.

2016-12-01

NASA's Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft has observed a variety of aurora at Mars and related processes that impact the escape of the Martian atmosphere. So far MAVEN's Imaging Ultraviolet Spectrograph (IUVS) instrument has observed 1) Diffuse aurora over widespread regions of Mars' northern hemisphere; 2) Discrete aurora that is spatially confined to localized patches around regions of crustal magnetic field; and 3) Proton aurora from the limb brightening of Lyman-α emission. MAVEN's Solar Energetic Particle (SEP) instrument has shown the diffuse aurora to be coincident with outbursts of solar energetic particles and disturbed solar wind and magnetospheric conditions. MAVEN Particle and Fields Package (PFP) Solar Wind Ion Analyzer (SWIA) has shown the limb brightening of Lyman-α to correlate with increased upstream solar wind dynamic pressure as associated with increased penetrating protons. So far a conclusive explanation for the discrete aurora has yet to be determined. This study aims to explore the plasma processes related to discrete Martian aurora in greater detail by presenting an overview of PFP measurements during orbits when IUVS observed discrete aurora at Mars. Initial observations from orbit 1600 of MAVEN has shown the almost side-by-side occurrence of a crustal magnetic field associated current sheet measured by MAVEN's Magnetometer Investigation (MAG) near the Mars terminator and IUVS limb observations of discrete aurora in Mars shadow (similar co-latitudes but separated by nearly 1800 km across longitude). This study includes further analysis of magnetic field current sheets and the particle acceleration/energization to investigate the space plasma processes involved in discrete aurora at Mars.

A Versatile Class of Cell Surface Directional Motors Gives Rise to Gliding Motility and Sporulation in Myxococcus xanthus

PubMed Central

Wartel, Morgane; Czerwinski, Fabian; Le Gall, Anne-Valérie; Mauriello, Emilia M. F.; Bergam, Ptissam; Brun, Yves V.; Shaevitz, Joshua; Mignot, Tâm

2013-01-01

Eukaryotic cells utilize an arsenal of processive transport systems to deliver macromolecules to specific subcellular sites. In prokaryotes, such transport mechanisms have only been shown to mediate gliding motility, a form of microbial surface translocation. Here, we show that the motility function of the Myxococcus xanthus Agl-Glt machinery results from the recent specialization of a versatile class of bacterial transporters. Specifically, we demonstrate that the Agl motility motor is modular and dissociates from the rest of the gliding machinery (the Glt complex) to bind the newly expressed Nfs complex, a close Glt paralogue, during sporulation. Following this association, the Agl system transports Nfs proteins directionally around the spore surface. Since the main spore coat polymer is secreted at discrete sites around the spore surface, its transport by Agl-Nfs ensures its distribution around the spore. Thus, the Agl-Glt/Nfs machineries may constitute a novel class of directional bacterial surface transporters that can be diversified to specific tasks depending on the cognate cargo and machinery-specific accessories. PMID:24339744

Railroad system of Texas: A component of the state and national transportation infrastructure. Research report, September 1996--November 1998

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roop, S.S.; Warner, J.E.; Rosa, D.

1998-11-01

Railroads continue to play an important role in the Texas transportation system. This study addresses the potential for implementing a rail planning process in the Texas Department of Transportation. The study is documented in three reports, produced in coordinated and parallel efforts by the Center for Transportation Research and the Texas Transportation Institute. This report documents the work performed by TTI, whereby a rail planning framework is presented which formalizes the planning process and presents the key elements as a series of discrete and logical steps. These steps may be used to guide TxDOT in the formation of goals, identificationmore » of issues and affected parties, selection of appropriate analytical methodologies, location of data sources, and implementation of results. The report also presents an in-depth discussion of several key issues facing transportation agencies. These include rail line abandonment, intermodal service planning, and urban rail rationalization. A discussion of the Texas rail system covers the Class 1 railroads, shortline railroads, Amtrak, and the Mexican rail system.« less

ABCG-like transporter of Trypanosoma cruzi involved in benznidazole resistance: gene polymorphisms disclose inter-strain intragenic recombination in hybrid isolates.

PubMed

Franco, Jaques; Ferreira, Renata C; Ienne, Susan; Zingales, Bianca

2015-04-01

Benznidazole (BZ) is one of the two drugs for Chagas disease treatment. In a previous study we showed that the Trypanosoma cruzi ABCG-like transporter gene, named TcABCG1, is over-expressed in parasite strains naturally resistant to BZ and that the gene of TcI BZ-resistant strains exhibited several single nucleotide polymorphisms (SNPs) as compared to the gene of CL Brener BZ-susceptible strain. Here we report the sequence of TcABCG1 gene of fourteen T. cruzi strains, with diverse degrees of BZ sensitivity and belonging to different discrete typing units (DTUs) and Tcbat group. Although DTU-specific SNPs and amino acid changes were identified, no direct correlation with BZ-resistance phenotype was found. Thus, it is plausible that the transporter abundance is a determinant factor for drug resistance, as pointed out above. Sequence data were used for Bayesian phylogenies and network genealogy analysis. The network showed a high degree of reticulation suggesting genetic exchange between the parasites. TcI and TcII clades were clearly separated. Tcbat sequences were close to TcI. A fourth clade clustered TcABCG1 haplotypes of TcV, TcVI and TcIII strains, with closer proximity to TcI. Analysis of the recombination patterns indicated that hybrid strains contain haplotypes that are mosaics most likely derived by intragenic recombination of parental sequences. The data confirm that TcII and TcIII as the parentals of TcV and TcVI DTUs. Since genetic fingerprint of TcI was found in TcIII, we sustain the previously proposed "Two Hybridization model" for the origin of hybrid strains. Among the twenty best BLASTP hits in databases, orthologues of TcABCG1 transporter were found in Leishmania spp. and African trypanosomes, though their function remains undescribed. Copyright © 2015 Elsevier B.V. All rights reserved.

Development of an Integrated Nonlinear Aeroservoelastic Flight Dynamic Model of the NASA Generic Transport Model

NASA Technical Reports Server (NTRS)

Nguyen, Nhan; Ting, Eric

2018-01-01

This paper describes a recent development of an integrated fully coupled aeroservoelastic flight dynamic model of the NASA Generic Transport Model (GTM). The integrated model couples nonlinear flight dynamics to a nonlinear aeroelastic model of the GTM. The nonlinearity includes the coupling of the rigid-body aircraft states in the partial derivatives of the aeroelastic angle of attack. Aeroservoelastic modeling of the control surfaces which are modeled by the Variable Camber Continuous Trailing Edge Flap is also conducted. The R.T. Jones' method is implemented to approximate unsteady aerodynamics. Simulations of the GTM are conducted with simulated continuous and discrete gust loads..

Design of integrated autopilot/autothrottle for NASA TSRV airplane using integral LQG methodology. [transport systems research vehicle

NASA Technical Reports Server (NTRS)

Kaminer, Isaac; Benson, Russell A.

1989-01-01

An integrated autopilot/autothrottle control system has been developed for the NASA transport system research vehicle using a two-degree-of-freedom approach. Based on this approach, the feedback regulator was designed using an integral linear quadratic regulator design technique, which offers a systematic approach to satisfy desired feedback performance requirements and guarantees stability margins in both control and sensor loops. The resulting feedback controller was discretized and implemented using a delta coordinate concept, which allows for transient free controller switching by initializing all controller states to zero and provides a simple solution for dealing with throttle limiting cases.

Quantum transport in Dirac materials: Signatures of tilted and anisotropic Dirac and Weyl cones

NASA Astrophysics Data System (ADS)

Trescher, Maximilian; Sbierski, Björn; Brouwer, Piet W.; Bergholtz, Emil J.

2015-03-01

We calculate conductance and noise for quantum transport at the nodal point for arbitrarily tilted and anisotropic Dirac or Weyl cones. Tilted and anisotropic dispersions are generic in the absence of certain discrete symmetries, such as particle-hole and lattice point group symmetries. Whereas anisotropy affects the conductance g , but leaves the Fano factor F (the ratio of shot noise power and current) unchanged, a tilt affects both g and F . Since F is a universal number in many other situations, this finding is remarkable. We apply our general considerations to specific lattice models of strained graphene and a pyrochlore Weyl semimetal.

Generation of Complex Karstic Conduit Networks with a Hydro-chemical Model

NASA Astrophysics Data System (ADS)

De Rooij, R.; Graham, W. D.

2016-12-01

The discrete-continuum approach is very well suited to simulate flow and solute transport within karst aquifers. Using this approach, discrete one-dimensional conduits are embedded within a three-dimensional continuum representative of the porous limestone matrix. Typically, however, little is known about the geometry of the karstic conduit network. As such the discrete-continuum approach is rarely used for practical applications. It may be argued, however, that the uncertainty associated with the geometry of the network could be handled by modeling an ensemble of possible karst conduit networks within a stochastic framework. We propose to generate stochastically realistic karst conduit networks by simulating the widening of conduits as caused by the dissolution of limestone over geological relevant timescales. We illustrate that advanced numerical techniques permit to solve the non-linear and coupled hydro-chemical processes efficiently, such that relatively large and complex networks can be generated in acceptable time frames. Instead of specifying flow boundary conditions on conduit cells to recharge the network as is typically done in classical speleogenesis models, we specify an effective rainfall rate over the land surface and let model physics determine the amount of water entering the network. This is advantageous since the amount of water entering the network is extremely difficult to reconstruct, whereas the effective rainfall rate may be quantified using paleoclimatic data. Furthermore, we show that poorly known flow conditions may be constrained by requiring a realistic flow field. Using our speleogenesis model we have investigated factors that influence the geometry of simulated conduit networks. We illustrate that our model generates typical branchwork, network and anastomotic conduit systems. Flow, solute transport and water ages in karst aquifers are simulated using a few illustrative networks.

Development of a 3D Soil-Plant-Atmosphere Continuum (SPAC) coupled to a Land Surface Model

NASA Astrophysics Data System (ADS)

Bisht, G.; Riley, W. J.; Lorenzetti, D.; Tang, J.

2015-12-01

Exchange of water between the atmosphere and biosphere via evapotranspiration (ET) influences global hydrological, energy, and biogeochemical cycles. Isotopic analysis has shown that evapotranspiration over the continents is largely dominated by transpiration. Water is taken up from soil by plant roots, transported through the plant's vascular system, and evaporated from the leaves. Yet current Land Surface Models (LSMs) integrated into Earth System Models (ESMs) treat plant roots as passive components. These models distribute the ET sink vertically over the soil column, neglect the vertical pressure distribution along the plant vascular system, and assume that leaves can directly access water from any soil layer within the root zone. Numerous studies have suggested that increased warming due to climate change will lead drought and heat-induced tree mortality. A more mechanistic treatment of water dynamics in the soil-plant-atmosphere continuum (SPAC) is essential for investigating the fate of ecosystems under a warmer climate. In this work, we describe a 3D SPAC model that can be coupled to a LSM. The SPAC model uses the variably saturated Richards equations to simulate water transport. The model uses individual governing equations and constitutive relationships for the various SPAC components (i.e., soil, root, and xylem). Finite volume spatial discretization and backward Euler temporal discretization is used to solve the SPAC model. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is used to numerically integrate the discretized system of equations. Furthermore, PETSc's multi-physics coupling capability (DMComposite) is used to solve the tightly coupled system of equations of the SPAC model. Numerical results are presented for multiple test problems.

Discrete Dynamical Modeling.

ERIC Educational Resources Information Center

Sandefur, James T.

1991-01-01

Discussed is the process of translating situations involving changing quantities into mathematical relationships. This process, called dynamical modeling, allows students to learn new mathematics while sharpening their algebraic skills. A description of dynamical systems, problem-solving methods, a graphical analysis, and available classroom…

Understanding Municipal Officials' Involvement in Transportation Policies Supportive of Walking and Bicycling.

PubMed

Zwald, Marissa L; Eyler, Amy A; Goins, Karin Valentine; Brownson, Ross C; Schmid, Thomas L; Lemon, Stephenie C

Local transportation policies can impact the built environment and physical activity. Municipal officials play a critical role in transportation policy and planning decisions, yet little is known about what influences their involvement. To describe municipal officials' involvement in transportation policies that were supportive of walking and bicycling and to examine individual- and job-related predictors of involvement in transportation policies among municipal officials. A cross-sectional survey was administered online from June to July 2012 to municipal officials in 83 urban areas with a population of 50 000 or more residents across 8 states. A total of 461 municipal officials from public health, planning, transportation, public works, community and economic development, parks and recreation, city management, and municipal legislatures responded to the survey. Participation in the development, adoption, or implementation of a municipal transportation policy supportive of walking or bicycling. Multivariate logistic regression analyses, conducted in September 2013, revealed that perceived importance of economic development and traffic congestion was positively associated with involvement in a municipal transportation policy (odds ratio [OR] = 1.32, 95% confidence interval [CI] = 1.02-1.70; OR = 1.59, 95% CI = 1.26-2.01, respectively). Higher perceived resident support of local government to address economic development was associated with an increased likelihood of participation in a transportation policy (OR = 1.70, 95% CI = 1.24-2.32). Respondents who perceived lack of collaboration as a barrier were less likely to be involved in a transportation policy (OR = 0.78, 95% CI = 0.63-0.97). Municipal officials who lived in the city or town in which they worked were significantly more likely to be involved in a transportation policy (OR = 1.83, 95% CI = 1.05-3.17). Involvement in a local transportation policy by a municipal official was associated with greater perceived importance of economic development and traffic congestion in job responsibilities, greater perceived resident support of local government to address economic development, and residence of the municipal official. Lack of collaboration represented a barrier to local transportation policy participation.

A novel consistent and well-balanced algorithm for simulations of multiphase flows on unstructured grids

NASA Astrophysics Data System (ADS)

Patel, Jitendra Kumar; Natarajan, Ganesh

2017-12-01

We discuss the development and assessment of a robust numerical algorithm for simulating multiphase flows with complex interfaces and high density ratios on arbitrary polygonal meshes. The algorithm combines the volume-of-fluid method with an incremental projection approach for incompressible multiphase flows in a novel hybrid staggered/non-staggered framework. The key principles that characterise the algorithm are the consistent treatment of discrete mass and momentum transport and the similar discretisation of force terms appearing in the momentum equation. The former is achieved by invoking identical schemes for convective transport of volume fraction and momentum in the respective discrete equations while the latter is realised by representing the gravity and surface tension terms as gradients of suitable scalars which are then discretised in identical fashion resulting in a balanced formulation. The hybrid staggered/non-staggered framework employed herein solves for the scalar normal momentum at the cell faces, while the volume fraction is computed at the cell centroids. This is shown to naturally lead to similar terms for pressure and its correction in the momentum and pressure correction equations respectively, which are again treated discretely in a similar manner. We show that spurious currents that corrupt the solution may arise both from an unbalanced formulation where forces (gravity and surface tension) are discretised in dissimilar manner and from an inconsistent approach where different schemes are used to convect the mass and momentum, with the latter prominent in flows which are convection-dominant with high density ratios. Interestingly, the inconsistent approach is shown to perform as well as the consistent approach even for high density ratio flows in some cases while it exhibits anomalous behaviour for other scenarios, even at low density ratios. Using a plethora of test problems of increasing complexity, we conclusively demonstrate that the consistent transport and balanced force treatment results in a numerically stable solution procedure and physically consistent results. The algorithm proposed in this study qualifies as a robust approach to simulate multiphase flows with high density ratios on unstructured meshes and may be realised in existing flow solvers with relative ease.

Hierarchical interactions between Fnr orthologs allows fine-tuning of transcription in response to oxygen in Herbaspirillum seropedicae

PubMed Central

Batista, Marcelo Bueno; Chandra, Govind; Monteiro, Rose Adele; de Souza, Emanuel Maltempi; Dixon, Ray

2018-01-01

Abstract Bacteria adjust the composition of their electron transport chain (ETC) to efficiently adapt to oxygen gradients. This involves differential expression of various ETC components to optimize energy generation. In Herbaspirillum seropedicae, reprogramming of gene expression in response to oxygen availability is controlled at the transcriptional level by three Fnr orthologs. Here, we characterised Fnr regulons using a combination of RNA-Seq and ChIP-Seq analysis. We found that Fnr1 and Fnr3 directly regulate discrete groups of promoters (Groups I and II, respectively), and that a third group (Group III) is co-regulated by both transcription factors. Comparison of DNA binding motifs between the three promoter groups suggests Group III promoters are potentially co-activated by Fnr3–Fnr1 heterodimers. Specific interaction between Fnr1 and Fnr3, detected in two-hybrid assays, was dependent on conserved residues in their dimerization interfaces, indicative of heterodimer formation in vivo. The requirements for co-activation of the fnr1 promoter, belonging to Group III, suggest either sequential activation by Fnr3 and Fnr1 homodimers or the involvement of Fnr3–Fnr1 heterodimers. Analysis of Fnr proteins with swapped activation domains provides evidence that co-activation by Fnr1 and Fnr3 at Group III promoters optimises interactions with RNA polymerase to fine-tune transcription in response to prevailing oxygen concentrations. PMID:29529262