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Sample records for 2d numerical study

  1. Numerical and experimental study of gas flows in 2D and 3D microchannels

    NASA Astrophysics Data System (ADS)

    Guo, Xiaohui; Huang, Chihyung; Alexeenko, Alina; Sullivan, John

    2008-02-01

    In the experiments conducted at Purdue, the air flow in rectangular cross-section microchannels was investigated using pressure sensitive paint. The high resolution pressure measurements were obtained for inlet-to-outlet pressure ratios from 1.76 to 20 with the outlet Knudsen numbers in the range from 0.003 to 0.4 based on the hydraulic diameter of 151.7 µm and the length-to-height ratio of about 50. In the slip flow regime, the air flow was simulated by the 2D and 3D Navier-Stokes equations with no-slip and slip boundary conditions. For various pressure ratios, the entrance flow development, compressibility and rarefaction effects were observed in both experiments and numerical simulations. It was found that the accurate modeling of gas flows in finite-length channels requires the inlet and outlet reservoirs to be included in computations. Effects of entrance geometry on the friction factor were studied for 3D cases. In both experiments and numerical modeling, significant pressure drop was found starting at the inlet chamber. The numerical modeling also predicted an apparent temperature drop at the channel exit.

  2. 2D Numerical simulations of intraoceanic subduction: the case study of the Ligurian Alps.

    NASA Astrophysics Data System (ADS)

    Malatesta, Cristina; Gerya, Taras; Federico, Laura; Scambelluri, Marco; Crispini, Laura; Capponi, Giovanni

    2010-05-01

    Intraoceanic subduction is an important part of the present and past subduction systems, and some features of such process are not yet fully understood. We therefore studied intraoceanic subduction zones with the help of 2D numerical models, analyzing the parameters influencing their evolution in time and space. We applied the finite differences method on a rectangular grid, to calculate properties such as pressure, temperatures and velocities inside the models solving a set of equations. The latter comprise the Stokes equation of motion, the continuity equation and the heat transport equation. Temperature and velocities are computed on the nodes of the grid whereas pressures are calculated for the geometrical centers of the cells. We defined material properties such as density or viscosity on marker points, initially positioned on a regular rectangular grid. The markers and therefore the material properties are moved through the mesh according to the velocity field using the forth order Runge-Kutta method (Gerya et al. 2002). Subduction is forced to begin at a weak zone in the lithospheric mantle within an oceanic basin of prescribed width. The effect of different arrangements of rock bodies inside the subducting lithosphere on the evolution of the process was carefully analyzed. In particular we reproduced two distinct structures of the oceanic lithosphere: i) the layered oceanic crust made up of a stratified succession typical of fast-spreading ridges and ii) the oceanic lithosphere typical of slow and ultra-slow spreading centers, where an incomplete sequence is observable. The latter structure lacks a sheeted dike complex, has a low volume of gabbros and basalts and gabbros form discrete intrusions in variably serpentinized peridotites (Lagabrielle et al., 1997; Mével, 2003). Such an "heterogeneous" structure is characteristic of the Alpine and Appennine ophiolites that characterized the Mesozoic Ligurian Tethys located between Europe and Adria. The depth of

  3. Numerical studies of the melting transition in 2D Yukawa systems

    SciTech Connect

    Hartmann, P.; Donko, Z.; Kalman, G. J.

    2008-09-07

    We present the latest results of our systematic studies of the solid--liquid phase transition in 2D classical many-particle systems interacting with the Yukawa potential. Our previous work is extended by applying the molecular dynamic simulations to systems with up to 1.6 million particles in the computational box (for {kappa} = 2 case). Equilibrium simulations are performed for different coupling parameters in the vicinity of the expected melting transition ({gamma}{sub m}{sup {kappa}}{sup ={sup 2}}{approx_equal}415) and a wide range of observables are averaged over uncorrelated samples of the micro-canonical ensemble generated by the simulations.

  4. Numerical Evaluation of 2D Ground States

    NASA Astrophysics Data System (ADS)

    Kolkovska, Natalia

    2016-02-01

    A ground state is defined as the positive radial solution of the multidimensional nonlinear problem \\varepsilon propto k_ bot 1 - ξ with the function f being either f(u) =a|u|p-1u or f(u) =a|u|pu+b|u|2pu. The numerical evaluation of ground states is based on the shooting method applied to an equivalent dynamical system. A combination of fourth order Runge-Kutta method and Hermite extrapolation formula is applied to solving the resulting initial value problem. The efficiency of this procedure is demonstrated in the 1D case, where the maximal difference between the exact and numerical solution is ≈ 10-11 for a discretization step 0:00025. As a major application, we evaluate numerically the critical energy constant. This constant is defined as a functional of the ground state and is used in the study of the 2D Boussinesq equations.

  5. A numerical study of 2D detonation waves with adaptive finite volume methods on unstructured grids

    NASA Astrophysics Data System (ADS)

    Hu, Guanghui

    2017-02-01

    In this paper, a framework of adaptive finite volume solutions for the reactive Euler equations on unstructured grids is proposed. The main ingredients of the algorithm include a second order total variation diminishing Runge-Kutta method for temporal discretization, and the finite volume method with piecewise linear solution reconstruction of the conservative variables for the spatial discretization in which the least square method is employed for the reconstruction, and weighted essentially nonoscillatory strategy is used to restrain the potential numerical oscillation. To resolve the high demanding on the computational resources due to the stiffness of the system caused by the reaction term and the shock structure in the solutions, the h-adaptive method is introduced. OpenMP parallelization of the algorithm is also adopted to further improve the efficiency of the implementation. Several one and two dimensional benchmark tests on the ZND model are studied in detail, and numerical results successfully show the effectiveness of the proposed method.

  6. Numerical and experimental studies of the elastic enhancement factor of 2D open systems

    NASA Astrophysics Data System (ADS)

    Sirko, Leszek; Białous, Małgorzata; Yunko, Vitalii; Bauch, Szymon; Ławniczak, Michał

    We present the results of numerical and experimental studies of the elastic enhancement factor W for microwave rough and rectangular cavities simulating two-dimensional chaotic and partially chaotic quantum billiards in the presence of moderate absorption strength. We show that for the frequency range ν = 15 . 0 - 18 . 5 GHz, in which the coupling between antennas and the system is strong enough, the values of W for the microwave rough cavity lie below the predictions of random matrix theory and on average they are above the theoretical results of V. Sokolov and O. Zhirov, Phys. Rev. E, 91, 052917 (2015). We also show that the enhancement factor W of a microwave rectangular cavity coupled to the external channels via microwave antennas, simulating a partially chaotic quantum billiard, calculated by applying the Potter-Rosenzweig model with κ = 2 . 8 +/- 0 . 5 is close to the experimental one. Our numerical and experimental results suggest that the enhancement factor can be used as a measure of internal chaos which can be especially useful for systems with significant openness or absorption. This work was partially supported by the Ministry of Science and Higher Education Grants N N202 130239 and UMO-2013/09/D/ST2/03727.

  7. 2D numerical modeling of ultrasonic wave propagation in concrete: A parameterization study in a multiple-scattering medium

    NASA Astrophysics Data System (ADS)

    Yu, Ting; Chaix, Jean-François; Komatitsch, Dimitri; Garnier, Vincent; Audibert, Lorenzo; Henault, Jean-Marie

    2017-02-01

    Multiple scattering is important when ultrasounds propagate in a heterogeneous medium such as concrete, the scatterer size of which is in the order of the wavelength. The aim of this work is to build a 2D numerical model of ultrasonic wave propagation integrating the multiple scattering phenomena in SPECFEM software. The coherent field of multiple scattering could be obtained by averaging numerical wave fields, and it is used to determine the effective phase velocity and attenuation corresponding to an equivalent homogeneous medium. After the creation of numerical model under several assumptions, its validation is completed in a case of scattering by one cylinder through the comparison with analytical solution. Two cases of multiple scattering by a set of cylinders at different concentrations are simulated to perform a parametric study (of frequency, scatterer concentration, scatterer size). The effective properties are compared with the predictions of Waterman-Truell model as well, to verify its validity.

  8. Numerical studies of gravity destabilized percolation in 2D porous media

    NASA Astrophysics Data System (ADS)

    Bo, Z.; Loggia, D.; Xiaorong, L.; Vasseur, G.; Ping, H.

    2006-04-01

    Two dimensional simulations of percolation are realized on square networks of pore throats with a random capillary pressure distribution. We analyse the influence of a destabilizing gravity field (g) and of the standard deviation of the distribution of the capillary pressure thresholds (Wt). The fragmentation process is not taken into account in this study. For an increase of g or/and when Wt decreases, two transitions are analyzed with three different regimes displacement patterns: Invasion percolation, invasion percolation in a gradient, and invasion in a pure gradient. The transitions are controlled both by the ratio g/Wt and by the sample size (L). A scaling law between the saturation at the percolation threshold and g/Wt allows delineating the three regimes in agreement with theoretical argument of the percolation in a gradient.

  9. Numerical Study of Turbulence Model Predictions for the MD 30P/30N and NHLP-2D Three-Element Highlift Configurations

    NASA Technical Reports Server (NTRS)

    Morrison, Joseph H.

    1998-01-01

    This report details calculations for the McDonnell-Douglas 30P/30N and the NHLP-2D three-element highlift configurations. Calculations were performed with the Reynolds averaged Navier-Stokes code ISAAC to study the effects of various numerical issues on high lift predictions. These issues include the effect of numerical accuracy on the advection terms of the turbulence equations, Navier-Stokes versus the thin-layer Navier-Stokes approximation, an alternative formulation of the production term, and the performance of several turbulence models. The effect of the transition location on the NHLP-2D flow solution was investigated. Two empirical transition models were used to estimate the transition location.

  10. 2D Numerical MHD Models of Solar Explosive Events

    NASA Astrophysics Data System (ADS)

    Roussev, I.

    2001-10-01

    Observations of the Sun reveal a great variety of dynamic phenomena interpretable as a manifestation of magnetic reconnection. These range from small-scale 'Explosive events' seen in the 'quiet' Sun, through violent flares observed in active regions. The high degree of complexity of the magnetic field inferred from observations may locally produce a fruitful environment for the process of magnetic reconnection to take place. Explosive events are associated with regions undergoing magnetic flux cancellation. This thesis presents a 2-dimensional (2D) numerical study devoted to explore the idea that the salient spectral signatures seen in explosive events are most probably caused by bi-directional outflow jets as a results of an ongoing magnetic reconnection. In order to provide qualitative results needed for the better physical interpretation of solar explosive events, several models intended to represent a 'quiet' Sun transition of solar explosive events, several models intended to represent a 'quiet' Sun transition region undergoing magnetic reconnection are examined, in both unstratified and gravitationally stratified atmospheres. The magnetic reconnection is initiated in an ad hoc manner, and the dynamic evolution is followed by numerically solving the equations of 2D dissipative magnetohydrodynamics (MHD), including the effects of field-aligned thermal conduction, radiative losses, volumetric heating, and anomalous resistivity.

  11. Effect of radiative transfer of heat released from combustion reaction on temperature distribution: A numerical study for a 2-D system

    NASA Astrophysics Data System (ADS)

    Zhou, Huai-Chun; Ai, Yu-Hua

    2006-09-01

    Both light and heat are produced during a chemical reaction in a combustion process, but traditionally all the energy released is taken as to be transformed into the internal energy of the combustion medium. So the temperature of the medium increases, and then the thermal radiation emitted from it increases too. Chemiluminescence is generated during a chemical reaction and independent of the temperature, and has been used widely for combustion diagnostics. It was assumed in this paper that the total energy released in a combustion reaction is divided into two parts, one part is a self-absorbed heat, and the other is a directly emitted heat. The former is absorbed immediately by the products, becomes the internal energy and then increases the temperature of the products as treated in the traditional way. The latter is emitted directly as radiation into the combustion domain and should be included in the radiation transfer equation (RTE) as a part of radiation source. For a simple, 2-D, gray, emitting absorbing, rectangular system, the numerical study showed that the temperatures in reaction zones depended on the fraction of the directly emitted energy, and the smaller the gas absorption coefficient was, the more strong the dependence appeared. Because the effect of the fraction of the directly emitted heat on the temperature distribution in the reacting zones for gas combustion is significant, it is required to conduct experimental measurements to determine the fraction of self-absorbed heat for different combustion processes.

  12. 2D and 3D Numerical Simulations of Flux Cancellation

    NASA Technical Reports Server (NTRS)

    Karpen, Judith T.; DeVore, C.; Antiochos, S. K.; Linton, M. G.

    2009-01-01

    Cancellation of magnetic flux in the solar photosphere and chromosphere has been linked observationally and theoretically to a broad range of solar activity, from filament channel formation to CME initiation. Because this phenomenon is typically measured at only a single layer in the atmosphere, in the radial (line of sight) component of the magnetic field, the actual processes behind this observational signature are ambiguous. It is clear that reconnection is involved in some way, but the location of the reconnection sites and associated connectivity changes remain uncertain in most cases. We are using numerical modeling to demystify flux cancellation, beginning with the simplest possible configuration: a subphotospheric Lundquist flux tube surrounded by a potential field, immersed in a gravitationally stratified atmosphere, spanning many orders of magnitude in plasma beta. In this system, cancellation is driven slowly by a 2-cell circulation pattern imposed in the convection zone, such that the tops of the cells are located around the beta=1 level (i.e., the photosphere) and the flows converge and form a downdraft at the polarity inversion line; note however that no flow is imposed along the neutral line. We will present the results of 2D and 3D MHD-AMR simulations of flux cancellation, in which the flux at the photosphere begins in either an unsheared or sheared state. In all cases, a low-lying flux rope is formed by reconnection at the polarity inversion line within a few thousand seconds. The flux rope remains stable and does not rise, however, in contrast to models which do not include the presence of significant mass loading.

  13. Advantages of 3D FEM numerical modeling over 2D, analyzed in a case study of transient thermal-hydraulic groundwater utilization

    NASA Astrophysics Data System (ADS)

    Fuchsluger, Martin; Götzl, Gregor

    2014-05-01

    In general most aquifers have a much larger lateral extent than vertical. This fact leads to the application of the Dupuit-Forchheimer assumptions to many groundwater problems, whereas a two dimensional simulation is considered sufficient. By coupling transient fluid flow modeling with heat transport the 2D aquifer approximation is in many cases insufficient as it does not consider effects of the subjacent and overlying aquitards on heat propagation as well as the impact of surface climatic effects on shallow aquifers. A shallow Holocene aquifer in Vienna served as a case study to compare different modeling approaches in two and three dimensions in order to predict the performance and impact of a thermal aquifer utilization for heating (1.3 GWh) and cooling (1.4 GWh) of a communal building. With the assumption of a 6 doublets well field, the comparison was realized in three steps: At first a two dimensional model for unconfined flow was set up, assuming a varying hydraulic conductivity as well as a varying top and bottom elevation of the aquifer (gross - thickness). The model area was chosen along constant hydraulic head at steady state conditions. A second model was made by mapping solely the aquifer in three dimensions using the same subdomain and boundary conditions as defined in step one. The third model consists of a complete three dimensional geological build-up including the aquifer as well as the overlying and subjacent layers and additionally an annually variable climatic boundary condition at the surface. The latter was calibrated with measured water temperature at a nearby water gauge. For all three models the same annual operating mode of the 6 hydraulic doublets was assumed. Furthermore a limited maximal groundwater temperature at a range between 8 and 18 °C as well as a constrained well flow rate has been given. Finally a descriptive comparison of the three models concerning the extracted thermal power, drawdown, temperature distribution and Darcy

  14. Numerical simulation of rock cutting using 2D AUTODYN

    NASA Astrophysics Data System (ADS)

    Woldemichael, D. E.; Rani, A. M. Abdul; Lemma, T. A.; Altaf, K.

    2015-12-01

    In a drilling process for oil and gas exploration, understanding of the interaction between the cutting tool and the rock is important for optimization of the drilling process using polycrystalline diamond compact (PDC) cutters. In this study the finite element method in ANSYS AUTODYN-2D is used to simulate the dynamics of cutter rock interaction, rock failure, and fragmentation. A two-dimensional single PDC cutter and rock model were used to simulate the orthogonal cutting process and to investigate the effect of different parameters such as depth of cut, and back rake angle on two types of rocks (sandstone and limestone). In the simulation, the cutting tool was dragged against stationary rock at predetermined linear velocity and the depth of cut (1,2, and 3 mm) and the back rake angles(-10°, 0°, and +10°) were varied. The simulation result shows that the +10° back rake angle results in higher rate of penetration (ROP). Increasing depth of cut leads to higher ROP at the cost of higher cutting force.

  15. Numerical 2D-modeling of multiroll leveling

    NASA Astrophysics Data System (ADS)

    Mathieu, N.; Potier-Ferry, M.; Zahrouni, H.

    2016-10-01

    Multiroll leveling is a forming process used in the metals industries (aluminum, steel, …) in order to correct flatness defects and minimize residual stresses in strips thanks to alternating bending. This work proposes a Finite Element 2D model to simulate the metal sheet conveying through the machine. Obtained results (plastic strain and residual stress distributions through thickness) are analysed. Strip deformation, after elastic springback and potential buckling, is also predicted (residual curvatures).

  16. Numerical modelling of spallation in 2D hydrodynamics codes

    NASA Astrophysics Data System (ADS)

    Maw, J. R.; Giles, A. R.

    1996-05-01

    A model for spallation based on the void growth model of Johnson has been implemented in 2D Lagrangian and Eulerian hydrocodes. The model has been extended to treat complete separation of material when voids coalesce and to describe the effects of elevated temperatures and melting. The capabilities of the model are illustrated by comparison with data from explosively generated spall experiments. Particular emphasis is placed on the prediction of multiple spall effects in weak, low melting point, materials such as lead. The correlation between the model predictions and observations on the strain rate dependence of spall strength is discussed.

  17. FLAC/SPECFEM2D coupled numerical simulation of wavefields near excavation boundaries in underground mines

    NASA Astrophysics Data System (ADS)

    Wang, X.; Cai, M.

    2016-11-01

    A nonlinear velocity model that considers the influence of confinement and rock mass failure on wave velocity is developed. A numerical method, which couples FLAC and SPECFEM2D, is developed for ground motion modeling near excavation boundaries in underground mines. The motivation of developing the FLAC/SPECFEM2D coupled approach is to take merits of each code, such as the stress analysis capability in FLAC and the powerful wave propagation analysis capability in SPECFEM2D. Because stress redistribution and failure of the rock mass around an excavation are considered, realistic non-uniform velocity fields for the SPECFEM2D model can be obtained, and this is a notable feature of this study. Very large differences in wavefields and ground motion are observed between the results from the non-uniform and the uniform velocity models. If the non-uniform velocity model is used, the ground motion around a stope can be amplified up to five times larger than that given by the design scaling law. If a uniform velocity model is used, the amplification factor is only about three. Using the FLAC/SPECFEM2D coupled modeling approach, accurate velocity models can be constructed and this in turn will assist in predicting ground motions accurately around underground excavations.

  18. Resistivity inversion in 2-D anisotropic media: numerical experiments

    NASA Astrophysics Data System (ADS)

    Wiese, Timothy; Greenhalgh, Stewart; Zhou, Bing; Greenhalgh, Mark; Marescot, Laurent

    2015-04-01

    Many rocks and layered/fractured sequences have a clearly expressed electrical anisotropy although it is rare in practice to incorporate anisotropy into resistivity inversion. In this contribution, we present a series of 2.5-D synthetic inversion experiments for various electrode configurations and 2-D anisotropic models. We examine and compare the image reconstructions obtained using the correct anisotropic inversion code with those obtained using the false but widely used isotropic assumption. Superior reconstruction in terms of reduced data misfit, true anomaly shape and position, and anisotropic background parameters were obtained when the correct anisotropic assumption was employed for medium to high coefficients of anisotropy. However, for low coefficient values the isotropic assumption produced better-quality results. When an erroneous isotropic inversion is performed on medium to high level anisotropic data, the images are dominated by patterns of banded artefacts and high data misfits. Various pole-pole, pole-dipole and dipole-dipole data sets were investigated and evaluated for the accuracy of the inversion result. The eigenvalue spectra of the pseudo-Hessian matrix and the formal resolution matrix were also computed to determine the information content and goodness of the results. We also present a data selection strategy based on high sensitivity measurements which drastically reduces the number of data to be inverted but still produces comparable results to that of the comprehensive data set. Inversion was carried out using transversely isotropic model parameters described in two different co-ordinate frames for the conductivity tensor, namely Cartesian versus natural or eigenframe. The Cartesian frame provided a more stable inversion product. This can be simply explained from inspection of the eigenspectra of the pseudo-Hessian matrix for the two model descriptions.

  19. Improvement of a 2D numerical model of lava flows

    NASA Astrophysics Data System (ADS)

    Ishimine, Y.

    2013-12-01

    I propose an improved procedure that reduces an improper dependence of lava flow directions on the orientation of Digital Elevation Model (DEM) in two-dimensional simulations based on Ishihara et al. (in Lava Flows and Domes, Fink, JH eds., 1990). The numerical model for lava flow simulations proposed by Ishihara et al. (1990) is based on two-dimensional shallow water model combined with a constitutive equation for a Bingham fluid. It is simple but useful because it properly reproduces distributions of actual lava flows. Thus, it has been regarded as one of pioneer work of numerical simulations of lava flows and it is still now widely used in practical hazard prediction map for civil defense officials in Japan. However, the model include an improper dependence of lava flow directions on the orientation of DEM because the model separately assigns the condition for the lava flow to stop due to yield stress for each of two orthogonal axes of rectangular calculating grid based on DEM. This procedure brings a diamond-shaped distribution as shown in Fig. 1 when calculating a lava flow supplied from a point source on a virtual flat plane although the distribution should be circle-shaped. To improve the drawback, I proposed a modified procedure that uses the absolute value of yield stress derived from both components of two orthogonal directions of the slope steepness to assign the condition for lava flows to stop. This brings a better result as shown in Fig. 2. Fig. 1. (a) Contour plots calculated with the original model of Ishihara et al. (1990). (b) Contour plots calculated with a proposed model.

  20. A numerical study of steady 2D flow around NACA 0015 and NACA 0012 hydrofoil with free surface using VOF method

    NASA Astrophysics Data System (ADS)

    Adjali, Saadia; Belkadi, Mustapha; Aounallah, Mohammed; Imine, Omar

    2015-05-01

    Accurate simulation of turbulent free surface flows around surface ships has a central role in the optimal design of such naval vessels. The flow problem to be simulated is rich in complexity and poses many modeling challenges because of the existence of breaking waves around the ship hull, and because of the interaction of the two-phase flow with the turbulent boundary layer. In this paper, our goal is to estimate the lift and drag coefficients for NACA 0012 of hydrofoil advancing in calm water under steady conditions with free surface and emerged NACA 0015. The commercial CFD software FLUENT version 14 is used for the computations in the present study. The calculated grid is established using the code computer GAMBIT 2.3.26.The shear stress k-ωSST model is used for turbulence modeling and the volume of fluid technique is employed to simulate the free-surface motion. In this computation, the second order upwind scheme is used for discretizing the convection terms in the momentum transport equations, the Modified HRIC scheme for VOF discretisation. The results obtained compare well with the experimental data.

  1. Towards more realistic 2D & 3D numerical models of Earth's mantle

    NASA Astrophysics Data System (ADS)

    Ghias, Sanaz

    2011-12-01

    There are a number of simplifying assumptions in modeling Earth's deep interior. These are mostly simplifying assumptions that make the mathematics simpler either for less complicated modeling or for numerical efficiency purposes. The aim of this study is to investigate the effects of some of these simplifying assumptions on 2D and 3D mantle convection models. In particular, the cases with variable coefficients of thermal expansion, alpha, and the inclusion of mineral phase transitions and viscosity stratification have been studied. The coefficient of thermal expansion is temperature- and depth-dependent in Earth. But for simplicity, it has been considered as constant in most mantle convection models and only depth-dependent in others. 2D mantle convection models (2D Cartesian and 2D cylindrical) have been created based on an existing model from Jarvis [1992] to investigate the effects of temperature- and depth-dependent alpha on mantle convection compared with the simplified cases. Also an existing version of a 3D parallel mantle convection model, MC3D, from Lowman et al. [2001] have been modified to include the temperature- and depth-dependent alpha. In the 3D study it has also been investigated that how the effects of temperature- and depth-dependent alpha vary with or without lithospheric plates. There are at least two mineral phase transitions in Earth. There is an exothermic phase boundary at 410km below the surface and an endothermic phase boundary at 660km below the surface. For simplicity, most mantle convection models do not consider any of the phase boundaries. Some consider only the endothermic phase boundary. A 2D cylindrical model from Shahnas and Jarvas [2005] has been employed to investigate the effects of considering both phase boundaries compared to models with either no, or one, phase boundary. Different viscosity stratifications have been used in addition to the phase boundaries.

  2. A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

    SciTech Connect

    Li, Tingwen; Zhang, Yongmin

    2013-10-11

    Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve the 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.

  3. Numerical Simulation of Slinger Combustor Using 2-D Axisymmetric Computational Model

    NASA Astrophysics Data System (ADS)

    Lee, Semin; Park, Soo Hyung; Lee, Donghun

    2010-06-01

    Small-size turbojet engines have difficulties in maintaining the chemical reaction due to the limitation of chamber size. The combustion chamber is generally designed to improve the reaction efficiency by the generation of vortices in the chamber and to enhance air-fuel mixing characteristics. In the initial stage of designing the combustor, analysis of the 3-D full configuration is not practical due to the huge time consuming computation and grid generation followed by modifications of the geometry. In the present paper, an axisymmetric model maintaining geometric similarity and flow characteristic of 3-D configuration is developed. Based on numerical results from the full 3-D configuration, model reduction is achieved toward 2-D axisymmetric configuration. In the modeling process, the area and location of each hole in 3-D full configuration are considered reasonably and replaced to the 2-D axisymmetric model. By using the 2-D axisymmetric model, the factor that can affect the performance is investigated with the assumption that the flow is non-reacting and turbulent. Numerical results from the present model show a good agreement with numerical results from 3-D full configuration model such as existence of vortex pair in forward region and total pressure loss. By simplifying the complex 3-D model, computing time can be remarkably reduced and it makes easy to find effects of geometry modification.

  4. Modelling 2001 lahars at Popocatépetl volcano using FLO2D numerical code

    NASA Astrophysics Data System (ADS)

    Caballero, L.; Capra, L.

    2013-12-01

    Popocatépetl volcano is located on the central part of the Transmexican Volcanic Belt. It is one of the most active volcanoes in Mexico and endanger more than 25 million people that lives in its surroundings. In the last months, the renewal of its volcanic activity put into alert scientific community. One of the possible scenarios is the 2001 explosive activity, which was characterized by a 8 km eruptive column and the subsequent formation of pumice flows up to 4 km from the crater. Lahars were generated few hours after, remobilizing the new deposits towards NE flank of the volcano, along Huiloac Gorge, almost reaching Santiago Xalitzintla town (Capra et al., 2004). The occurrence of a similar scenario makes very important to reproduce this event to delimitate accurately lahar hazard zones. In this work, 2001 lahar deposit is modeled using FLO2D numerical code. Geophone data is used to reconstruct initial hydrograph and sediment concentration. Sensitivity study of most important parameters used by this code like Manning, and α and β coefficients was conducted in order to achieve a good simulation. Results obtained were compared with field data and demonstrated a good agreement in thickness and flow distribution. A comparison with previously published data with laharZ program (Muñoz-Salinas, 2009) is also made. Additionally, lahars with fluctuating sediment concentrations but with similar volume are simulated to observe the influence of the rheological behavior on lahar distribution.

  5. A 2D strain estimator with numerical optimization method for soft-tissue elastography.

    PubMed

    Liu, Ke; Zhang, Pengfei; Shao, Jinhua; Zhu, Xinjian; Zhang, Yun; Bai, Jing

    2009-12-01

    Elastography is a bioelasticity-based imaging modality which has been proved to be a potential evaluation tool to detect the tissue abnormalities. Conventional method for elastography is to estimate the displacement based on cross-correlation technique firstly, then strain profile is calculated as the gradient of the displacement. The main problem of this method arises from the fact that the cross-correlation between pre- and post-compression signals will be decreased because of the signal's compression-to-deformation. It may constrain the estimation of the displacement. Numerical optimization, as an efficient tool to estimate the non-rigid deformation in image registration, has its potential to achieve the elastogram. This paper incorporates the idea of image registration into elastography and proposes a radio frequency (RF) signal registration strain estimator based on the minimization of a cost function using numerical optimization method with Powell algorithm (NOMPA). To evaluate the proposed scheme, the simulation data with a hard inclusion embedded in the homogeneous background is produced for analysis. NOMPA can obtain the displacement profiles and strain profiles simultaneously. When compared with the cross-correlation based method, NOMPA presents better signal-to-noise ratio (SNR, 32.6+/-1.5 dB vs. 23.8+/-1.1 dB) and contrast-to-noise ratio (CNR, 28.8+/-1.8 dB vs. 21.7+/-0.9 dB) in axial normal strain estimation. The in vitro experiment of porcine liver with ethanol-induced lesion is also studied. The statistic results of SNR and CNR indicate that strain profiles by NOMPA performs better anti-noise and target detectability than that by cross-correlation based method. Though NOMPA carry a heavier computational burden than cross-correlation based method, it may be an useful method to obtain 2D strains in elastography.

  6. Direct numerical simulation of a 2D-stented aortic heart valve at physiological flow rates.

    PubMed

    Dimakopoulos, Y; Bogaerds, A C B; Anderson, P D; Hulsen, M A; Baaijens, F P T

    2012-01-01

    We study the nonlinear interaction of an aortic heart valve, composed of hyperelastic corrugated leaflets of finite density attached to a stented vessel under physiological flow conditions. In our numerical simulations, we use a 2D idealised representation of this arrangement. Blood flow is caused by a time-varying pressure gradient that mimics that of the aortic valve and corresponds to a peak Reynolds number equal to 4050. Here, we fully account for the shear-thinning behaviour of the blood and large deformations and contact between the leaflets by solving the momentum and mass balances for blood and leaflets. The mixed finite element/Galerkin method along with linear discontinuous Lagrange multipliers for coupling the fluid and elastic domains is adopted. Moreover, a series of challenging numerical issues such as the finite length of the computational domain and the conditions that should be imposed on its inflow/outflow boundaries, the accurate time integration of the parabolic and hyperbolic momentum equations, the contact between the leaflets and the non-conforming mesh refinement in part of the domain are successfully resolved. Calculations for the velocity and the shear stress fields of the blood reveal that boundary layers appear on both sides of a leaflet. The one along the ventricular side transfers blood with high momentum from the core region of the vessel to the annulus or the sinusoidal expansion, causing the continuous development of flow instabilities. At peak systole, vortices are convected in the flow direction along the annulus of the vessel, whereas during the closure stage of the valve, an extremely large vortex develops in each half of the flow domain.

  7. 2D vs. 3D mammography observer study

    NASA Astrophysics Data System (ADS)

    Fernandez, James Reza F.; Hovanessian-Larsen, Linda; Liu, Brent

    2011-03-01

    Breast cancer is the most common type of non-skin cancer in women. 2D mammography is a screening tool to aid in the early detection of breast cancer, but has diagnostic limitations of overlapping tissues, especially in dense breasts. 3D mammography has the potential to improve detection outcomes by increasing specificity, and a new 3D screening tool with a 3D display for mammography aims to improve performance and efficiency as compared to 2D mammography. An observer study using a mammography phantom was performed to compare traditional 2D mammography with this ne 3D mammography technique. In comparing 3D and 2D mammography there was no difference in calcification detection, and mass detection was better in 2D as compared to 3D. There was a significant decrease in reading time for masses, calcifications, and normals in 3D compared to 2D, however, as well as more favorable confidence levels in reading normal cases. Given the limitations of the mammography phantom used, however, a clearer picture in comparing 3D and 2D mammography may be better acquired with the incorporation of human studies in the future.

  8. Studying Zeolite Catalysts with a 2D Model System

    SciTech Connect

    Boscoboinik, Anibal

    2016-12-07

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  9. Brief Communication: 2-D numerical modeling of the transformation mechanism of a braided channel

    NASA Astrophysics Data System (ADS)

    Xiao, Y.; Yang, S. F.; Shao, X.; Chen, W. X.; Xu, X. M.

    2014-05-01

    This paper investigates the controls on the transformation mechanism among different channel patterns. A 2-D depth-averaged numerical model is applied to produce the evolution of channel patterns with complex interactions among water flow, sediment transport, and bank erosion. Changes of the variables as discharge, sediment supply, and vegetation are considered in the numerical experiments, leading to the transformation from a braided pattern into a meandering one. What controls the transformation is discussed with the numerical results: vegetation helps stabilize the cut bank and bar surface, but is not a key in the transition; a decrease in discharge and sediment supply could lead a braided pattern to a meandering one. The conclusion is in agreement with various previous field work, confirming the two dimensional model's potential in predicting the transition between different rivers and improving understanding of patterning processes.

  10. Numerical Simulations of High-Frequency Respiratory Flows in 2D and 3D Lung Bifurcation Models

    NASA Astrophysics Data System (ADS)

    Chen, Zixi; Parameswaran, Shamini; Hu, Yingying; He, Zhaoming; Raj, Rishi; Parameswaran, Siva

    2014-07-01

    To better understand the human pulmonary system and optimize the high-frequency oscillatory ventilation (HFOV) design, numerical simulations were conducted under normal breathing frequency and HFOV condition using a CFD code Ansys Fluent and its user-defined C programs. 2D and 3D double bifurcating lung models were created, and the geometry corresponds to fifth to seventh generations of airways with the dimensions based on the Weibel's pulmonary model. Computations were carried out for different Reynolds numbers (Re = 400 and 1000) and Womersley numbers (α = 4 and 16) to study the air flow fields, gas transportation, and wall shear stresses in the lung airways. Flow structure was compared with experimental results. Both 2D and 3D numerical models successfully reproduced many results observed in the experiment. The oxygen concentration distribution in the lung model was investigated to analyze the influence of flow oscillation on gas transport inside the lung model.

  11. Numerical investigation of 3D effects on a 2D-dominated shocked mixing layer

    NASA Astrophysics Data System (ADS)

    Reese, Daniel; Weber, Christopher

    2016-11-01

    A nominally two-dimensional interface, unstable to the Rayleigh-Taylor or Richtmyer-Meshkov instability, will become three-dimensional at high Reynolds numbers due to the growth of background noise and 3D effects like vortex stretching. This three-dimensionality changes macroscopic features, such as the perturbation growth rate and mixing, as it enhances turbulent dissipation. In this study, a 2D perturbation with small-scale, 3D fluctuations is modeled using the hydrodynamics code Miranda. A Mach 1.95 shockwave accelerates a helium-over-SF6 interface, similar to the experiments of Motl et al. ["Experimental validation of a Richtmyer-Meshkov scaling law over large density ratio and shock strength ranges," Phys. Fluids 21(12), 126102 (2009)], to explore the regime where a 2D dominated flow will experience 3D effects. We report on the structure, growth, and mixing of the post-shocked interface in 2D and 3D.

  12. On craton thinning/destruction: Insight from 2D thermal-mechanical numerical modeling

    NASA Astrophysics Data System (ADS)

    Liao, J.

    2014-12-01

    Although most cratons maintain stable, some exceptions are present, such as the North China craton, North Atlantic craton, and Wyoming craton, which have experienced dramatic lithospheric deformation/thinning. Mechanisms triggering cratonic thinning remains enigmatic [Lee et al., 2011]. Using a 2D thermo-mechanical coupled numerical model [Gerya and Yuen, 2007], we investigate two possible mechanisms: (1) stratification of cratonic lithospheric mantle, and (2) rheological weakening due to hydration.Lithospheric mantle stratification is a common feature in cratonic areas which has been demonstrated by geophysical and geochemical studies [Thybo and Perchuc, 1997; Griffin et al., 2004; Romanowicz, 2009; Rychert and Shearer, 2009; Yuan and Romanowicz, 2010]. The influence of lithospheric mantle stratification during craton evolution remains poorly understood. A rheologically weak layer representing hydrated and/or metasomatized composition is implemented in the lithospheric mantle. Our results show that the weak mantle layer changes the dynamics of lithospheric extension by enhancing the deformation of the overlying mantle and crust and inhibiting deformation of the underlying mantle [Liao et al., 2013; Liao and Gerya, 2014]. Modeling results are compared with North China and North Atlantic cratons. Our work indicates that although the presence of a weak layer may not be sufficient to initiate craton deformation, it enhances deformation by lowering the required extensional plate boundary force. Rheological weakening due to hydration is a possible mechanism triggering/enhancing craton deformation, especially for cratons jaxtaposing with a subduction, since water can release from a subducting slab. We investigate the influence of wet mantle flow laws [Hirth and Kohlstedt, 2003], in which a water parameter (i.e. constant water content) is involved. Our results show that wet dislocation alone does not accelerate cratonic deformation significantly. However, if wet diffusion

  13. Applicability extent of 2-D heat equation for numerical analysis of a multiphysics problem

    NASA Astrophysics Data System (ADS)

    Khawaja, H.

    2017-01-01

    This work focuses on thermal problems, solvable using the heat equation. The fundamental question being answered here is: what are the limits of the dimensions that will allow a 3-D thermal problem to be accurately modelled using a 2-D Heat Equation? The presented work solves 2-D and 3-D heat equations using the Finite Difference Method, also known as the Forward-Time Central-Space (FTCS) method, in MATLAB®. For this study, a cuboidal shape domain with a square cross-section is assumed. The boundary conditions are set such that there is a constant temperature at its center and outside its boundaries. The 2-D and 3-D heat equations are solved in a time dimension to develop a steady state temperature profile. The method is tested for its stability using the Courant-Friedrichs-Lewy (CFL) criteria. The results are compared by varying the thickness of the 3-D domain. The maximum error is calculated, and recommendations are given on the applicability of the 2-D heat equation.

  14. Numerical simulation of turbulent heat transfer past a backward-facing step: 2D/3D RANS versus IDDES solutions

    NASA Astrophysics Data System (ADS)

    Smirnov, E. M.; Smirnovsky, A. A.; Schur, N. A.; Zaitsev, D. K.; Smirnov, P. E.

    2016-09-01

    The contribution covers results of numerical study of air flow and heat transfer past a backward-facing step at the Reynolds number of 28,000. The numerical simulation was carried out under conditions of the experiments of Vogel&Eaton (1985), where nominally 2D fluid dynamics and heat transfer in a channel with expansion ratio of 1.25 was investigated. Two approaches were used for turbulence modelling. First, the Menter SST turbulence model was used to perform refined 2D and 3D RANS steady-state computations. The 3D analysis was undertaken to evaluate effects of boundary layers developing on the sidewalls of the experimental channel. Then, 3D time-dependent computations were carried out using the vortex-resolving IDDES method and applying the spanwise-periodicity conditions. Comparative computations were performed using an in-house finite-volume code SINF/Flag-S and the ANSYS Fluent. The codes produced practically identical RANS solutions, showing in particular a difference of 4% in the central-line peak Stanton number calculated in 2D and 3D cases. The IDDES results obtained with two codes are in a satisfactory agreement. Comparing with the experimental data, the IDDES produces the best agreement for the wall friction, whereas the RANS solutions show superiority in predictions of the local Stanton number distribution.

  15. On numerical solving a rigid inclusions problem in 2D elasticity

    NASA Astrophysics Data System (ADS)

    Rudoy, Evgeny

    2017-02-01

    A 2D elastic problem for a body containing a set of bulk and thin rigid inclusions of arbitrary shapes is considered. It is assumed that rigid inclusions are bonded into elastic matrix. To state the equilibrium problem, a variational approach is used. The problem is formulated as a problem of minimization of the energy functional over the set of admissible displacements. Moreover, it is equivalent to a variational equality which holds for test functions belonging to the subspace of functions with the prescribed rigid displacement structure on the inclusions. We propose a novel algorithm of solving the equilibrium problem. The algorithm is based on reducing the original problem to a system of the Dirichlet and Neumann problems. A numerical examination is carried out to demonstrate the efficiency of the proposed technique.

  16. Studying Zeolite Catalysts with a 2D Model System

    ScienceCinema

    Boscoboinik, Anibal

    2016-12-14

    Anibal Boscoboinik, a materials scientist at Brookhaven’s Center for Functional Nanomaterials, discusses the surface-science tools and 2D model system he uses to study catalysis in nanoporous zeolites, which catalyze reactions in many industrial processes.

  17. Numerical solution of polarization saturation/dielectric breakdown model in 2D finite piezoelectric media

    NASA Astrophysics Data System (ADS)

    Fan, Cui-Ying; Zhao, Ming-Hao; Zhou, You-He

    2009-09-01

    The polarization saturation (PS) model [Gao, H., Barnett, D.M., 1996. An invariance property of local energy release rates in a strip saturation model of piezoelectric fracture. Int. J. Fract. 79, R25-R29; Gao, H., Zhang, T.Y., Tong, P., 1997. Local and global energy release rates for an electrically yielded crack in a piezoelectric ceramic. J. Mech. Phys. Solids 45, 491-510], and the dielectric breakdown (DB) model [Zhang, T.Y., Zhao, M.H., Cao, C.F., 2005. The strip dielectric breakdown model. Int. J. Fract. 132, 311-327] explain very well some experimental observations of fracture of piezoelectric ceramics. In this paper, the nonlinear hybrid extended displacement discontinuity-fundamental solution method (NLHEDD-FSM) is presented for numerical analysis of both the PS and DB models of two-dimensional (2D) finite piezoelectric media under impermeable and semi-permeable electric boundary conditions. In this NLHEDD-FSM, the solution is expressed approximately by a linear combination of fundamental solutions of the governing equations, which includes the extended point force fundamental solutions with sources placed at chosen points outside the domain of the problem under consideration, and the extended Crouch fundamental solutions with extended displacement discontinuities placed on the crack and the electric yielding zone. The coefficients of the fundamental solutions are determined by letting the approximated solution satisfy certain conditions on the boundary of the domain, on the crack face and the electric yielding zone. The zero electric displacement intensity factor in the PS model or the zero electric field strength intensity factor in the DB model at the outer tips of the electric yielding zone is used as a supplementary condition to determine the size of the electric yielding zone. Iteration approaches are adopted in the NLHEDD-FSM. The electric yielding zone is determined, and the extended intensity factors and the local J-integral are calculated for

  18. Numerical Instability in a 2D Gyrokinetic Code Caused by Divergent E × B Flow

    NASA Astrophysics Data System (ADS)

    Byers, J. A.; Dimits, A. M.; Matsuda, Y.; Langdon, A. B.

    1994-12-01

    In this paper, a numerical instability first observed in a 2D electrostatic gyrokinetic code is described. The instability should also be present in some form in many versons of particle-in-cell simulation codes that employ guiding center drifts. A perturbation analysis of the instability is given and its results agree quantitatively with the observations from the gyrokinetic code in all respects. The basic mechanism is a false divergence of the E × B flow caused by the interpolation between the grid and the particles as coupled with the specific numerical method for calculating E - ∇φ. Stability or instability depends in detail on the specific choice of particle interpolation method and field method. One common interpolation method, subtracted dipole, is stable. Other commonly used interpolation methods, linear and quadratic, are unstable when combined with a finite difference for the electric field. Linear and quadratic interpolation can be rendered stable if combined with another method for the electric field, the analytic differential of the interpolated potential.

  19. Numerical upscaling in 2-D heterogeneous poroelastic rocks: Anisotropic attenuation and dispersion of seismic waves

    NASA Astrophysics Data System (ADS)

    Rubino, J. Germán.; Caspari, Eva; Müller, Tobias M.; Milani, Marco; Barbosa, Nicolás. D.; Holliger, Klaus

    2016-09-01

    The presence of stiffness contrasts at scales larger than the typical pore sizes but smaller than the predominant seismic wavelengths can produce seismic attenuation and velocity dispersion in fluid-saturated porous rocks. This energy dissipation mechanism is caused by wave-induced fluid pressure diffusion among the different components of the probed geological formations. In many cases, heterogeneities have elongated shapes and preferential orientations, which implies that the overall response of the medium is anisotropic. In this work, we propose a numerical upscaling procedure that permits to quantify seismic attenuation and phase velocity considering fluid pressure diffusion effects as well as generic anisotropy at the sample's scale. The methodology is based on a set of three relaxation tests performed on a 2-D synthetic rock sample representative of the medium of interest. It provides a complex-valued frequency-dependent equivalent stiffness matrix through a least squares procedure. We also derive an approach for computing various poroelastic fields associated with the considered sample in response to the propagation of a seismic wave with arbitrary incidence angle. Using this approach, we provide an energy-based estimation of seismic attenuation. A comprehensive numerical analysis indicates that the methodology is suitable for handling complex media and different levels of overall anisotropy. Comparisons with the energy-based estimations demonstrate that the dynamic-equivalent viscoelastic medium assumption made by the numerical upscaling procedure is reasonable even in the presence of high levels of overall anisotropy. This work also highlights the usefulness of poroelastic fields for the physical interpretation of seismic wave phenomena in strongly heterogeneous and complex media.

  20. Numerical simulation of 2D buoyant jets in ice-covered and temperature-stratified water

    NASA Astrophysics Data System (ADS)

    Gu, Ruochuan

    A two-dimensional (2D) unsteady simulation model is applied to the problem of a submerged warm water discharge into a stratified lake or reservoir with an ice cover. Numerical simulations and analyses are conducted to gain insight into large-scale convective recirculation and flow processes in a cold waterbody induced by a buoyant jet. Jet behaviors under various discharge temperatures are captured by directly modeling flow and thermal fields. Flow structures and processes are described by the simulated spatial and temporal distributions of velocity and temperature in various regions: deflection, recirculation, attachment, and impingement. Some peculiar hydrothermal and dynamic features, e.g. reversal of buoyancy due to the dilution of a warm jet by entraining cold ambient water, are identified and examined. Simulation results show that buoyancy is the most important factor controlling jet behavior and mixing processes. The inflow boundary is treated as a liquid wall from which the jet is offset. Similarity and difference in effects of boundaries perpendicular and parallel to flow, and of buoyancy on jet attachment and impingement, are discussed. Symmetric flow configuration is used to de-emphasize the Coanda effect caused by offset.

  1. Absorption and scattering 2-D volcano images from numerically calculated space-weighting functions

    NASA Astrophysics Data System (ADS)

    Del Pezzo, Edoardo; Ibañez, Jesus; Prudencio, Janire; Bianco, Francesca; De Siena, Luca

    2016-08-01

    Short-period small magnitude seismograms mainly comprise scattered waves in the form of coda waves (the tail part of the seismogram, starting after S waves and ending when the noise prevails), spanning more than 70 per cent of the whole seismogram duration. Corresponding coda envelopes provide important information about the earth inhomogeneity, which can be stochastically modeled in terms of distribution of scatterers in a random medium. In suitable experimental conditions (i.e. high earth heterogeneity), either the two parameters describing heterogeneity (scattering coefficient), intrinsic energy dissipation (coefficient of intrinsic attenuation) or a combination of them (extinction length and seismic albedo) can be used to image Earth structures. Once a set of such parameter couples has been measured in a given area and for a number of sources and receivers, imaging their space distribution with standard methods is straightforward. However, as for finite-frequency and full-waveform tomography, the essential problem for a correct imaging is the determination of the weighting function describing the spatial sensitivity of observable data to scattering and absorption anomalies. Due to the nature of coda waves, the measured parameter couple can be seen as a weighted space average of the real parameters characterizing the rock volumes illuminated by the scattered waves. This paper uses the Monte Carlo numerical solution of the Energy Transport Equation to find approximate but realistic 2-D space-weighting functions for coda waves. Separate images for scattering and absorption based on these sensitivity functions are then compared with those obtained with commonly used sensitivity functions in an application to data from an active seismic experiment carried out at Deception Island (Antarctica). Results show that these novel functions are based on a reliable and physically grounded method to image magnitude and shape of scattering and absorption anomalies. Their

  2. Numerical Simulation of Supersonic Compression Corners and Hypersonic Inlet Flows Using the RPLUS2D Code

    NASA Technical Reports Server (NTRS)

    Kapoor, Kamlesh; Anderson, Bernhard H.; Shaw, Robert J.

    1994-01-01

    A two-dimensional computational code, PRLUS2D, which was developed for the reactive propulsive flows of ramjets and scramjets, was validated for two-dimensional shock-wave/turbulent-boundary-layer interactions. The problem of compression corners at supersonic speeds was solved using the RPLUS2D code. To validate the RPLUS2D code for hypersonic speeds, it was applied to a realistic hypersonic inlet geometry. Both the Baldwin-Lomax and the Chien two-equation turbulence models were used. Computational results showed that the RPLUS2D code compared very well with experimentally obtained data for supersonic compression corner flows, except in the case of large separated flows resulting from the interactions between the shock wave and turbulent boundary layer. The computational results compared well with the experiment results in a hypersonic NASA P8 inlet case, with the Chien two-equation turbulence model performing better than the Baldwin-Lomax model.

  3. Pool Formation in Boulder-Bed Streams: Implications From 1-D and 2-D Numerical Modeling

    NASA Astrophysics Data System (ADS)

    Harrison, L. R.; Keller, E. A.

    2003-12-01

    In mountain rivers of Southern California, boulder-large roughness elements strongly influence flow hydraulics and pool formation and maintenance. In these systems, boulders appear to control the stream morphology by converging flow and producing deep pools during channel forming discharges. Our research goal is to develop quantitative relationships between boulder roughness elements, temporal patterns of scour and fill, and geomorphic processes that are important in producing pool habitat. The longitudinal distribution of shear stress, unit stream power and velocity were estimated along a 48 m reach on Rattlesnake Creek, using the HEC-RAS v 3.0 and River 2-D numerical models. The reach has an average slope of 0.02 and consists of a pool-riffle sequence with a large boulder constriction directly above the pool. Model runs were performed for a range of stream discharges to test if scour and fill thresholds for pool and riffle environments could be identified. Results from the HEC-RAS simulations identified that thresholds in shear stress, unit stream power and mean velocity occur above a discharge of 5.0 cms. Results from the one-dimensional analysis suggest that the reversal in competency is likely due to changes in cross-sectional width at varying flows. River 2-D predictions indicated that strong transverse velocity gradients were present through the pool at higher modeled discharges. At a flow of 0.5 cms (roughly 1/10th bankfull discharge), velocities are estimated at 0.6 m/s and 1.3 m/s for the pool and riffle, respectively. During discharges of 5.15 cms (approximate bankfull discharge), the maximum velocity in the pool center increased to nearly 3.0 m/s, while the maximum velocity over the riffle is estimated at approximately 2.5 cms. These results are consistent with those predicted by HEC-RAS, though the reversal appears to be limited to a narrow jet that occurs through the pool head and pool center. Model predictions suggest that the velocity reversal is

  4. New Insights Into the Dynamics of Wedge Areas from a 2d Numerical Study of the Effects of Shear Heating and Mantle Hydration on AN Ocean-Continent Subduction System

    NASA Astrophysics Data System (ADS)

    Regorda, A.; Roda, M.; Marotta, A. M.; Spalla, M. I.

    2015-12-01

    To obtain new insights regarding the mechanisms that favor the exhumation of buried crustal material during ocean-continent subduction, we have developed a 2D finite element model that investigates the effects of shear heating and mantle hydration on the dynamics of wedge areas. The development of the model consists of an initial phase of active oceanic subduction and a second phase, after collision, of pure gravitational evolution; in addition, it considers 3 different velocities of active subduction. Our results show that accounting for mantle hydration is essential to produce small-scale convective flows in a wedge area with the consequent recycling and exhumation of subducted material. In addition, the dynamics of hydrated areas are strictly correlated to the thermal state at the external boundaries of the mantle wedge, and the extension of hydrated areas is independent from the subduction velocities when mantle hydration and shear heating are simultaneously considered during the active subduction phase. During the pure gravitational phase, the hydrated portion of the wedge undergoes a progressive enlargement for models with a high subduction velocity during the previous active phase. Finally, a comparison between the predicted P/T ratios and the P-T conditions recorded by markers during subduction, which show metamorphic gradients that are traditionally considered to be distinctive examples of different phases of evolution in an ocean/continent subduction complex, supports the notion that contrasting P-T conditions can contemporaneously characterize different portions of the subduction system during successive phases of modeled subduction-collision.

  5. Numerical simulation of transport and sequential biodegradation of chlorinated aliphatic hydrocarbons using CHAIN_2D

    NASA Astrophysics Data System (ADS)

    Schaerlaekens, J.; Mallants, D.; Imûnek, J.; van Genuchten, M. Th.; Feyen, J.

    1999-12-01

    Microbiological degradation of perchloroethylene (PCE) under anaerobic conditions follows a series of chain reactions, in which, sequentially, trichloroethylene (TCE), cis-dichloroethylene (c-DCE), vinylchloride (VC) and ethene are generated. First-order degradation rate constants, partitioning coefficients and mass exchange rates for PCE, TCE, c-DCE and VC were compiled from the literature. The parameters were used in a case study of pump-and-treat remediation of a PCE-contaminated site near Tilburg, The Netherlands. Transport, non-equilibrium sorption and biodegradation chain processes at the site were simulated using the CHAIN_2D code without further calibration. The modelled PCE compared reasonably well with observed PCE concentrations in the pumped water. We also performed a scenario analysis by applying several increased reductive dechlorination rates, reflecting different degradation conditions (e.g. addition of yeast extract and citrate). The scenario analysis predicted considerably higher concentrations of the degradation products as a result of enhanced reductive dechlorination of PCE. The predicted levels of the very toxic compound VC were now an order of magnitude above the maximum permissible concentration levels.

  6. The 1963 Vajont landslide (Italy) simulated through a numerical 2D code

    NASA Astrophysics Data System (ADS)

    Zaniboni, Filippo; Ausilia Paparo, Maria; Elsen, Katharina; Tinti, Stefano

    2013-04-01

    On October 9th, 1963, a huge mass of about 260 million m3 collapsed along Mt. Toc flank into the artificial lake called Vajont and generated a gigantic wave that invested the town of Longarone (North-East Italy, about 100 km north of Venice), provoking about 2000 casualties. The event started a public debate on the responsibilities for the disaster, and also raised crucial issues for the scientific and engineering community, regarding reservoir flank instability and safety of the hydroelectric plant. The peculiar features of the event were immediately evident. The clay layers remained uncovered in the upper part of the detachment niche, supporting the hypothesis of a well-defined pre-existing sliding surface, that could explain the high falling velocity (around 20 m/s as a maximum) and the compactness of the deposit layers that were found to sit almost unperturbed on the bottom of the valley. The numerical study presented here contributes to the understanding of dynamics of the Vajont landslide. It is found that the accurate knowledge of the pre- and post-slide morphology provides tight constraints on the parameters of the numerical model, that are tuned to fit the observed deposit. Numerical simulations are carried out by means of the in-house built code UBO-BLOCK2. The initial sliding body is divided into a mesh of interacting volume-conserving blocks, whose motion is computed numerically. The friction coefficient at the base of the landslide is determined through a best fit search by maximizing the degree of overlapping between the calculated and observed deposits. Our best solution is also able to account for the observed slight easterly rotation of the mass, the different behaviors of the eastern and western part of the sliding surface and the retrogressive motion of the slide that after climbing up the opposite flank of the valley reverted velocity to settle down on the bottom of the valley.

  7. Brillouin light scattering studies of 2D magnonic crystals.

    PubMed

    Tacchi, S; Gubbiotti, G; Madami, M; Carlotti, G

    2017-02-22

    Magnonic crystals, materials with periodic modulation of their magnetic properties, represent the magnetic counterpart of photonic, phononic and plasmonic crystals, and have been largely investigated in recent years because of the possibility of using spin waves as a new means for carrying and processing information over a very large frequency bandwidth. Here, we review recent Brillouin light scattering studies of 2D magnonic crystals consisting of single- and bi-component arrays of interacting magnetic dots or antidot lattices. In particular, we discuss the principal properties of the magnonic band diagram of such systems, with emphasis given to its dependence on both magnetic and the geometrical parameters. Thanks to the possibility of tailoring their band structure by means of several degrees of freedom, planar magnonic crystals offer a good opportunity to design an innovative class of nanoscale microwave devices.

  8. Brillouin light scattering studies of 2D magnonic crystals

    NASA Astrophysics Data System (ADS)

    Tacchi, S.; Gubbiotti, G.; Madami, M.; Carlotti, G.

    2017-02-01

    Magnonic crystals, materials with periodic modulation of their magnetic properties, represent the magnetic counterpart of photonic, phononic and plasmonic crystals, and have been largely investigated in recent years because of the possibility of using spin waves as a new means for carrying and processing information over a very large frequency bandwidth. Here, we review recent Brillouin light scattering studies of 2D magnonic crystals consisting of single- and bi-component arrays of interacting magnetic dots or antidot lattices. In particular, we discuss the principal properties of the magnonic band diagram of such systems, with emphasis given to its dependence on both magnetic and the geometrical parameters. Thanks to the possibility of tailoring their band structure by means of several degrees of freedom, planar magnonic crystals offer a good opportunity to design an innovative class of nanoscale microwave devices.

  9. Thermal influence on the groundwater fluid dynamics of the shallow Santiago forearc basin: 2D numerical simulations

    NASA Astrophysics Data System (ADS)

    Gramusset, Anneli; Herrera, Paulo; Parada, Miguel Angel

    2014-05-01

    A thorough understanding of the thermal processes that occur in aquifers is essential to assess local and regional low enthalpy geothermal resources. The relationship between heat convection and heat conduction has been widely studied in basins around the world at a regional scale. However, few studies have focused on smaller, shallower basins containing free aquifers hosted in unconsolidated fluvial-alluvial sediments, like Santiago Basin. We use numerical modeling to simulate the fluid dynamics of the Santiago basin groundwater system under different thermal conditions. Despite the current computational advances, modeling such a complex system with a full 3D approach is still numerically time demanding and unstable. Besides, the basin has irregular geometry and variable hydraulic and thermal features. Thus, we performed a 2D model comprising a thin water saturated slice of sediments beneath the central part of the city, where the basin morphology is well constrained. We simulate coupled groundwater and heat flow throughout this vertical slice and we compare results for different scenarios that comprise different hydraulic, thermal and geometric parameters. Results obtained with certain hydraulic conductivities show that instabilities appear giving rise to free thermal convection in the deepest parts of the basin. If the system is split into several hydrogeological units, the onset of these instabilities is inhibited. Consequently, we suggest that the stratigraphic complexities of a fluvial-alluvial deposit should be considered to better understanding the thermal-driven groundwater fluid dynamics.

  10. 2D Quantum Mechanical Study of Nanoscale MOSFETs

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, B.; Kwak, Dochan (Technical Monitor)

    2000-01-01

    With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

  11. 2D transient granular flows over obstacles: experimental and numerical work

    NASA Astrophysics Data System (ADS)

    Juez, Carmelo; Caviedes-Voullième, Daniel; Murillo, Javier; García-Navarro, Pilar

    2016-04-01

    Landslides are an ubiquitous natural hazard, and therefore human infrastructure and settlements are often at risk in mountainous regions. In order to better understand and predict landslides, systematic studies of the phenomena need to be undertaken. In particular, computational tools which allow for analysis of field problems require to be thoroughly tested, calibrated and validated under controlled conditions. And to do so, it is necessary for such controlled experiments to be fully characterized in the same terms as the numerical model requires. This work presents an experimental study of dry granular flow over a rough bed with topography which resembles a mountain valley. It has an upper region with a very high slope. The geometry of the bed describes a fourth order polynomial curve, with a low point with zero slope, and afterwards a short region with adverse slope. Obstacles are present in the lower regions which are used as model geometries of human structures. The experiments consisted of a sudden release a mass of sand on the upper region, and allowing it to flow downslope. Furthermore, it has been frequent in previous studies to measure final states of the granular mass at rest, but seldom has transient data being provided, and never for the entire field. In this work we present transient measurements of the moving granular surfaces, obtained with a consumer-grade RGB-D sensor. The sensor, developed for the videogame industry, allows to measure the moving surface of the sand, thus obtaining elevation fields. The experimental results are very consistent and repeatable. The measured surfaces clearly show the distinctive features of the granular flow around the obstacles and allow to qualitatively describe the different flow patterns. More importantly, the quantitative description of the granular surface allows for benchmarking and calibration of predictive numerical models, key in scaling the small-scale experimental knowledge into the field. In addition, as

  12. 2-D MHD numerical simulations of EML plasma armatures with ablation

    NASA Astrophysics Data System (ADS)

    Boynton, G. C.; Huerta, M. A.; Thio, Y. C.

    1993-01-01

    We use a 2-D) resistive MHD code to simulate an EML plasma armature. The energy equation includes Ohmic heating, radiation heat transport and the ideal gas equation of state, allowing for variable ionization using the Saha equations. We calculate rail ablation taking into account the flow of heat into the interior of the rails. Our simulations show the development of internal convective flows and secondary arcs. We use an explicit Flux Corrected Transport algorithm to advance all quantities in time.

  13. Numerical modeling of 2-D granular step collapse on erodible and nonerodible surface

    NASA Astrophysics Data System (ADS)

    Crosta, G. B.; Imposimato, S.; Roddeman, D.

    2009-09-01

    The study of the collapse of a granular step is of great interest for understanding transient dense granular flow conditions and for modeling geophysical flows in granular materials. We present the results of a series of finite elements simulations considering variable column aspect ratios and properties for an elastoplastic material with a Mohr-Coulomb yield rule and nonassociate flow rule. The adopted approach does not suffer limitations of typical shallow water equation methods, being able to consider strong vertical motion components. Transition from initial instability to complete flow development is simulated for columns with different aspect ratios (a ≤ 20). Simulation results are compared to original tests and available well-documented experimental data, in terms of flow development, duration, profile geometry, velocity distribution, erosion and deposition, and evolution of the interface between static and moving material. Tests involving a thick erodible layer have been performed and numerical simulation results are compared also with a real case study. Numerical results support both those of qualitative and theoretical models and the proposed general scaling laws and clarify the dependence on frictional properties. Power laws describe the normalized runout versus aspect ratio (a > 4) relationship with constants of proportionality dependent on internal friction angle and exponents ranging between 0.68 and 0.77, in good agreement with experimental results. Total duration and evolution in three successive phases agree with observations. Time for the flow front to cease motion with respect to aspect ratio is best represented by the 3.68a 0.448 relationships for a 30° internal friction angle material.

  14. Installed Transonic 2D Nozzle Nacelle Boattail Drag Study

    NASA Technical Reports Server (NTRS)

    Malone, Michael B.; Peavey, Charles C.

    1999-01-01

    The Transonic Nozzle Boattail Drag Study was initiated in 1995 to develop an understanding of how external nozzle transonic aerodynamics effect airplane performance and how strongly those effects are dependent on nozzle configuration (2D vs. axisymmetric). MDC analyzed the axisymmetric nozzle. Boeing subcontracted Northrop-Grumman to analyze the 2D nozzle. AU participants analyzed the AGARD nozzle as a check-out and validation case. Once the codes were checked out and the gridding resolution necessary for modeling the separated flow in this region determined, the analysis moved to the installed wing/body/nacelle/diverter cases. The boat tail drag validation case was the AGARD B.4 rectangular nozzle. This test case offered both test data and previous CFD analyses for comparison. Results were obtained for test cases B.4.1 (M=0.6) and B.4.2 (M=0.938) and compared very well with the experimental data. Once the validation was complete a CFD grid was constructed for the full Ref. H configuration (wing/body/nacelle/diverter) using a combination of patched and overlapped (Chimera) grids. This was done to ensure that the grid topologies and density would be adequate for the full model. The use of overlapped grids allowed the same grids from the full configuration model to be used for the wing/body alone cases, thus eliminating the risk of grid differences affecting the determination of the installation effects. Once the full configuration model was run and deemed to be suitable the nacelle/diverter grids were removed and the wing/body analysis performed. Reference H wing/body results were completed for M=0.9 (a=0.0, 2.0, 4.0, 6.0 and 8.0), M=1.1 (a=4.0 and 6.0) and M=2.4 (a=0.0, 2.0, 4.4, 6.0 and 8.0). Comparisons of the M=0.9 and M=2.4 cases were made with available wind tunnel data and overall comparisons were good. The axi-inlet/2D nozzle nacelle was analyzed isolated. The isolated nacelle data coupled with the wing/body result enabled the interference effects of the

  15. Numerical solution of 2D-vector tomography problem using the method of approximate inverse

    NASA Astrophysics Data System (ADS)

    Svetov, Ivan; Maltseva, Svetlana; Polyakova, Anna

    2016-08-01

    We propose a numerical solution of reconstruction problem of a two-dimensional vector field in a unit disk from the known values of the longitudinal and transverse ray transforms. The algorithm is based on the method of approximate inverse. Numerical simulations confirm that the proposed method yields good results of reconstruction of vector fields.

  16. The strategy for numerical solving of PIES without explicit calculation of singular integrals in 2D potential problems

    NASA Astrophysics Data System (ADS)

    Szerszeń, Krzysztof; Zieniuk, Eugeniusz

    2016-06-01

    The paper presents a strategy for numerical solving of parametric integral equation system (PIES) for 2D potential problems without explicit calculation of singular integrals. The values of these integrals will be expressed indirectly in terms of easy to compute non-singular integrals. The effectiveness of the proposed strategy is investigated with the example of potential problem modeled by the Laplace equation. The strategy simplifies the structure of the program with good the accuracy of the obtained solutions.

  17. Preliminary 2D design study for A&PCT

    SciTech Connect

    Keto, E.; Azevedo, S.; Roberson, P.

    1995-03-01

    Lawrence Livermore National Laboratory is currently designing and constructing a tomographic scanner to obtain the most accurate possible assays of radioactivity in barrels of nuclear waste in a limited amount of time. This study demonstrates a method to explore different designs using laboratory experiments and numerical simulations. In particular, we examine the trade-off between spatial resolution and signal-to-noise. The simulations are conducted in two dimensions as a preliminary study for three dimensional imaging. We find that the optimal design is entirely dependent on the expected source sizes and activities. For nuclear waste barrels, preliminary results indicate that collimators with widths of 1 to 3 inch and aspect ratios of 5:1 to 10:1 should perform well. This type of study will be repeated in 3D in more detail to optimize the final design.

  18. An efficient numerical model for hydrodynamic parameterization in 2D fractured dual-porosity media

    NASA Astrophysics Data System (ADS)

    Fahs, Hassane; Hayek, Mohamed; Fahs, Marwan; Younes, Anis

    2014-01-01

    This paper presents a robust and efficient numerical model for the parameterization of the hydrodynamic in fractured porous media. The developed model is based upon the refinement indicators algorithm for adaptive multi-scale parameterization. For each level of refinement, the Levenberg-Marquardt method is used to minimize the difference between the measured and predicted data that are obtained by solving the direct problem with the mixed finite element method. Sensitivities of state variables with respect to the parameters are calculated by the sensitivity method. The adjoint-state method is used to calculate the local gradients of the objective function necessary for the computation of the refinement indicators. Validity and efficiency of the proposed model are demonstrated by means of several numerical experiments. The developed numerical model provides encouraging results, even for noisy data and/or with a reduced number of measured heads.

  19. Reliability of astrophysical jet simulations in 2D. On inter-code reliability and numerical convergence

    NASA Astrophysics Data System (ADS)

    Krause, M.; Camenzind, M.

    2001-12-01

    In the present paper, we examine the convergence behavior and inter-code reliability of astrophysical jet simulations in axial symmetry. We consider both pure hydrodynamic jets and jets with a dynamically significant magnetic field. The setups were chosen to match the setups of two other publications, and recomputed with the MHD code NIRVANA. We show that NIRVANA and the two other codes give comparable, but not identical results. We explain the differences by the different application of artificial viscosity in the three codes and numerical details, which can be summarized in a resolution effect, in the case without magnetic field: NIRVANA turns out to be a fair code of medium efficiency. It needs approximately twice the resolution as the code by Lind (Lind et al. 1989) and half the resolution as the code by Kössl (Kössl & Müller 1988). We find that some global properties of a hydrodynamical jet simulation, like e.g. the bow shock velocity, converge at 100 points per beam radius (ppb) with NIRVANA. The situation is quite different after switching on the toroidal magnetic field: in this case, global properties converge even at 10 ppb. In both cases, details of the inner jet structure and especially the terminal shock region are still insufficiently resolved, even at our highest resolution of 70 ppb in the magnetized case and 400 ppb for the pure hydrodynamic jet. The magnetized jet even suffers from a fatal retreat of the Mach disk towards the inflow boundary, which indicates that this simulation does not converge, in the end. This is also in definite disagreement with earlier simulations, and challenges further studies of the problem with other codes. In the case of our highest resolution simulation, we can report two new features: first, small scale Kelvin-Helmholtz instabilities are excited at the contact discontinuity next to the jet head. This slows down the development of the long wavelength Kelvin-Helmholtz instability and its turbulent cascade to smaller

  20. A Beam-Fourier Technique for the Numerical Investigation of 2D Nonlinear Convective Flows

    NASA Astrophysics Data System (ADS)

    Papanicolaou, N. C.

    2011-11-01

    In the current work, we develop a numerical method suitable for treating the problem of nonlinear two-dimensional flows in rectangular domains. For the spatial approximation we employ the Fourier-Galerkin approach. More specifically, our basis functions are products of trigonometric and Beam functions. This choice means that the solutions automatically satisfy the boundary and periodic conditions in the x and y directions respectively. The accuracy of the method is assessed by applying it to model problems which admit exact analytical solutions. The numerical and analytic solutions are found to be in good agreement. The convergence rate of the spectral coefficients is found to be fifth-order algebraic in the x-direction and y-direction, confirming the efficiency and speed of our technique.

  1. Ion cyclotron emission calculations using a 2D full wave numerical code

    NASA Astrophysics Data System (ADS)

    Batchelor, D. B.; Jaeger, E. F.; Colestock, P. L.

    1987-09-01

    Measurement of radiation in the HF band due to cyclotron emission by energetic ions produced by fusion reactions or neutral beam injection promises to be a useful diagnostic on large devices which are entering the reactor regime of operation. A number of complications make the modelling and interpretation of such measurements difficult using conventional geometrical optics methods. In particular the long wavelength and lack of high directivity of antennas in this frequency regime make observation of a single path across the plasma into a viewing dump impractical. Pickup antennas effectively see the whole plasma and wall reflection effects are important. We have modified our 2D full wave ICRH code2 to calculate wave fields due to a distribution of energetic ions in tokamak geometry. The radiation is modeled as due to an ensemble of localized source currents distributed in space. The spatial structure of the coherent wave field is then calculated including cyclotron harmonic damping as compared to the usual procedure of incoherently summing powers of individual radiators. This method has the advantage that phase information from localized radiating currents is globally retained so the directivity of the pickup antennas is correctly represented. Also standing waves and wall reflections are automatically included.

  2. A numerical method for computing unsteady 2-D boundary layer flows

    NASA Technical Reports Server (NTRS)

    Krainer, Andreas

    1988-01-01

    A numerical method for computing unsteady two-dimensional boundary layers in incompressible laminar and turbulent flows is described and applied to a single airfoil changing its incidence angle in time. The solution procedure adopts a first order panel method with a simple wake model to solve for the inviscid part of the flow, and an implicit finite difference method for the viscous part of the flow. Both procedures integrate in time in a step-by-step fashion, in the course of which each step involves the solution of the elliptic Laplace equation and the solution of the parabolic boundary layer equations. The Reynolds shear stress term of the boundary layer equations is modeled by an algebraic eddy viscosity closure. The location of transition is predicted by an empirical data correlation originating from Michel. Since transition and turbulence modeling are key factors in the prediction of viscous flows, their accuracy will be of dominant influence to the overall results.

  3. Elastic properties of large tow 2-D braided composites by numerical and analytical methods

    SciTech Connect

    Nguyen, T D; Zywicz, E

    1998-09-01

    The homogenized extensional and flexural properties of a large tow, two- dimensional, braided carbon-fiber composite lamina were evaluated using analytical and numerical methods. The plane-stress composite lamina was assumed to be periodic in its plane and was modeled with a single representative volume element. The homogenized elastic properties were analytically estimated using beam-theory concepts and upper and lower bound techniques as well as using three-dimensional finite element analyses. The homogenized extensional and bending lamina properties are, in general, distinct properties and are not simply related to each other as in monolithic beams and plates or in composites with very fine and highly periodic microstructures. The importance and cause of distinct homogenized extensional and flexural elastic properties is briefly discussed.

  4. In situ hybridization study of CYP2D mRNA in the common marmoset brain

    PubMed Central

    Shimamoto, Yoshinori; Niimi, Kimie; Kitamura, Hiroshi; Tsubakishita, Sae; Takahashi, Eiki

    2016-01-01

    The common marmoset is a non-human primate that has increasingly employed in the biomedical research including the fields of neuroscience and behavioral studies. Cytochrome P450 (CYP) 2D has been speculated to be involved in psycho-neurologic actions in the human brain. In the present study, to clarify the role of CYP2D in the marmoset brain, we investigated the expression patterns of CYP2D mRNA in the brain using in situ hybridization (ISH). In addition, to identify the gene location of CYP2D19, a well-studied CYP2D isoform in the common marmoset, a fluorescence in situ hybridization (FISH) study was performed. Consistent with findings for the human brain, CYP2D mRNA was localized in the neuronal cells of different brain regions; e.g., the cerebral cortex, hippocampus, substantia nigra, and cerebellum. FISH analysis showed that the CYP2D19 gene was located on chromosome 1q, which is homologous to human chromosome 22 on which the CYP2D6 gene exists. These results suggest that CYP2D in the marmoset brain may play the same role as human CYP2D6 in terms of brain actions, and that the CYP2D19 gene is conserved in a syntenic manner. Taken together, these findings suggest that the common marmoset is a useful model for studying psychiatric disorders related to CYP2D dysfunction in the brain. PMID:27356856

  5. A numerical model of 2-D sloshing of pseudo-viscous liquids in horizontally accelerated rectangular containers

    SciTech Connect

    Romero, V.J.; Ingber, M.S.

    1995-07-01

    A numerical model for simulating the transient nonlinear behavior of 2-D viscous sloshing flows in rectangular containers subjected to arbitrary horizontal accelerations is presented. The potential-flow formulation uses Rayleigh damping to approximate the effects of viscosity, and Lagrangian node movement is used to accommodate violent sloshing motions. A boundary element approach is used to efficiently handle the time-changing fluid geometry. Additionally, a corrected equation is presented for the constraint condition relating normal and tangential derivatives of the velocity potential where the fluid free surface meets the rigid container wall. The numerical model appears to be more accurate than previous sloshing models, as determined by comparison against exact analytic solutions and results of previously published models.

  6. A Parallel 2D Numerical Simulation of Tumor Cells Necrosis by Local Hyperthermia

    NASA Astrophysics Data System (ADS)

    Reis, R. F.; Loureiro, F. S.; Lobosco, M.

    2014-03-01

    Hyperthermia has been widely used in cancer treatment to destroy tumors. The main idea of the hyperthermia is to heat a specific region like a tumor so that above a threshold temperature the tumor cells are destroyed. This can be accomplished by many heat supply techniques and the use of magnetic nanoparticles that generate heat when an alternating magnetic field is applied has emerged as a promise technique. In the present paper, the Pennes bioheat transfer equation is adopted to model the thermal tumor ablation in the context of magnetic nanoparticles. Numerical simulations are carried out considering different injection sites for the nanoparticles in an attempt to achieve better hyperthermia conditions. Explicit finite difference method is employed to solve the equations. However, a large amount of computation is required for this purpose. Therefore, this work also presents an initial attempt to improve performance using OpenMP, a parallel programming API. Experimental results were quite encouraging: speedups around 35 were obtained on a 64-core machine.

  7. Temporal evolution of magma flow and degassing conditions during dome growth, insights from 2D numerical modeling

    NASA Astrophysics Data System (ADS)

    Chevalier, Laure; Collombet, Marielle; Pinel, Virginie

    2017-03-01

    Understanding magma degassing evolution during an eruption is essential to improving forecasting of effusive/explosive regime transitions at andesitic volcanoes. Lava domes frequently form during effusive phases, inducing a pressure increase both within the conduit and within the surrounding rocks. To quantify the influence of dome height on magma flow and degassing, we couple magma and gas flow in a 2D numerical model. The deformation induced by magma flow evolution is also quantified. From realistic initial magma flow conditions in effusive regime (Collombet, 2009), we apply increasing pressure at the conduit top as the dome grows. Since volatile solubility increases with pressure, dome growth is then associated with an increase in magma dissolved water content at a given depth, which corresponds with a decrease in magma porosity and permeability. Magma flow evolution is associated with ground deflation of a few μrad in the near field. However this signal is not detectable as it is hidden by dome subsidence (a few mrad). A Darcy flow model is used to study the impact of pressure and permeability conditions on gas flow in the conduit and surrounding rock. We show that dome permeability has almost no influence on magma degassing. However, increasing pressure in the surrounding rock, due to dome loading, as well as decreasing magma permeability in the conduit limit permeable gas loss at the conduit walls, thus causing gas pressurization in the upper conduit by a few tens of MPa. Decreasing magma permeability and increasing gas pressure increase the likelihood of magma explosivity and hazard in the case of a rapid decompression due to dome collapse.

  8. A hybrid experimental-numerical technique for determining 3D velocity fields from planar 2D PIV data

    NASA Astrophysics Data System (ADS)

    Eden, A.; Sigurdson, M.; Mezić, I.; Meinhart, C. D.

    2016-09-01

    Knowledge of 3D, three component velocity fields is central to the understanding and development of effective microfluidic devices for lab-on-chip mixing applications. In this paper we present a hybrid experimental-numerical method for the generation of 3D flow information from 2D particle image velocimetry (PIV) experimental data and finite element simulations of an alternating current electrothermal (ACET) micromixer. A numerical least-squares optimization algorithm is applied to a theory-based 3D multiphysics simulation in conjunction with 2D PIV data to generate an improved estimation of the steady state velocity field. This 3D velocity field can be used to assess mixing phenomena more accurately than would be possible through simulation alone. Our technique can also be used to estimate uncertain quantities in experimental situations by fitting the gathered field data to a simulated physical model. The optimization algorithm reduced the root-mean-squared difference between the experimental and simulated velocity fields in the target region by more than a factor of 4, resulting in an average error less than 12% of the average velocity magnitude.

  9. Application of 2D numerical model to unsteady performance evaluation of vertical-axis tidal current turbine

    NASA Astrophysics Data System (ADS)

    Liu, Zhen; Qu, Hengliang; Shi, Hongda; Hu, Gexing; Hyun, Beom-Soo

    2016-12-01

    Tidal current energy is renewable and sustainable, which is a promising alternative energy resource for the future electricity supply. The straight-bladed vertical-axis turbine is regarded as a useful tool to capture the tidal current energy especially under low-speed conditions. A 2D unsteady numerical model based on Ansys-Fluent 12.0 is established to conduct the numerical simulation, which is validated by the corresponding experimental data. For the unsteady calculations, the SST model, 2×105 and 0.01 s are selected as the proper turbulence model, mesh number, and time step, respectively. Detailed contours of the velocity distributions around the rotor blade foils have been provided for a flow field analysis. The tip speed ratio (TSR) determines the azimuth angle of the appearance of the torque peak, which occurs once for a blade in a single revolution. It is also found that simply increasing the incident flow velocity could not improve the turbine performance accordingly. The peaks of the averaged power and torque coefficients appear at TSRs of 2.1 and 1.8, respectively. Furthermore, several shapes of the duct augmentation are proposed to improve the turbine performance by contracting the flow path gradually from the open mouth of the duct to the rotor. The duct augmentation can significantly enhance the power and torque output. Furthermore, the elliptic shape enables the best performance of the turbine. The numerical results prove the capability of the present 2D model for the unsteady hydrodynamics and an operating performance analysis of the vertical tidal stream turbine.

  10. 2D and 3D numerical simulations of morphodynamics structures in a large-amplitude meanders

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In the pioneering study of the Ishikari River, Japan, Kinoshita (Kinoshita 1957, 1961) described two types of meandering channels: (1) channel with two bars per meander wavelength (one bar per bend), and (2) channel with three or more bars per meander wavelength (multiple bars per bend). Based on th...

  11. Analysis and Comparison of 2-D Hemodynamic Numerical Simulation of Elastic Aneurysm and Rigid Aneurysm

    NASA Astrophysics Data System (ADS)

    Zhao, J. W.; Ding, G. H.; Yin, W. Y.; Yang, X. J.; Shi, W. C.; Zhang, X. L.

    The objective of this study is to investigate the effect of hemodynamic parameters on the formation, growth and rupture of an aneurysm. Our simulation of the elastic and rigid aneurysm is based on a DSA or other clinic image. The simulatied results are that there are great differences in the distribution of velocity magnitude at some sections which are predicted by the two models. For the elastic wall model, the distribution of velocity magnitude of one outlet is obviously off-center, which influences the distribution of wall shear stress (WSS) and exchange of substance through the vessel wall. The currents of the distributions of WSS along the wall of aneurysm for the two models are similar. But there are obvious differences between the two models in the values especially at the neck of aneurysm. This study demonstrates obviously that the elastic wall model suits the simulation for growth and rupture of an aneurysm better.

  12. Testing the Tectonic Resurfacing Hypothesis: 2D and 3D Numerical Modeling of Extending Ice Lithospheres

    NASA Astrophysics Data System (ADS)

    Savin, Daniel

    Molecules play an important role in the modern universe where they are a key component for a wide range of sources including diffuse, translucent, and dense molecular clouds; hot cores; photon dominated regions (PDRs); protostellar disks; protoplanetary disks; planetary and satellite ionospheres; cometary comae; and circumstellar envelopes around dying stars. As we strive to improve our understanding of these objects, it is necessary to be able to model and interpret their chemical composition, charge balance, emission and/or absorption spectra, and thermal structure. This, in turn, requires reliable knowledge of the underlying molecular collisions which control these properties. Of particular astrophysical importance is dissociative recombination (DR) which is the primary neutralizing reaction for molecules in cosmic plasmas. For chemical networks involving ion-molecule reactions, this process is often the terminating step for particular synthesis pathways. Knowing branching ratios for final products is critical as they can determine the viability of the pathway in question as well as whether or not a compound can be produced in the gas phase or if unknown surface chemistry must be invoked. The end products of DR may be energetic, in which case they can collisionally heat the plasma. Or they may be in excited states, in which case they can cool the gas through radiative relaxation. Here we propose a series of DR studies for selected ions of importance to the various NASA Astrophysics missions. Our work is designed to improve the DR data used in astrophysical and astrochemical models for the molecular objects listed above and thereby improve our understanding of these sources. We will deepen our understanding of halogen chemistry in the cold interstellar medium (ISM). This will enable the development of new proxies for H2 abundance determinations in the cold ISM. Based on knowledge gained from our previous DR studies, we will extend current models for ISM heating

  13. Probabilistic landslide run-out assessment with a 2-D dynamic numerical model using a Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Cepeda, Jose; Luna, Byron Quan; Nadim, Farrokh

    2013-04-01

    An essential component of a quantitative landslide hazard assessment is establishing the extent of the endangered area. This task requires accurate prediction of the run-out behaviour of a landslide, which includes the estimation of the run-out distance, run-out width, velocities, pressures, and depth of the moving mass and the final configuration of the deposits. One approach to run-out modelling is to reproduce accurately the dynamics of the propagation processes. A number of dynamic numerical models are able to compute the movement of the flow over irregular topographic terrains (3-D) controlled by a complex interaction between mechanical properties that may vary in space and time. Given the number of unknown parameters and the fact that most of the rheological parameters cannot be measured in the laboratory or field, the parametrization of run-out models is very difficult in practice. For this reason, the application of run-out models is mostly used for back-analysis of past events and very few studies have attempted to achieve forward predictions. Consequently all models are based on simplified descriptions that attempt to reproduce the general features of the failed mass motion through the use of parameters (mostly controlling shear stresses at the base of the moving mass) which account for aspects not explicitly described or oversimplified. The uncertainties involved in the run-out process have to be approached in a stochastic manner. It is of significant importance to develop methods for quantifying and properly handling the uncertainties in dynamic run-out models, in order to allow a more comprehensive approach to quantitative risk assessment. A method was developed to compute the variation in run-out intensities by using a dynamic run-out model (MassMov2D) and a probabilistic framework based on a Monte Carlo simulation in order to analyze the effect of the uncertainty of input parameters. The probability density functions of the rheological parameters

  14. 2D dynamic studies combined with the surface curvature analysis to predict Arias Intensity amplification

    NASA Astrophysics Data System (ADS)

    Torgoev, Almaz; Havenith, Hans-Balder

    2016-07-01

    A 2D elasto-dynamic modelling of the pure topographic seismic response is performed for six models with a total length of around 23.0 km. These models are reconstructed from the real topographic settings of the landslide-prone slopes situated in the Mailuu-Suu River Valley, Southern Kyrgyzstan. The main studied parameter is the Arias Intensity (Ia, m/sec), which is applied in the GIS-based Newmark method to regionally map the seismically-induced landslide susceptibility. This method maps the Ia values via empirical attenuation laws and our studies investigate a potential to include topographic input into them. Numerical studies analyse several signals with varying shape and changing central frequency values. All tests demonstrate that the spectral amplification patterns directly affect the amplification of the Ia values. These results let to link the 2D distribution of the topographically amplified Ia values with the parameter called as smoothed curvature. The amplification values for the low-frequency signals are better correlated with the curvature smoothed over larger spatial extent, while those values for the high-frequency signals are more linked to the curvature with smaller smoothing extent. The best predictions are provided by the curvature smoothed over the extent calculated according to Geli's law. The sample equations predicting the Ia amplification based on the smoothed curvature are presented for the sinusoid-shape input signals. These laws cannot be directly implemented in the regional Newmark method, as 3D amplification of the Ia values addresses more problem complexities which are not studied here. Nevertheless, our 2D results prepare the theoretical framework which can potentially be applied to the 3D domain and, therefore, represent a robust basis for these future research targets.

  15. The FlatModel: a 2D numerical code to evaluate debris flow dynamics. Eastern Pyrenees basins application.

    NASA Astrophysics Data System (ADS)

    Bateman, A.; Medina, V.; Hürlimann, M.

    2009-04-01

    Debris flows are present in every country where a combination of high mountains and flash floods exists. In the northern part of the Iberian Peninsula, at the Pyrenees, sporadic debris events occur. We selected two different events. The first one was triggered at La Guingueta by the big exceptional flood event that produced many debris flows in 1982 which were spread all over the Catalonian Pyrenees. The second, more local event occurred in 2000 at the mountain Montserrat at the Pre-litoral mountain chain. We present here some results of the FLATModel, entirely developed at the Research Group in Sediment Transport of the Hydraulic, Marine and Environmental Engineering Department (GITS-UPC). The 2D FLATModel is a Finite Volume method that uses the Godunov scheme. Some numerical arranges have been made to analyze the entrainment process during the events, the Stop & Go phenomena and the final deposit of the material. The material rheology implemented is the Voellmy approach, because it acts very well evaluating the frictional and turbulent behavior. The FLATModel uses a GIS environment that facilitates the data analysis as the comparison between field and numerical data. The two events present two different characteristics, one is practically a one dimensional problem of 1400 m in length and the other has a more two dimensional behavior that forms a big fan.

  16. Experimental Study of the 2D Jamming Transition

    NASA Astrophysics Data System (ADS)

    Cheng, Xiang

    2009-03-01

    We can study a jammed system of particles by following a loosely-packed configuration as the individual particles increase their size until all the particles are constrained by their neighbors. Because tapioca pearls swell to over twice their initial diameter when submerged in water, they offer an ideal medium with which to study properties of the jamming transition in the presence of frictional interactions. Using an array of ˜ 10,000 tapioca pearls, we study several static and dynamic signatures of the two-dimensional jamming transition. The amplitude of the first peak of the pair-correlation function changes non-monotonically as the packing fraction of the system increases. This is consistent with recent experiments in a colloidal system of NIPA particles at finite temperatures [1]. This signature is a vestige of the divergence of this peak in the frictionless-sphere limit [2]. A length scale, defined by the spatial velocity correlation function, and the number hexagons in the Voronoi tessellation have pronounced maxima at the transition. [1] Z. Zhang, D. T. N. Chen, A. G. Yodh, K. B. Aptowicz and P. Habdas, Bull. Am. Phys. Soc. Volume 53, Number 2 (2008). [2] C. S. O'Hern, L. E. Silbert, A. J. Liu and S. R. Nagel, Phys. Rev. E 68, 011306 1-19 (2003).

  17. Multipoint studies of 2D magnetotail current sheet

    NASA Astrophysics Data System (ADS)

    Petrukovich, Anatoli; Zelenyi, Lev; Nakamura, Rumi; Artemyev, Anton

    2016-07-01

    CLUSTER and Themis projects provide unique tools for magnetotail current sheet studies at a wide range of downtail distances: multipoint curlometer allows to measure electric current density, whereas regular electron data contains information on largescale tail structure. Observations show that moderately thin ion-scale embedded sheet is formed during substorm growth phase. Comparison of curlometer with particle data helps to estimate contributions of transient and magnetized ions as well as electrons to current density. Thin intense sheet with sub-ion scale is appearing after onset near reconnection zones, but vertical pressure balance requirement substantially limits the possible range of sheet thickness. Horizontal (along the tail) gradients become more important only in the near tail, within 10-12 Earth radii. Essential quantitative characteristics of ions-scale embedded sheet are boundary field b0 and maximal possible intensity of ion current.

  18. Disorder and interaction in 2D: exact diagonalization study of the Anderson-Hubbard-Mott model.

    PubMed

    Kotlyar, R; Das Sarma, S

    2001-03-12

    We investigate, by numerically calculating the charge stiffness, the effects of random diagonal disorder and electron-electron interaction on the nature of the ground state in the 2D Hubbard model through the finite-size exact diagonalization technique. By comparing with the corresponding 1D Hubbard model results and by using heuristic arguments we conclude that it is unlikely that there is a 2D metal-insulator quantum phase transition, although the effect of interaction in some range of parameters is to substantially enhance the noninteracting charge stiffness.

  19. Comparison between 1D and 1 1/2D Eulerian Vlasov codes for the numerical simulation of stimulated Raman scattering

    NASA Astrophysics Data System (ADS)

    Ghizzo, A.; Bertrand, P.; Lebas, J.; Shoucri, M.; Johnston, T.; Fijalkow, E.; Feix, M. R.

    1992-10-01

    The present 1 1/2D relativistic Euler-Vlasov code has been used to check the validity of a hydrodynamic description used in a 1D version of the Vlasov code. By these means, detailed numerical results can be compared; good agreement furnishes full support for the 1D electromagnetic Vlasov code, which runs faster than the 1 1/2D code. The results obtained assume a nonrelativistic v(y) velocity.

  20. Numerical model of water flow and solute accumulation in vertisols using HYDRUS 2D/3D code

    NASA Astrophysics Data System (ADS)

    Weiss, Tomáš; Dahan, Ofer; Turkeltub, Tuvia

    2015-04-01

    Keywords: dessication-crack-induced-salinization, preferential flow, conceptual model, numerical model, vadose zone, vertisols, soil water retention function, HYDRUS 2D/3D Vertisols cover a hydrologically very significant area of semi-arid regions often through which water infiltrates to groundwater aquifers. Understanding of water flow and solute accumulation is thus very relevant to agricultural activity and water resources management. Previous works suggest a conceptual model of dessication-crack-induced-salinization where salinization of sediment in the deep section of the vadose zone (up to 4 m) is induced by subsurface evaporation due to convective air flow in the dessication cracks. It suggests that the salinization is induced by the hydraulic gradient between the dry sediment in the vicinity of cracks (low potential) and the relatively wet sediment further from the main cracks (high potential). This paper presents a modified previously suggested conceptual model and a numerical model. The model uses a simple uniform flow approach but unconventionally prescribes the boundary conditions and the hydraulic parameters of soil. The numerical model is bound to one location close to a dairy farm waste lagoon, but the application of the suggested conceptual model could be possibly extended to all semi-arid regions with vertisols. Simulations were conducted using several modeling approaches with an ultimate goal of fitting the simulation results to the controlling variables measured in the field: temporal variation in water content across thick layer of unsaturated clay sediment (>10 m), sediment salinity and salinity the water draining down the vadose zone to the water table. The development of the model was engineered in several steps; all computed as forward solutions by try-and-error approach. The model suggests very deep instant infiltration of fresh water up to 12 m, which is also supported by the field data. The paper suggests prescribing a special atmospheric

  1. CASTOR3D: linear stability studies for 2D and 3D tokamak equilibria

    NASA Astrophysics Data System (ADS)

    Strumberger, E.; Günter, S.

    2017-01-01

    The CASTOR3D code, which is currently under development, is able to perform linear stability studies for 2D and 3D, ideal and resistive tokamak equilibria in the presence of ideal and resistive wall structures and coils. For these computations ideal equilibria represented by concentric nested flux surfaces serve as input (e.g. computed with the NEMEC code). Solving an extended eigenvalue problem, the CASTOR3D code takes simultaneously plasma inertia and wall resistivity into account. The code is a hybrid of the CASTOR_3DW stability code and the STARWALL code. The former is an extended version of the CASTOR and CASTOR_FLOW code, respectively. The latter is a linear 3D code computing the growth rates of resistive wall modes in the presence of multiply-connected wall structures. The CASTOR_3DW code, and some parts of the STARWALL code have been reformulated in a general 3D flux coordinate representation that allows to choose between various types of flux coordinates. Furthermore, the implemented many-valued current potentials in the STARWALL part allow a correct treatment of the m  =  0, n  =  0 perturbation. In this paper, we outline the theoretical concept, and present some numerical results which illustrate the present status of the code and demonstrate its numerous application possibilities.

  2. Experimental Study of Internal-Tide Scattering by 2D Topography

    NASA Astrophysics Data System (ADS)

    Mercier, M.; Peacock, T.; Dauxois, T.

    2009-04-01

    Scattering of internal tides is an important mechanism to understand energy transfer in the ocean. Numerical [1] and oceanographic [2] studies have shown that topography can be responsible for conversion from low to high modes, thereby transferring energy from larger to smaller scales. To understand and quantify more precisely low-to-high mode scattering by topography, we performed a series of experiments in which we generated a mode-1 internal tide using a new configuration for the wavemaker recently developed by Gostiaux et al. [3]. The experiments used PIV to visualize the wave field and took place on the Coriolis Turntable in Grenoble (France). We first studied the free evolution of the internal tide, in order to check its monochromaticity and vertical structure. Thereafter, we analyzed the interaction of the internal tide with idealized 2D topographies (knife-edge, gaussian bump) using modal decomposition techniques. [1] T. M. S Johnston & M. A. Merrifeld, Internal Tide Scattering at the Line Islands Ridge, J. Geophys. Res. (2003), 108:3180. [2] R. D. Ray & G. T. Mitchum, Surface Manifestation of Internal Tides in the Deep Ocean: Observations from Altimetry and Island Gauges, Prog. Ocean. (1997), 40:135-162. [3] L. Gostiaux, H. Didelle, S. Mercier & T. Dauxois, A Novel Internal Waves Generator, Exp. in Fluids (2007), 42:123—130.

  3. Comparative studies on gravisensitive protists on ground (2D and 3D clinostats) and in microgravity

    NASA Astrophysics Data System (ADS)

    Hemmersbach, Ruth; Strauch, Sebastian M.; Seibt, Dieter; Schuber, Marianne

    2006-09-01

    In order to prepare and support space experiments, 2D and 3D clinostats are widely applied to study the influence of simulated weightlessness on biological systems. In order to evaluate the results a comparison between the data obtained in simulation experiments and in real microgravity is necessary. We are currently analyzing the gravity-dependent behavior of the protists Paramecium biaurelia (ciliate) and Euglena gracilis (photosynthetic flagellate) on these different experimental platforms. So far, first results are presented concerning the behaviour of Euglena on a 2D fast rotating clinostat and a 3D clinostat as well as under real microgravity conditions (TEXUS sounding rocket flight), of Paramecium on a 2D clinostat and in microgravity. Our data show similar results during 2D and 3D clinorotation compared to real microgravity with respect to loss of orientation (gravitaxis) of Paramecium and Euglena and a decrease of linearity of the cell tracks of Euglena. However, the increase of the mean swimming velocities, especially during 3D clinorotation (Euglena) and 2D clinorotation of Paramecium might indicate a persisting mechanostimulation of the cells. Further studies including long-term 2D and 3D clinostat exposition will enable us to demonstrate the qualification of the applied simulation methods.

  4. Laboratory studies on N(2D) reactions of relevance to the chemistry of planetary atmospheres

    NASA Astrophysics Data System (ADS)

    Balucani, N.; Casavecchia, P.

    Molecular nitrogen is a very stable molecule, practically inert from a chemical point of view. For a nitrogen chemistry to occur in the planetary atmospheres which contain N2 , it is necessary to transform it into an active form, such as atoms or ions. As far as the production of atomic nitrogen in the upper atmospheres of planets (like Mars) or moons (like Titan) is concerned, several processes - as N2 dissociation induced by electron impact, EUV photolysis (λ <80 nm) and dissociative photoionization, or galactic cosmic ray absorption and N+ dissociative recombination all 2 lead to atomic nitrogen, notably in the ground, 4 S3/2 , and first electronically excited, 2 D3/2,5/2 , states with comparable yields. The radiative lifetimes of the metastable states 2 D3/2 and 2 D5/2 are quite long (12.3 and 48 hours, respectively), because the transition from a doublet to a quartet state is strongly forbidden. In addition, the physical quenching of N(2 D) is often a slow process and in some important cases the main fate of N(2 D) is chemical reaction with other constituents of the planetary atmospheres. The production of N atoms in the 2 D state is an important fact, because N(4 S) atoms exhibit very low reactivity with closed-shell molecules and the probability of collision with an open-shell radical is small. Unfortunately laboratory experiments on the gas-phase reactions of N(2 D) have been lacking until recently, because of serious experimental difficulties in studying these reactive systems. Accurate kinetic data on the reactions of N(2 D) with the some molecules of relevance to the chemistry of planetary atmospheres have finally become available in the late 90's, but a better knowledge of the reactive behavior requires a dynamical investigation of N(2 D) reactions. The capability of generating intense continuous beams of N(2 D) achieved in our laboratory some years ago has opened up the possibility of studying the reactive scattering of this species under single

  5. CYP2D6 genotype and adjuvant tamoxifen: meta-analysis of heterogeneous study populations.

    PubMed

    Province, M A; Goetz, M P; Brauch, H; Flockhart, D A; Hebert, J M; Whaley, R; Suman, V J; Schroth, W; Winter, S; Zembutsu, H; Mushiroda, T; Newman, W G; Lee, M-T M; Ambrosone, C B; Beckmann, M W; Choi, J-Y; Dieudonné, A-S; Fasching, P A; Ferraldeschi, R; Gong, L; Haschke-Becher, E; Howell, A; Jordan, L B; Hamann, U; Kiyotani, K; Krippl, P; Lambrechts, D; Latif, A; Langsenlehner, U; Lorizio, W; Neven, P; Nguyen, A T; Park, B-W; Purdie, C A; Quinlan, P; Renner, W; Schmidt, M; Schwab, M; Shin, J-G; Stingl, J C; Wegman, P; Wingren, S; Wu, A H B; Ziv, E; Zirpoli, G; Thompson, A M; Jordan, V C; Nakamura, Y; Altman, R B; Ames, M M; Weinshilboum, R M; Eichelbaum, M; Ingle, J N; Klein, T E

    2014-02-01

    The International Tamoxifen Pharmacogenomics Consortium was established to address the controversy regarding cytochrome P450 2D6 (CYP2D6) status and clinical outcomes in tamoxifen therapy. We performed a meta-analysis on data from 4,973 tamoxifen-treated patients (12 globally distributed sites). Using strict eligibility requirements (postmenopausal women with estrogen receptor-positive breast cancer, receiving 20 mg/day tamoxifen for 5 years, criterion 1); CYP2D6 poor metabolizer status was associated with poorer invasive disease-free survival (IDFS: hazard ratio = 1.25; 95% confidence interval = 1.06, 1.47; P = 0.009). However, CYP2D6 status was not statistically significant when tamoxifen duration, menopausal status, and annual follow-up were not specified (criterion 2, n = 2,443; P = 0.25) or when no exclusions were applied (criterion 3, n = 4,935; P = 0.38). Although CYP2D6 is a strong predictor of IDFS using strict inclusion criteria, because the results are not robust to inclusion criteria (these were not defined a priori), prospective studies are necessary to fully establish the value of CYP2D6 genotyping in tamoxifen therapy.

  6. Numerical investigation of the flat band Bloch modes in a 2D photonic crystal with Dirac cones.

    PubMed

    Zhang, Peng; Fietz, Chris; Tassin, Philippe; Koschny, Thomas; Soukoulis, Costas M

    2015-04-20

    A numerical method combining complex-k band calculations and absorbing boundary conditions for Bloch waves is presented. We use this method to study photonic crystals with Dirac cones. We demonstrate that the photonic crystal behaves as a zero-index medium when excited at normal incidence, but that the zero-index behavior is lost at oblique incidence due to excitation of modes on the flat band. We also investigate the formation of monomodal and multimodal cavity resonances inside the photonic crystals, and the physical origins of their different line-shape features.

  7. Comparison of 2D versus 3D mammography with screening cases: an observer study

    NASA Astrophysics Data System (ADS)

    Fernandez, James Reza; Deshpande, Ruchi; Hovanessian-Larsen, Linda; Liu, Brent

    2012-02-01

    Breast cancer is the most common type of non-skin cancer in women. 2D mammography is a screening tool to aid in the early detection of breast cancer, but has diagnostic limitations of overlapping tissues, especially in dense breasts. 3D mammography has the potential to improve detection outcomes by increasing specificity, and a new 3D screening tool with a 3D display for mammography aims to improve performance and efficiency as compared to 2D mammography. An observer study using human studies collected from was performed to compare traditional 2D mammography with this new 3D mammography technique. A prior study using a mammography phantom revealed no difference in calcification detection, but improved mass detection in 2D as compared to 3D. There was a significant decrease in reading time for masses, calcifications, and normals in 3D compared to 2D, however, as well as more favorable confidence levels in reading normal cases. Data for this current study is currently being obtained, and a full report should be available in the next few weeks.

  8. The Effects of Far-Field Boundary Conditions on 2D Numerical Solutions for Continental Rifting: Tests and Recipes for Improved Treatment of Asthenosphere Flow and Melting

    NASA Astrophysics Data System (ADS)

    Morgan, J. P.; de Monserrat, A.; Hall, R.; Taramon, J. M.; Perez-Gussinye, M.

    2015-12-01

    This work focuses on improving current 2D numerical approaches to modeling the boundary conditions associated with computing accurate deformation and melting associated with continental rifting. Recent models primarily use far-field boundary conditions that have been used for decades with little assessment of their effects on asthenospheric flow beneath the rifting region. All are clearly extremely oversimplified — Huismans and Buiter assume there is no vertical flow into the rifting region, with the asthenosphere flowing uniformly into the rifting region from the sides beneath lithosphere moving in the opposing direction, Armitage et al. and van Wijk use divergent velocities on the upper boundary to impose break-up within a Cartesian box, while other studies generally assume there is uniform horizontal flow away from the center of rifting, with uniform vertical flow replenishing the material pulled out of the sides of the computational region. All are likely to significantly shape the pattern of asthenospheric flow beneath the stretching lithosphere that is associated with pressure-release melting and rift volcanism. Thus while ALL may lead to similar predictions of the effects of crustal stretching and thinning, NONE may lead to accurate determination of the the asthenospheric flow and melting associated with lithospheric stretching and breakup. Here we discuss a suite of numerical experiments that compare these choices to likely more realistic boundary condition choices like the analytical solution for flow associated with two diverging plates stretching over a finite-width region, and a high-resolution 2-D region embedded within a cylindrical annulus 'whole mantle cross-section' at 5% extra numerical problem size. Our initial results imply that the choice of far-field boundary conditions does indeed significantly influence predicted melting distributions and melt volumes associated with continental breakup. For calculations including asthenospheric melting

  9. Numerical Studies of Topological phases

    NASA Astrophysics Data System (ADS)

    Geraedts, Scott

    The topological phases of matter have been a major part of condensed matter physics research since the discovery of the quantum Hall effect in the 1980s. Recently, much of this research has focused on the study of systems of free fermions, such as the integer quantum Hall effect, quantum spin Hall effect, and topological insulator. Though these free fermion systems can play host to a variety of interesting phenomena, the physics of interacting topological phases is even richer. Unfortunately, there is a shortage of theoretical tools that can be used to approach interacting problems. In this thesis I will discuss progress in using two different numerical techniques to study topological phases. Recently much research in topological phases has focused on phases made up of bosons. Unlike fermions, free bosons form a condensate and so interactions are vital if the bosons are to realize a topological phase. Since these phases are difficult to study, much of our understanding comes from exactly solvable models, such as Kitaev's toric code, as well as Levin-Wen and Walker-Wang models. We may want to study systems for which such exactly solvable models are not available. In this thesis I present a series of models which are not solvable exactly, but which can be studied in sign-free Monte Carlo simulations. The models work by binding charges to point topological defects. They can be used to realize bosonic interacting versions of the quantum Hall effect in 2D and topological insulator in 3D. Effective field theories of ''integer'' (non-fractionalized) versions of these phases were available in the literature, but our models also allow for the construction of fractional phases. We can measure a number of properties of the bulk and surface of these phases. Few interacting topological phases have been realized experimentally, but there is one very important exception: the fractional quantum Hall effect (FQHE). Though the fractional quantum Hall effect we discovered over 30

  10. Advanced Tsunami Numerical Simulations and Energy Considerations by use of 3D-2D Coupled Models: The October 11, 1918, Mona Passage Tsunami

    NASA Astrophysics Data System (ADS)

    López-Venegas, Alberto M.; Horrillo, Juan; Pampell-Manis, Alyssa; Huérfano, Victor; Mercado, Aurelio

    2015-06-01

    The most recent tsunami observed along the coast of the island of Puerto Rico occurred on October 11, 1918, after a magnitude 7.2 earthquake in the Mona Passage. The earthquake was responsible for initiating a tsunami that mostly affected the northwestern coast of the island. Runup values from a post-tsunami survey indicated the waves reached up to 6 m. A controversy regarding the source of the tsunami has resulted in several numerical simulations involving either fault rupture or a submarine landslide as the most probable cause of the tsunami. Here we follow up on previous simulations of the tsunami from a submarine landslide source off the western coast of Puerto Rico as initiated by the earthquake. Improvements on our previous study include: (1) higher-resolution bathymetry; (2) a 3D-2D coupled numerical model specifically developed for the tsunami; (3) use of the non-hydrostatic numerical model NEOWAVE (non-hydrostatic evolution of ocean WAVE) featuring two-way nesting capabilities; and (4) comprehensive energy analysis to determine the time of full tsunami wave development. The three-dimensional Navier-Stokes model tsunami solution using the Navier-Stokes algorithm with multiple interfaces for two fluids (water and landslide) was used to determine the initial wave characteristic generated by the submarine landslide. Use of NEOWAVE enabled us to solve for coastal inundation, wave propagation, and detailed runup. Our results were in agreement with previous work in which a submarine landslide is favored as the most probable source of the tsunami, and improvement in the resolution of the bathymetry yielded inundation of the coastal areas that compare well with values from a post-tsunami survey. Our unique energy analysis indicates that most of the wave energy is isolated in the wave generation region, particularly at depths near the landslide, and once the initial wave propagates from the generation region its energy begins to stabilize.

  11. A Novel Numerical Algorithm of Numerov Type for 2D Quasi-linear Elliptic Boundary Value Problems

    NASA Astrophysics Data System (ADS)

    Mohanty, R. K.; Kumar, Ravindra

    2014-11-01

    In this article, using three function evaluations, we discuss a nine-point compact scheme of O(Δ y2 + Δ x4) based on Numerov-type discretization for the solution of 2D quasi-linear elliptic equations with given Dirichlet boundary conditions, where Δy > 0 and Δx > 0 are grid sizes in y- and x-directions, respectively. Iterative methods for diffusion-convection equation are discussed in detail. We use block iterative methods to solve the system of algebraic linear and nonlinear difference equations. Comparative results of some physical problems are given to illustrate the usefulness of the proposed method.

  12. Experimental studies of spin-imbalanced Fermi gases in 2D geometries

    NASA Astrophysics Data System (ADS)

    Thomas, John

    We study the thermodynamics of a quasi-two-dimensional Fermi gas, which is not quite two-dimensional (2D), but far from three dimensional (3D). This system offers opportunities to test predictions that cross interdisciplinary boundaries, such as enhanced superfluid transition temperatures in spin-imbalanced quasi-2D superconductors, and provides important benchmarks for calculations of the phase diagrams. In the experiments, an ultra-cold Fermi gas is confined in an infrared CO2 laser standing-wave, which produces periodic pancake-shaped potential wells, separated by 5.3 μm. To study the thermodynamics, we load an ultra-cold mixture of N1 = 800 spin 1/2 -up and N2 2D-BCS theory, but can be fit by a 2D-polaron gas model, where each atom is surrounded by a cloud of particle-hole pairs of the opposite spin. However, this model fails to predict a transition to a spin-balanced central region as N2/N1is increased. Supported by the physics divisions of ARO, AFOSR, and NSF and by the Division of Materials Science and Engineering, the Office of Basic Energy Sciences, DOE.

  13. A Convective Vorticity Vector Associated With Tropical Convection: A 2D Cloud-Resolving Modeling Study

    NASA Technical Reports Server (NTRS)

    Gao, Shou-Ting; Ping, Fan; Li, Xiao-Fan; Tao, Wei-Kuo

    2004-01-01

    Although dry/moist potential vorticity is a useful physical quantity for meteorological analysis, it cannot be applied to the analysis of 2D simulations. A convective vorticity vector (CVV) is introduced in this study to analyze 2D cloud-resolving simulation data associated with 2D tropical convection. The cloud model is forced by the vertical velocity, zonal wind, horizontal advection, and sea surface temperature obtained from the TOGA COARE, and is integrated for a selected 10-day period. The CVV has zonal and vertical components in the 2D x-z frame. Analysis of zonally-averaged and mass-integrated quantities shows that the correlation coefficient between the vertical component of the CVV and the sum of the cloud hydrometeor mixing ratios is 0.81, whereas the correlation coefficient between the zonal component and the sum of the mixing ratios is only 0.18. This indicates that the vertical component of the CVV is closely associated with tropical convection. The tendency equation for the vertical component of the CVV is derived and the zonally-averaged and mass-integrated tendency budgets are analyzed. The tendency of the vertical component of the CVV is determined by the interaction between the vorticity and the zonal gradient of cloud heating. The results demonstrate that the vertical component of the CVV is a cloud-linked parameter and can be used to study tropical convection.

  14. Numerical simulations of hydrodynamic instabilities: Perturbation codes PANSY, PERLE, and 2D code CHIC applied to a realistic LIL target

    NASA Astrophysics Data System (ADS)

    Hallo, L.; Olazabal-Loumé, M.; Maire, P. H.; Breil, J.; Morse, R.-L.; Schurtz, G.

    2006-06-01

    This paper deals with ablation front instabilities simulations in the context of direct drive ICF. A simplified DT target, representative of realistic target on LIL is considered. We describe here two numerical approaches: the linear perturbation method using the perturbation codes Perle (planar) and Pansy (spherical) and the direct simulation method using our Bi-dimensional hydrodynamic code Chic. Numerical solutions are shown to converge, in good agreement with analytical models.

  15. Ultrasonic field profile evaluation in acoustically inhomogeneous anisotropic materials using 2D ray tracing model: Numerical and experimental comparison.

    PubMed

    Kolkoori, S R; Rahman, M-U; Chinta, P K; Ktreutzbruck, M; Rethmeier, M; Prager, J

    2013-02-01

    Ultrasound propagation in inhomogeneous anisotropic materials is difficult to examine because of the directional dependency of elastic properties. Simulation tools play an important role in developing advanced reliable ultrasonic non destructive testing techniques for the inspection of anisotropic materials particularly austenitic cladded materials, austenitic welds and dissimilar welds. In this contribution we present an adapted 2D ray tracing model for evaluating ultrasonic wave fields quantitatively in inhomogeneous anisotropic materials. Inhomogeneity in the anisotropic material is represented by discretizing into several homogeneous layers. According to ray tracing model, ultrasonic ray paths are traced during its energy propagation through various discretized layers of the material and at each interface the problem of reflection and transmission is solved. The presented algorithm evaluates the transducer excited ultrasonic fields accurately by taking into account the directivity of the transducer, divergence of the ray bundle, density of rays and phase relations as well as transmission coefficients. The ray tracing model is able to calculate the ultrasonic wave fields generated by a point source as well as a finite dimension transducer. The ray tracing model results are validated quantitatively with the results obtained from 2D Elastodynamic Finite Integration Technique (EFIT) on several configurations generally occurring in the ultrasonic non destructive testing of anisotropic materials. Finally, the quantitative comparison of ray tracing model results with experiments on 32mm thick austenitic weld material and 62mm thick austenitic cladded material is discussed.

  16. Simulation study of 2D spectrum of molecular aggregates coupled to correlated vibrations

    NASA Astrophysics Data System (ADS)

    Abramavicius, Darius; Butkus, Vytautas; Valkunas, Leonas; Mukamel, Shaul

    2011-03-01

    Oscillatory dynamics of two-dimensional (2D) spectra of photosynthetic pigment-protein complexes raise the questions of how to disentangle various origins of these oscillations, which may include quantum beats, quantum transport, or molecular vibrations. We study the effects of correlated overdamped fluctuations and under-damped vibrations on the 2D spectra of Fenna-Matthews-Olson (FMO) aggregate, which has well-resolved exciton resonances, and a circular porphyrin aggregate (P6), whose absorption shows vibrational progression. We use a generic exciton Hamiltonian coupled to a bath, characterized by a spectral density. Fluctuations have smooth, while vibtations have δ -type spectral densities. We show how various scenarios of correlated molecular fluctuations lead to some highly oscillatory crosspeaks. Molecular vibrations cause progression of diagonal peaks in the 2D spectrum and make their corresponding cross-peaks highly oscillatory. We, thus, demonstrate that bath fluctuations and molecular vibrations of realistic molecular aggregates are highly entangled in 2D spectroscopy. DA acknowledges grant VP1-3.1-SMM-07-V, SM - the grants CHE0745892 (NSF), DRPA BAA-10-40 QUBE.

  17. Melt-rock reaction in the asthenospheric mantle: Perspectives from high-order accurate numerical simulations in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Tirupathi, S.; Schiemenz, A. R.; Liang, Y.; Parmentier, E.; Hesthaven, J.

    2013-12-01

    The style and mode of melt migration in the mantle are important to the interpretation of basalts erupted on the surface. Both grain-scale diffuse porous flow and channelized melt migration have been proposed. To better understand the mechanisms and consequences of melt migration in a heterogeneous mantle, we have undertaken a numerical study of reactive dissolution in an upwelling and viscously deformable mantle where solubility of pyroxene increases upwards. Our setup is similar to that described in [1], except we use a larger domain size in 2D and 3D and a new numerical method. To enable efficient simulations in 3D through parallel computing, we developed a high-order accurate numerical method for the magma dynamics problem using discontinuous Galerkin methods and constructed the problem using the numerical library deal.II [2]. Linear stability analyses of the reactive dissolution problem reveal three dynamically distinct regimes [3] and the simulations reported in this study were run in the stable regime and the unstable wave regime where small perturbations in porosity grows periodically. The wave regime is more relevant to melt migration beneath the mid-ocean ridges but computationally more challenging. Extending the 2D simulations in the stable regime in [1] to 3D using various combinations of sustained perturbations in porosity at the base of the upwelling column (which may result from a viened mantle), we show the geometry and distribution of dunite channel and high-porosity melt channels are highly correlated with inflow perturbation through superposition. Strong nonlinear interactions among compaction, dissolution, and upwelling give rise to porosity waves and high-porosity melt channels in the wave regime. These compaction-dissolution waves have well organized but time-dependent structures in the lower part of the simulation domain. High-porosity melt channels nucleate along nodal lines of the porosity waves, growing downwards. The wavelength scales

  18. Stress evolution and dynamics of the lithosphere from 2-D and 3-D numerical models of long-term tectonic processes.

    NASA Astrophysics Data System (ADS)

    Kaus, B. J.

    2007-12-01

    The processes that generate stress in the lithosphere are incompletely understood. Whereas it is obvious that lithospheric deformation (and topography) is ultimately caused by cooling of the Earth from the time of formation, it is less clear how lithospheric deformation is coupled to mantle flow and how this affect stresses. Part of this is due to the somewhat complicated rheology of the lithosphere, which varies from brittle (elastoplastic) to ductile (viscous). In addition, vertical layering of the lithosphere may give rise to instabilities which affect its dynamics and stress evolution in a non-trivial manner. Obtaining a better insight in these processes thus requires numerical tools that can model the mantle-lithosphere system in a self-consistent manner (i.e. in a single computational domain) including topographic effects (i.e. free surface) and viscoelastoplastic rheologies. I have recently developed 2-D and 3-D numerical tools that incorporate the above mentioned features. Here I focus on a number of case studies to illustrate how differences in rheology and boundary conditions alter the dynamics and in particular the stress evolution of the lithosphere. Instabilities such as bending or buckling of compressed lithosphere reduce the average stress ('structural weakening"). Viscoelasticity results in time- dependencies, which are particularly pronounced in highly viscous parts of the lithosphere (e.g. the mantle lithosphere). Strong parts of the lithospere thus don't necessarily have large differential stresses (and earthquakes). The Christmas-tree approximation should therefore be used with care to infer stress levels in the lithosphere. Finally I will illustrate differences in stresses between "kinematically-driven" and "internally-driven" lithospheric- scale deformation models.

  19. In vitro systems to study nephropharmacology: 2D versus 3D models.

    PubMed

    Sánchez-Romero, Natalia; Schophuizen, Carolien M S; Giménez, Ignacio; Masereeuw, Rosalinde

    2016-11-05

    The conventional 2-dimensional (2D) cell culture is an invaluable tool in, amongst others, cell biology and experimental pharmacology. However, cells cultured in 2D, on the top of stiff plastic plates lose their phenotypical characteristics and fail in recreating the physiological environment found in vivo. This is a fundamental requirement when the goal of the study is to get a rigorous predictive response of human drug action and safety. Recent approaches in the field of renal cell biology are focused on the generation of 3D cell culture models due to the more bona fide features that they exhibit and the fact that they are more closely related to the observed physiological conditions, and better predict in vivo drug handling. In this review, we describe the currently available 3D in vitro models of the kidney, and some future directions for studying renal drug handling, disease modeling and kidney regeneration.

  20. Studies of a suitable mask error enhancement factor for 2D patterns

    NASA Astrophysics Data System (ADS)

    Wei, Chih I.; Cheng, Yung Feng; Chen, Ming Jui

    2013-04-01

    In advanced 20nm and below technology nodes, the mask enhanced error factor (MEEF) plays an important rule due to the request of stable process control and quality of mask manufacture. It provides us an effective parameter to analyze the process window for lithography. In advanced nodes, MEEF criterion becomes more important than previous nodes because very tight process tolerance is requested, especially in OPC and mask capability control. Therefore, we have to do further studies on this topic. In the simple line/trench design layers (for example: Active and poly), the MEEF is easy to be defined because mask bias is isotropic. However, in the complicated two-dimensional (2D) design layers (for example: Contact and Mvia), they are hard to be defined a suitable definition of MEEF. In the first part, we used the global bias to calculate the MEEF on all patterns. It makes calculation easier to compare with other patterns which are different shapes. However, when we inspected the 2D line-end patterns on the wafer, we found the significant differences between the MEEF of wafer data and aerial simulation. In order to clarify this issue, we perform series simulation studies of the line-end MEEF. Then we knew that it came from the different bias strategies. Furthermore, the simulation studies show that the line-end MEEF of non-preferable orientation is very sensitive to mask X/Y ratio bias due to strong OAI optical behavior by the SMO source. As a result, a new point of view of 2D MEEF is suggested according to physical mask CD error measurement data. In this study, we would find a better description of the MEEF than traditional one for lithographic process development on 2D region.

  1. Transverse instability of electron plasma waves study via direct 2 +2D Vlasov simulations

    NASA Astrophysics Data System (ADS)

    Silantyev, Denis; Lushnikov, Pavel; Rose, Harvey

    2016-10-01

    Transverse instability can be viewed as initial stage of electron plasma waves (EPWs) filamentation. We performed direct 2 +2D Vlasov-Poisson simulations of collisionless plasma to systematically study the growth rates of oblique modes of finite-amplitude EPW depending on its amplitude, wavenumber, angle of the oblique mode wavevector relative to the EPW's wavevector and the configuration of the trapped electrons in the EPW. Simulation results are compared to the predictions of theoretical models.

  2. Interaction of water molecules with hexagonal 2D systems. A DFT study

    NASA Astrophysics Data System (ADS)

    Rojas, Ángela; Rey, Rafael

    Over the years water sources have been contaminated with many chemical agents, becoming issues that affect health of the world population. The advances of the nanoscience and nanotechnology in the development new materials constitute an alternative for design molecular filters with great efficiencies and low cost for water treatment and purification. In the nanoscale, the process of filtration or separation of inorganic and organic pollutants from water requires to study interactions of these atoms or molecules with different nano-materials. Specifically, it is necessary to understand the role of these interactions in physical and chemical properties of the nano-materials. In this work, the main interest is to do a theoretical study of interaction between water molecules and 2D graphene-like systems, such as silicene (h-Si) or germanene (h-Ge). Using Density Functional Theory we calculate total energy curves as function of separation between of water molecules and 2D systems. Different spatial configurations of water molecules relative to 2D systems are considered. Structural relaxation effects and changes of electronic charge density also are reported. Universidad Nacional de Colombia.

  3. Comparison of 2D and 3D Numerical Models with Experiments of Tsunami Flow through a Built Environment

    NASA Astrophysics Data System (ADS)

    LeVeque, R. J.; Motley, M. R.

    2015-12-01

    A series of tsunami wave basin experiments of flow through a scale model of Seaside, Oregon have been used as validation data for a 2015 benchmarking workshop hosted by the National Tsunami Mitigation Program, which focused on better understanding the ability of tsunami models to predict flow velocities and inundation depths following a coastal inundation event. As researchers begin to assess the safety of coastal infrastructures, proper assessment of tsunami-induced forces on coastal structures is critical. Hydrodynamic forces on these structures are fundamentally proportional to the local momentum flux of the fluid, and experimental data included momentum flux measurements at many instrumented gauge locations. The GeoClaw tsunami model, which solves the two-dimensional shallow water equations, was compared against other codes during the benchmarking workshop, and more recently a three-dimensional computational fluid dynamics model using the open-source OpenFOAM software has been developed and results from this model are being compared with both the experimental data and the 2D GeoClaw results. In addition, the 3D model allows for computation of fluid forces on the faces of structures, permitting an investigation of the common use of momentum flux as a proxy for these forces. This work aims to assess the potential to apply these momentum flux predictions locally within the model to determine tsunami-induced forces on critical structures. Difficulties in working with these data sets and cross-model comparisons will be discussed. Ultimately, application of the more computationally efficient GeoClaw model, informed by the 3D OpenFOAM models, to predict forces on structures at the community scale can be expected to improve the safety and resilience of coastal communities.

  4. Modelling river bank erosion using a 2D depth-averaged numerical model of flow and non-cohesive, non-uniform sediment transport

    NASA Astrophysics Data System (ADS)

    El Kadi Abderrezzak, Kamal; Die Moran, Andrés; Tassi, Pablo; Ata, Riadh; Hervouet, Jean-Michel

    2016-07-01

    Bank erosion can be an important form of morphological adjustment in rivers. With the advances made in computational techniques, two-dimensional (2D) depth-averaged numerical models have become valuable tools for resolving many engineering problems dealing with sediment transport. The objective of this research work is to present a simple, new, bank-erosion operator that is integrated into a 2D Saint-Venant-Exner morphodynamic model. The numerical code is based on an unstructured grid of triangular elements and finite-element algorithms. The slope of each element in the grid is compared to the angle of repose of the bank material. Elements for which the slope is too steep are tilted to bring them to the angle of repose along a horizontal axis defined such that the volume loss above the axis is equal to the volume gain below, thus ensuring mass balance. The model performance is assessed using data from laboratory flume experiments and a scale model of the Old Rhine. For the flume experiment case with uniform bank material, relevant results are obtained for bank geometry changes. For the more challenging case (i.e. scale model of the Old Rhine with non-uniform bank material), the numerical model is capable of reproducing the main features of the bank failure, induced by the newly designed groynes, as well as the transport of the mobilized sediment material downstream. Some deviations between the computed results and measured data are, however, observed. They are ascribed to the effects of three-dimensional (3D) flow structures, pore pressure and cohesion, which are not considered in the present 2D model.

  5. Numerical investigation of ultrasonic attenuation through 2D trabecular bone structures reconstructed from CT scans and random realizations.

    PubMed

    Gilbert, Robert P; Guyenne, Philippe; Li, Jing

    2014-02-01

    In this paper, we compare ultrasound interrogations of actual CT-scanned images of trabecular bone with artificial randomly constructed bone. Even though it is known that actual bone does not have randomly distributed trabeculae, we find that the ultrasound attenuations are close enough to cast doubt on any microstructural information, such as trabeculae width and distance between trabeculae, being gleaned from such experiments. More precisely, we perform numerical simulations of ultrasound interrogation on cancellous bone to investigate the phenomenon of ultrasound attenuation as a function of excitation frequency and bone porosity. The theoretical model is based on acoustic propagation equations for a composite fluid-solid material and is solved by a staggered-grid finite-difference scheme in the time domain. Numerical experiments are performed on two-dimensional bone samples reconstructed from CT-scanned images of real human calcaneus and from random distributions of fluid-solid particles generated via the turning bands method. A detailed comparison is performed on various parameters such as the attenuation rate and speed of sound through the bone samples as well as the normalized broadband ultrasound attenuation coefficient. Comparing results from these two types of bone samples allows us to assess the role of bone microstructure in ultrasound attenuation. It is found that the random model provides suitable bone samples for ultrasound interrogation in the transverse direction of the trabecular network.

  6. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  7. Digit ratio (2D:4D) and hand preference for writing in the BBC Internet Study.

    PubMed

    Manning, J T; Peters, M

    2009-09-01

    The ratio of the length of the second to the fourth digit (2D:4D) may be negatively correlated with prenatal testosterone. Hand preference has been linked with prenatal testosterone and 2D:4D. Here we show that 2D:4D is associated with hand preference for writing in a large internet sample (n>170,000) in which participants self-reported their finger lengths. We replicated a significant association between right 2D:4D and writing hand preference (low right 2D:4D associated with left hand preference) as well as a significant correlation between writing hand preference and the difference between left and right 2D:4D or Dr-l (low Dr-l associated with left hand preference). A new significant correlation between left 2D:4D and writing hand preference was also shown (high left 2D:4D associated with left hand preference). There was a clear interaction between writing hand preference and 2D:4D: The left 2D:4D was significantly larger than the right 2D:4D in male and female left-handed writers, and the right hand 2D:4D was significantly larger than the left hand 2D:4D in male and female right-handed writers.

  8. A New Cell-Centered Implicit Numerical Scheme for Ions in the 2-D Axisymmetric Code Hall2de

    NASA Technical Reports Server (NTRS)

    Lopez Ortega, Alejandro; Mikellides, Ioannis G.

    2014-01-01

    We present a new algorithm in the Hall2De code to simulate the ion hydrodynamics in the acceleration channel and near plume regions of Hall-effect thrusters. This implementation constitutes an upgrade of the capabilities built in the Hall2De code. The equations of mass conservation and momentum for unmagnetized ions are solved using a conservative, finite-volume, cell-centered scheme on a magnetic-field-aligned grid. Major computational savings are achieved by making use of an implicit predictor/multi-corrector algorithm for time evolution. Inaccuracies in the prediction of the motion of low-energy ions in the near plume in hydrodynamics approaches are addressed by implementing a multi-fluid algorithm that tracks ions of different energies separately. A wide range of comparisons with measurements are performed to validate the new ion algorithms. Several numerical experiments with the location and value of the anomalous collision frequency are also presented. Differences in the plasma properties in the near-plume between the single fluid and multi-fluid approaches are discussed. We complete our validation by comparing predicted erosion rates at the channel walls of the thruster with measurements. Erosion rates predicted by the plasma properties obtained from simulations replicate accurately measured rates of erosion within the uncertainty range of the sputtering models employed.

  9. Investigation of capillary nanosecond discharges in air at moderate pressure: comparison of experiments and 2D numerical modelling

    NASA Astrophysics Data System (ADS)

    Klochko, Andrei V.; Starikovskaia, Svetlana M.; Xiong, Zhongmin; Kushner, Mark J.

    2014-09-01

    Nanosecond electrical discharges in the form of ionization waves are of interest for rapidly ionizing and exciting complex gas mixtures to initiate chemical reactions. Operating with a small discharge tube diameter can significantly increase the specific energy deposition and so enable optimization of the initiation process. Analysis of the uniformity of energy release in small diameter capillary tubes will aid in this optimization. In this paper, results for the experimentally derived characteristics of nanosecond capillary discharges in air at moderate pressure are presented and compared with results from a two-dimensional model. The quartz capillary tube, having inner and outer diameters of 1.5 and 3.4 mm, is about 80 mm long and filled with synthetic dry air at 27 mbar. The capillary tube with two electrodes at the ends is inserted into a break of the central wire of a long coaxial cable. A metal screen around the tube is connected to the cable ground shield. The discharge is driven by a 19 kV 35 ns voltage pulse applied to the powered electrode. The experimental measurements are conducted primarily by using a calibrated capacitive probe and back current shunts. The numerical modelling focuses on the fast ionization wave (FIW) and the plasma properties in the immediate afterglow after the conductive plasma channel has been established between the two electrodes. The FIW produces a highly focused region of electric field on the tube axis that sustains the ionization wave that eventually bridges the electrode gap. Results from the model predict FIW propagation speed and current rise time that agree with the experiment.

  10. Numerical Monte Carlo analysis of the influence of pore-scale dispersion on macrodispersion in 2-D heterogeneous porous media

    NASA Astrophysics Data System (ADS)

    Beaudoin, Anthony; de Dreuzy, Jean-Raynald; Erhel, Jocelyne

    2010-12-01

    We investigate the influences of pore-scale dispersion and of larger-scale permeability heterogeneities on the macrodispersion without the molecular diffusion. Permeability follows a lognormal exponentially correlated distribution characterized by its correlation length λ and its lognormal variance σ2. Macrodispersion is evaluated numerically by using parallel simulations on grids of characteristic size ranging from 200λ to 1600λ. We note αL and αT the pore-scale longitudinal and transversal dispersivities. For αL/λ < 10-2 and αT/λ < 10-3, the influence of pore-scale dispersion on the macrodispersion is smaller than 5% of the macrodispersion due only to permeability heterogeneities. Larger dispersivities (αL/λ ≥ 10-2 or αT/λ ≥ 10-3) induce larger effects than those obtained by the semianalytical expression of Salandin and Fiorotto (1998) for σ2 > 1. The effects of local dispersion on the longitudinal macrodispersion remain limited to 25% at most of the macrodispersion due only to permeability heterogeneities. For σ2 > 1, isotropic local dispersion induces a reduction of the longitudinal macrodispersion, whereas anisotropic local dispersion lets it increase. The longitudinal and transverse local dispersions induce opposite effects on the longitudinal macrodispersion, which are respectively an increase and a reduction. The transverse macrodispersion null without local dispersion or molecular diffusion becomes strictly positive with local dispersion. Because of the velocity field heterogeneities, it is amplified by a factor of 2 to 50 from the grid scale to the macro scale. The transverse dispersion is triggered by both longitudinal and transverse local dispersions. A reduction of a factor of 2 of the transverse local dispersion at fixed longitudinal local dispersion yields only a reduction of a factor of 4 at most of the transverse macrodispersion for σ2 ≥ 2.25.

  11. Positron-annihilation 2D-ACAR studies of disordered and defected alloys

    SciTech Connect

    Bansil, A.; Prasad, R.; Smedskjaer, L.C.; Benedek, R.; Mijnarends, P.E.

    1987-09-01

    Theoretical and experimental progess in connection with 2D-ACAR positron annihilation studies of ordered, disordered, and defected alloys is discussed. We present, in particular, some of the recent developments concerning the electronic structure of disordered alloys, and the work in the area of annihilation from positrons trapped at vacancy-type defects in metals and alloys. The electronic structure and properties of a number of compounds are also discussed briefly; we comment specifically on high T/sub c/ ceramic superconductors, Heusler alloys, and transition-metal aluminides. 58 refs., 116 figs.

  12. Studying the Polarization Switching in Polycrystalline BiFeO3 Films by 2D Piezoresponse Force Microscopy

    PubMed Central

    Jin, Yaming; Lu, Xiaomei; Zhang, Junting; Kan, Yi; Bo, Huifeng; Huang, Fengzhen; Xu, Tingting; Du, Yingchao; Xiao, Shuyu; Zhu, Jinsong

    2015-01-01

    For rhombohedral multiferroelectrics, non-180° ferroelectric domain switching may induce ferroelastic and/or (anti-)ferromagnetic effect. So the determination and control of ferroelectric domain switching angles is crucial for nonvolatile information storage and exchange-coupled magnetoelectric devices. We try to study the intrinsic characters of polarization switching in BiFeO3 by introducing a special data processing method to determine the switching angle from 2D PFM (Piezoresponse Force Microscopy) images of randomly oriented samples. The response surface of BiFeO3 is first plotted using the piezoelectric tensor got from first principles calculations. Then from the normalized 2D PFM signals before and after switching, the switching angles of randomly oriented BiFeO3 grains can be determined through numerical calculations. In the polycrystalline BiFeO3 films, up to 34% of all switched area is that with original out-of-plane (OP) polarization parallel to the poling field. 71° polarization switching is more favorable, with the area percentages of 71°, 109° and 180° domain switching being about 42%, 29% and 29%, respectively. Our analysis further reveals that IP stress and charge migration have comparable effect on switching, and they are sensitive to the geometric arrangements. This work helps exploring a route to control polarization switching in BiFeO3, so as to realize desirable magnetoelectric coupling. PMID:26192555

  13. 1D and 2D NMR studies of isobornyl acrylate - Methyl methacrylate copolymers

    NASA Astrophysics Data System (ADS)

    Khandelwal, Deepika; Hooda, Sunita; Brar, A. S.; Shankar, Ravi

    2011-10-01

    Isobornyl acrylate - methyl methacrylate (B/M) copolymers of different compositions were synthesized by atom transfer radical polymerization (ATRP) using methyl-2-bromopropionate as an initiator and PMDETA copper complex as catalyst under nitrogen atmosphere at 70 °C. 1H NMR spectrum was used to determine the compositions of copolymer. The copolymer compositions were then used to determine the reactivity ratios of monomers. Reactivity ratios of co-monomers in B/M copolymer, determined from linear Kelen-Tudos method (KT) and non linear Error-in-Variable Method (EVM), are rB = 0.41 ± 0.11, rM = 1.11 ± 0.33 and rB = 0.52, rM = 1.31 respectively. The complete resonance assignments of 1H and 13C{ 1H} NMR spectra were carried out with the help of Distortion less Enhancement by Polarization Transfer (DEPT), two-dimensional Heteronuclear Single Quantum Coherence (HSQC). 2D HSQC assignments were further confirmed by 2D Total Correlation Spectroscopy (TOCSY). The carbonyl carbon of B and M units and methyl carbon of M unit were assigned up to triad compositional and configurational sequences whereas β-methylene carbons were assigned up to tetrad compositional and configurational sequences. Similarly the methine carbon of B unit was assigned up to pentad level. 1,3 and 1,4 bond order couplings of carbonyl carbon and quaternary carbon resonances with methine, methylene and methyl protons were studied in detail using 2D Hetero Nuclear Multiple Bond Correlation (HMBC) spectra.

  14. A 2D-ELDOR study of the liquid ordered phase in multilamellar vesicle membranes.

    PubMed

    Costa-Filho, Antonio J; Shimoyama, Yuhei; Freed, Jack H

    2003-04-01

    2D-ELDOR spectroscopy has been employed to study the dynamic structure of the liquid-ordered (Lo) phase versus that of the liquid-crystalline (Lc) phase in multibilayer phospholipid vesicles without (Lc) and with (Lo) cholesterol, using end-chain and headgroup labels and spin-labeled cholestane. The spectra are in most cases found to be dramatically different for these two phases. Thus, visual inspection of the 2D-ELDOR spectra provides a convenient way to distinguish the two phases in membranes. Detailed analysis shows these observations are due to increased ordering in the Lo phase and modified reorientation rates. In the Lo phase, acyl chains undergo a faster rotational diffusion and higher ordering than in the Lc phase, whereas spin-labeled cholestane exhibits slower rotational diffusion and higher ordering. On the other hand, the choline headgroup in the Lo phase exhibits faster motion and reduced but realigned ordering versus the Lc phase. The microscopic translational diffusion rates in the Lo phase are significantly reduced in the presence of cholesterol. These results are compared with previous studies, and a consistent model is provided for interpreting them in terms of the differences in the dynamic structure of the Lo and Lc phases.

  15. A 2D-ELDOR Study of the Liquid Ordered Phase in Multilamellar Vesicle Membranes

    PubMed Central

    Costa-Filho, Antonio J.; Shimoyama, Yuhei; Freed, Jack H.

    2003-01-01

    2D-ELDOR spectroscopy has been employed to study the dynamic structure of the liquid-ordered (Lo) phase versus that of the liquid-crystalline (Lc) phase in multibilayer phospholipid vesicles without (Lc) and with (Lo) cholesterol, using end-chain and headgroup labels and spin-labeled cholestane. The spectra are in most cases found to be dramatically different for these two phases. Thus, visual inspection of the 2D-ELDOR spectra provides a convenient way to distinguish the two phases in membranes. Detailed analysis shows these observations are due to increased ordering in the Lo phase and modified reorientation rates. In the Lo phase, acyl chains undergo a faster rotational diffusion and higher ordering than in the Lc phase, whereas spin-labeled cholestane exhibits slower rotational diffusion and higher ordering. On the other hand, the choline headgroup in the Lo phase exhibits faster motion and reduced but realigned ordering versus the Lc phase. The microscopic translational diffusion rates in the Lo phase are significantly reduced in the presence of cholesterol. These results are compared with previous studies, and a consistent model is provided for interpreting them in terms of the differences in the dynamic structure of the Lo and Lc phases. PMID:12668470

  16. Theoretical study of surface plasmons coupling in transition metallic alloy 2D binary grating

    NASA Astrophysics Data System (ADS)

    Dhibi, Abdelhak; Khemiri, Mehdi; Oumezzine, Mohamed

    2016-05-01

    The excitation of a surface plasmon polariton (SPP) wave on a metal-air interface by a 2D diffraction grating is numerically investigated. The grating consists of homogeneous alloys of two metals of a formula AxB1-x, or three metals of a formula AxByCz, where A, B and C could be silver (Ag), copper (Cu), gold (Au) or aluminum (Al). It is observed that all the alloys of two metals present a very small change of surface plasmon resonance (SPR) irrespective of composition x. Moreover, the addition of 25% of Al to two metals alloy is insufficient to change the SPR curves. The influence of the different grating parameters is discussed in details using rigorous coupled-wave analysis (RCWA) method. Furthermore, the SPR is highly dependent on grating periods (dx and dy) and the height of the grating h. The results reveal that dx= dy= 700 nm, h=40 nm and duty cycle w=0.5 are the optimal parameters for exciting SPP.

  17. Theoretical study of surface plasmon resonance sensors based on 2D bimetallic alloy grating

    NASA Astrophysics Data System (ADS)

    Dhibi, Abdelhak; Khemiri, Mehdi; Oumezzine, Mohamed

    2016-11-01

    A surface plasmon resonance (SPR) sensor based on 2D alloy grating with a high performance is proposed. The grating consists of homogeneous alloys of formula MxAg1-x, where M is gold, copper, platinum and palladium. Compared to the SPR sensors based a pure metal, the sensor based on angular interrogation with silver exhibits a sharper (i.e. larger depth-to-width ratio) reflectivity dip, which provides a big detection accuracy, whereas the sensor based on gold exhibits the broadest dips and the highest sensitivity. The detection accuracy of SPR sensor based a metal alloy is enhanced by the increase of silver composition. In addition, the composition of silver which is around 0.8 improves the sensitivity and the quality of SPR sensor of pure metal. Numerical simulations based on rigorous coupled wave analysis (RCWA) show that the sensor based on a metal alloy not only has a high sensitivity and a high detection accuracy, but also exhibits a good linearity and a good quality.

  18. Study of an athermal quasi static plastic deformation in a 2D granular material

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; Zheng, Jie

    2016-11-01

    In crystalline materials, the plasticity has been well understood in terms of dynamics of dislocation, i.e. flow defects in the crystals where the flow defects can be directly visualized under a microscope. In a contrast, the plasticity in amorphous materials, i.e. glass, is still poorly understood due to the disordered nature of the materials. In this talk, I will discuss the recent results we have obtained in our ongoing research of the plasticity of a 2D glass in the athermal quasi static limit where the 2D glass is made of bi-disperse granular disks with very low friction. Starting from a densely packed homogeneous and isotropic initial state, we apply pure shear deformation to the system. For a sufficiently small strain, the response of the system is linear and elastic like; when the strain is large enough, the plasticity of the system gradually develops and eventually the shear bands are fully developed. In this study, we are particularly interested in how to relate the local plastic deformation to the macroscopic response of the system and also in the development of the shear bands.

  19. Experimental and numerical study of pulsating transversal jets

    NASA Astrophysics Data System (ADS)

    Goldfeld, M. A.; Fedorova, N. N.; Fedorchenko, I. A.; Pozdnyakov, G. A.; Timofeev, K. Yu.; Zhakharova, Yu. V.

    2015-06-01

    Paper presents results of joint experimental and numerical investigation of pulsating jet penetration into still air and supersonic flow. Goal of the study is to investigate two-dimensional (2D) Hartmann generator (HG) properties and clear up its possibilities in providing better mixing between air and secondary (injected) gases.

  20. 3D-2D ultrasound feature-based registration for navigated prostate biopsy: a feasibility study.

    PubMed

    Selmi, Sonia Y; Promayon, Emmanuel; Troccaz, Jocelyne

    2016-08-01

    The aim of this paper is to describe a 3D-2D ultrasound feature-based registration method for navigated prostate biopsy and its first results obtained on patient data. A system combining a low-cost tracking system and a 3D-2D registration algorithm was designed. The proposed 3D-2D registration method combines geometric and image-based distances. After extracting features from ultrasound images, 3D and 2D features within a defined distance are matched using an intensity-based function. The results are encouraging and show acceptable errors with simulated transforms applied on ultrasound volumes from real patients.

  1. Implementation, study and calibration of a modified ASM2d for the simulation of SBR processes.

    PubMed

    Marsili Libelli, S; Ratini, P; Spagni, A; Bortone, G

    2001-01-01

    An enhanced process model for SBRs has been developed. Though the basic mechanism largely draws on the Activated Sludge Model n. 2d, its new features are the splitting of the nitrification stage in a two-step process, according to the well known Nitrosomonas-Nitrobacter oxidation sequence, and an improved XPAO dynamics, involved in the anaerobic/aerobic phosphorus removal process. The model was implemented through the DLL technique allowing complied C++ modules to be linked to an ordinary Simulink block diagram. The static sensitivity study revealed that if the parameter vector is partitioned into subsets of biologically related parameters and calibrated separately, the calibration procedure does not present particularly difficult aspects. Trajectory sensitivity showed also to which extent data collection could be optimised in order to improve calibration accuracy. The study of the shape of the error functional generated by parameters couples allows a much more effective calibration strategy.

  2. A 2D 3D registration with low dose radiographic system for in vivo kinematic studies.

    PubMed

    Jerbi, T; Burdin, V; Stindel, E; Roux, C

    2011-01-01

    The knowledge of the poses and the positions of the knee bones and prostheses is of a great interest in the orthopedic and biomechanical applications. In this context, we use an ultra low dose bi-planar radiographic system called EOS to acquire two radiographs of the studied bones in each position. In this paper, we develop a new method for 2D 3D registration based on the frequency domain to determine the poses and the positions during quasi static motion analysis for healthy and prosthetic knees. Data of two healthy knees and four knees with unicompartimental prosthesis performing three different poses (full extension, 30° and 60° of flexion) were used in this work. The results we obtained are in concordance with the clinical accuracy and with the accuracy reported in other previous studies.

  3. Digit ratio (2D:4D), dominance, reproductive success, asymmetry, and sociosexuality in the BBC Internet Study.

    PubMed

    Manning, John T; Fink, Bernhard

    2008-01-01

    Digit ratio (2D:4D) may be a correlate of prenatal sex steroids, and has been linked to traits, which are influenced by fetal testosterone and estrogen. Here we consider such links in a large Internet study of sex differences (the BBC Internet Study) in which finger lengths were self-measured. Consistent with lab-based findings the 2D:4D in this study shows sexual dimorphism, ethnic differences and higher dimorphism of right 2D:4D than left, thereby indicating that 2D:4D does measure real between-participant variation. High error in self-measurement of fingers reduces effect sizes. However, the large sample size gives assurance that significant effects are likely to be real. We controlled for ethnicity and sexual orientation by considering White heterosexuals only (153,429 participants). Sexual dimorphism was confirmed in 2D:4D and for the difference of right-left 2D:4D. After Bonferroni correction we found highly significant relationships with low effect sizes as follows. In males and females there were negative associations between 2D:4D and dominance. In males there were negative associations between 2D:4D and family size and factors associated with reproductive success. For females these associations were positive. For asymmetry we found U-shaped relationships with 2D:4D in both males and females. We found no relationship between 2D:4D and promiscuity (sociosexuality). In total, we considered 48 relationships and found 29 to be significant. We compare our findings with a similar study reported by Putz et al. (2004), which found only 2 out of 57 correlations to be significant and discuss possible reasons for the discrepancies between the studies.

  4. Transport studies in 2D transition metal dichalcogenides and black phosphorus

    NASA Astrophysics Data System (ADS)

    Du, Yuchen; Neal, Adam T.; Zhou, Hong; Ye, Peide D.

    2016-07-01

    Two-dimensional (2D) materials are a new family of materials with interesting physical properties, ranging from insulating hexagonal boron nitride, semiconducting or semi-metallic transition metal dichalcogenides, to gapless metallic graphene. In this review, we provide a brief discussion of transport studies in transition metal dichalcogenides, including both semiconducting and semi-metallic phases, as well as a discussion of the newly emerged narrow bandgap layered material, black phosphorus, in terms of its electrical and quantum transport properties at room and cryogenic temperatures. Ultra-thin layered channel materials with atomic layer thickness in the cross-plane direction, together with relatively high carrier mobility with appropriate passivation techniques, provide the promise for new scientific discoveries and broad device applications.

  5. 2D FT-IR Study of Compositional and Structural Change in Developing Cotton Fibers

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two-dimensional (2D) correlation analysis was applied to characterize the ATR spectral intensity fluctuations of immature and mature cotton fibers. Prior to 2D analysis, the spectra were leveled to zero at the peak intensity of 1800 cm-1 and then were normalized at the peak intensity of 660 cm-1 to ...

  6. Experimental and Computational Study of Multiphase Flow Hydrodynamics in 2D Trickle Bed Reactors

    NASA Astrophysics Data System (ADS)

    Nadeem, H.; Ben Salem, I.; Kurnia, J. C.; Rabbani, S.; Shamim, T.; Sassi, M.

    2014-12-01

    Trickle bed reactors are largely used in the refining processes. Co-current heavy oil and hydrogen gas flow downward on catalytic particle bed. Fine particles in the heavy oil and/or soot formed by the exothermic catalytic reactions deposit on the bed and clog the flow channels. This work is funded by the refining company of Abu Dhabi and aims at mitigating pressure buildup due to fine deposition in the TBR. In this work, we focus on meso-scale experimental and computational investigations of the interplay between flow regimes and the various parameters that affect them. A 2D experimental apparatus has been built to investigate the flow regimes with an average pore diameter close to the values encountered in trickle beds. A parametric study is done for the development of flow regimes and the transition between them when the geometry and arrangement of the particles within the porous medium are varied. Liquid and gas flow velocities have also been varied to capture the different flow regimes. Real time images of the multiphase flow are captured using a high speed camera, which were then used to characterize the transition between the different flow regimes. A diffused light source was used behind the 2D Trickle Bed Reactor to enhance visualizations. Experimental data shows very good agreement with the published literature. The computational study focuses on the hydrodynamics of multiphase flow and to identify the flow regime developed inside TBRs using the ANSYS Fluent Software package. Multiphase flow inside TBRs is investigated using the "discrete particle" approach together with Volume of Fluid (VoF) multiphase flow modeling. The effect of the bed particle diameter, spacing, and arrangement are presented that may be used to provide guidelines for designing trickle bed reactors.

  7. Potential energy surface and quasiclassical trajectory studies of the N(2D)+H2 reaction

    NASA Astrophysics Data System (ADS)

    Pederson, Lisa A.; Schatz, George C.; Ho, Tak-San; Hollebeek, Timothy; Rabitz, Herschel; Harding, Lawrence B.; Lendvay, György

    1999-05-01

    We present a global potential energy surface for the 1A″ state of NH2 based on application of the reproducing kernel Hilbert space interpolation method to high quality ab initio (multireference configuration interaction) results. Extensive quasiclassical trajectory calculations are performed on this surface to study the N(2D)+H2/D2 reaction dynamics. Comparison is made with calculations on the lower level [first order configuration interaction (FOCI)] surface of Kobayashi, Takayanagi, Yokoyama, Sato, and Tsunashima (KTYST). We find a saddle point energy of 2.3 (1.9) kcal/mol for the perpendicular approach for the second order configuration interaction (SOCI) (SOCI with Davidson correction) surfaces, and a collinear stationary point energy of 5.5 (4.6) kcal/mol. The ordering of these stationary points is reversed compared to the corresponding FOCI results, and the only true reaction path on our surface is perpendicular. The primary reaction mechanism is determined to be C2v insertion to produce short lived (100-300 fs) NH2 intermediates. Angular distributions are found to be primarily forward-backward symmetric, with a slight bias towards backward scattering at low energies. Decay of the NH2's occurs before energy is fully randomized, so the product vibrational distributions are a little hotter than statistical—with vibrational population ratios NH(v″=1)/NH(v″=0)=0.8 and ND(v″=1)/ND(v″=0)=0.9 (near threshold). These ratios, and other aspects of the vibrational product distributions are in excellent agreement with recent laser induced fluorescence studies.

  8. Finding the best combination of numerical schemes for 2-D SPH simulation of wedge water entry for a wide range of deadrise angles

    NASA Astrophysics Data System (ADS)

    Farsi, Mohammad; Ghadimi, Parviz

    2014-09-01

    Main aim of this paper is to find the best combination of numerical schemes for 2-D SPH simulation of wedge water entry. Diffusion term is considered as laminar, turbulent, and artificial viscosity. Density filter that seriously affects the pressure distribution is investigated by adopting no filter, first order filter, and second order filter. Validation of the results indicates that turbulent model and first order density filter can lead to more reasonable solutions. This simulation was then conducted for wedge water entry with wide range of deadrise angles including 10 degrees, 20 degrees, 30 degrees, 45 degrees, 60 degrees and 81 degrees, with extreme deadrise angles of 10 degrees, 60 degrees and 81 degrees being considered. Comparison of SPH results with BEM solutions has displayed favorable agreement. In two particular cases where experimental data are available, the SPH results are shown to be closer to the experiments than BEM solution. While, accuracy of the obtained results for moderate deadrise angles is desirable, numerical findings for very small or very large deadrise angles are also very reasonable

  9. Test Problem: Tilted Rayleigh-Taylor for 2-D Mixing Studies

    SciTech Connect

    Andrews, Malcolm J.; Livescu, Daniel; Youngs, David L.

    2012-08-14

    reasonable quality photographic data. The photographs in Figure 2 also reveal the appearance of a boundary layer at the left and right walls; this boundary layer has not been included in the test problem as preliminary calculations suggested it had a negligible effect on plume penetration and RT mixing. The significance of this test problem is that, unlike planar RT experiments such as the Rocket-Rig (Youngs, 1984), Linear Electric Motor - LEM (Dimonte, 1990), or the Water Tunnel (Andrews, 1992), the Tilted-Rig is a unique two-dimensional RT mixing experiment that has experimental data and now (in this TP) Direct Numerical Simulation data from Livescu and Wei. The availability of DNS data for the tilted-rig has made this TP viable as it provides detailed results for comparison purposes. The purpose of the test problem is to provide 3D simulation results, validated by comparison with experiment, which can be used for the development and validation of 2D RANS models. When such models are applied to 2D flows, various physics issues are raised such as double counting, combined buoyancy and shear, and 2-D strain, which have not yet been adequately addressed. The current objective of the test problem is to compare key results, which are needed for RANS model validation, obtained from high-Reynolds number DNS, high-resolution ILES or LES with explicit sub-grid-scale models. The experiment is incompressible and so is directly suitable for algorithms that are designed for incompressible flows (e.g. pressure correction algorithms with multi-grid); however, we have extended the TP so that compressible algorithms, run at low Mach number, may also be used if careful consideration is given to initial pressure fields. Thus, this TP serves as a useful tool for incompressible and compressible simulation codes, and mathematical models. In the remainder of this TP we provide a detailed specification; the next section provides the underlying assumptions for the TP, fluids, geometry details

  10. Computational Study and Analysis of Structural Imperfections in 1D and 2D Photonic Crystals

    SciTech Connect

    Maskaly, Karlene Rosera

    2005-06-01

    Dielectric reflectors that are periodic in one or two dimensions, also known as 1D and 2D photonic crystals, have been widely studied for many potential applications due to the presence of wavelength-tunable photonic bandgaps. However, the unique optical behavior of photonic crystals is based on theoretical models of perfect analogues. Little is known about the practical effects of dielectric imperfections on their technologically useful optical properties. In order to address this issue, a finite-difference time-domain (FDTD) code is employed to study the effect of three specific dielectric imperfections in 1D and 2D photonic crystals. The first imperfection investigated is dielectric interfacial roughness in quarter-wave tuned 1D photonic crystals at normal incidence. This study reveals that the reflectivity of some roughened photonic crystal configurations can change up to 50% at the center of the bandgap for RMS roughness values around 20% of the characteristic periodicity of the crystal. However, this reflectivity change can be mitigated by increasing the index contrast and/or the number of bilayers in the crystal. In order to explain these results, the homogenization approximation, which is usually applied to single rough surfaces, is applied to the quarter-wave stacks. The results of the homogenization approximation match the FDTD results extremely well, suggesting that the main role of the roughness features is to grade the refractive index profile of the interfaces in the photonic crystal rather than diffusely scatter the incoming light. This result also implies that the amount of incoherent reflection from the roughened quarterwave stacks is extremely small. This is confirmed through direct extraction of the amount of incoherent power from the FDTD calculations. Further FDTD studies are done on the entire normal incidence bandgap of roughened 1D photonic crystals. These results reveal a narrowing and red-shifting of the normal incidence bandgap with

  11. A 2D flow visualization user study using explicit flow synthesis and implicit task design.

    PubMed

    Liu, Zhanping; Cai, Shangshu; Swan, J Edward; Moorhead, Robert J; Martin, Joel P; Jankun-Kelly, T J

    2012-05-01

    This paper presents a 2D flow visualization user study that we conducted using new methodologies to increase the objectiveness. We evaluated grid-based variable-size arrows, evenly spaced streamlines, and line integral convolution (LIC) variants (basic, oriented, and enhanced versions) coupled with a colorwheel and/or rainbow color map, which are representative of many geometry-based and texture-based techniques. To reduce data-related bias, template-based explicit flow synthesis was used to create a wide variety of symmetric flows with similar topological complexity. To suppress task-related bias, pattern-based implicit task design was employed, addressing critical point recognition, critical point classification, and symmetric pattern categorization. In addition, variable-duration and fixed-duration measurement schemes were utilized for lightweight precision-critical and heavyweight judgment intensive flow analysis tasks, respectively, to record visualization effectiveness. We eliminated outliers and used the Ryan REGWQ post-hoc homogeneous subset tests in statistical analysis to obtain reliable findings. Our study shows that a texture-based dense representation with accentuated flow streaks, such as enhanced LIC, enables intuitive perception of the flow, while a geometry-based integral representation with uniform density control, such as evenly spaced streamlines, may exploit visual interpolation to facilitate mental reconstruction of the flow. It is also shown that inappropriate color mapping (e.g., colorwheel) may add distractions to a flow representation.

  12. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    SciTech Connect

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulk IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.

  13. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

    DOE PAGES

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulkmore » IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.« less

  14. Molecular, clinical and neuropsychological study in 31 patients with Kabuki syndrome and KMT2D mutations.

    PubMed

    Lehman, Natacha; Mazery, Anne Claire; Visier, Antoine; Baumann, Clarisse; Lachesnais, Dominique; Capri, Yline; Toutain, Annick; Odent, Sylvie; Mikaty, Myriam; Goizet, Cyril; Taupiac, Emmanuelle; Jacquemont, Marie Line; Sanchez, Elodie; Schaefer, Elise; Gatinois, Vincent; Faivre, Laurence; Minot, Delphine; Kayirangwa, Honorine; Le Qang Sang, Kim-Hanh; Boddaert, Nathalie; Bayard, Sophie; Lacombe, Didier; Moutton, Sébastien; Touitou, Isabelle; Rio, Marlène; Amiel, Jeanne; Lyonnet, Stanislas; Sanlaville, Damien; Picot, Marie Christine; Geneviève, David

    2017-03-14

    Kabuki syndrome (KS - OMIM 147920) is a rare developmental disease characterized by the association of multiple congenital anomalies and intellectual disability. This study aimed to investigate intellectual performance in children with Kabuki syndrome and link the performance to several clinical features and molecular data. We recruited 31 children with KMT2D mutations who were 6 to 16 years old. They all completed the Weschler Intelligence Scale for Children, fourth edition. We calculated all indexes: the Full Scale Intellectual Quotient (FSIQ), Verbal Comprehension Index (VCI), Perceptive Reasoning Index (PRI), Processing Speed Index (PSI), and Working Memory Index (WMI). In addition, molecular data and several clinical symptoms were studied. FSIQ and VCI scores were 10 points lower for patients with a truncating mutation than other types of mutations. In addition, scores for FSIQ, VCI and PRI were lower for children with visual impairment than normal vision. We also identified a discrepancy in indexes characterized by high WMI and VCI and low PRI and PSI. We emphasize the importance of early identification and intensive care of visual disorders in patients with Kabuki syndrome and recommend individual assessment of intellectual profile.

  15. The effect of bone fracture unevenness on ultrasound axial transmission measurements: A pilot 2D simulation study

    NASA Astrophysics Data System (ADS)

    Machado, Christiano B.; Pereira, Wagner C. A.; Padilla, Frédéric; Laugier, Pascal

    2012-05-01

    Ultrasound axial transmission (UAT) has been proposed to the diagnosis and follow-up of fracture healing. Some researchers have already pointed out the influence of fracture length, geometry and callus composition on the ultrasound time-of-flight and attenuation, with experimental and simulation studies. The aim of this work was to develop a pilot study on the effect of bone fracture unevenness on UAT measurements. Two-dimensional (2D) numerical simulations of ultrasound wave propagation were run using a custom-made finite-difference time domain code (SimSonic2D). Numerical models were composed of two 4-mm thick bone plates, with fracture lengths varying from 0 to 4 mm. For each case, an upward (UWun) and downward (DWun) unevenness of 0.5, 1.0 and 1.5 mm was implemented in the second plate. The 1-MHz emitter and receptor transducers were placed at 40 mm from each other, 20 mm apart from the center fracture. Two configurations were considered: 1.5 mm above the plates (for the 0-mm unevenness case) and transducers in contact with bone plate. For each situation, the time-of-flight of the first arriving signal (TOFFAS) and the FAS energy amplitude loss measured by the sound pressure level (SPLFAS) were computed. Results showed that there was a linear increase in TOFFAS with increasing fracture length, and a decrease of SPLFAS with the presence of a discontinuity. TOFFAS values were decreased with UWun (-0.87 μs for UWun = 1.5 mm), and increased with DWun (+0.99 μs for DWun = 1.5 mm). The SPLFAS increased with both UWun (+3.54 dB for UWun = 1.5 mm) and DWun (+8.15 dB for DWun = 1.5 mm). Both parameters showed the same variability. When transducers were put in contact with bone surface, fracture unevenness had no influence on TOF and SPL estimates. Previous works have already demonstrated that a fracture of 3 mm can increase TOFFAS in an order of 1 μs. Considering these preliminary results, it can be concluded that, although the variable fracture unevenness (until 1

  16. 2D kinematic study of the central region of NGC 4501

    NASA Astrophysics Data System (ADS)

    Repetto, P.; Faúndez-Abans, M.; Freitas-Lemes, P.; Rodrigues, I.; de Oliveira-Abans, M.

    2017-01-01

    Gemini Multi-Object Spectrograph and its Integral Field Unit observational data were used to study the detailed 2D gas kinematics and morphological structures within the ˜500 × 421 pc2 of the active Seyfert 2 galaxy NGC 4501. We provide empirical pieces of evidence of possible outflowing material from the central zones of NGC 4501 to the observer. In addition, we performed a spectral synthesis and diagnostic diagram analysis to determine respectively the dominant stellar population in the inner disc of this galaxy and to unveil the actual nature of the central engine of NGC 4501. The principal finding of this work is that the central regions of NGC 4501 are dominated by non-circular motions connected to probable outflows of matter from the nuclear regions of this galaxy. A predominant old stellar population inhabits the internal zones of NGC 4501, excluding the possibility of ongoing starburst activity in the central parsecs of this galaxy. The latter result is confirmed by the diagnostic diagram analysis that establishes a preponderant active galactic nucleus character for NGC 4501. These outcomes together provide a general description of the gas motion and the corresponding nuclear activity in the internal disc of NGC 4501 in an attempt to elucidate the possible relation among the central activity and the induced kinematic properties of this nearby galaxy.

  17. Cavitation control on a 2D hydrofoil through a continuous tangential injection of liquid: Experimental study

    NASA Astrophysics Data System (ADS)

    Timoshevskiy, M. V.; Zapryagaev, I. I.; Pervunin, K. S.; Markovich, D. M.

    2016-10-01

    In the paper, the possibility of active control of a cavitating flow over a 2D hydrofoil that replicates a scaled-down model of high-pressure hydroturbine guide vane (GV) was tested. The flow manipulation was implemented by a continuous tangential liquid injection at different flow rates through a spanwise slot in the foil surface. In experiments, the hydrofoil was placed in the test channel at the attack angle of 9°. Different cavitation conditions were reached by varying the cavitation number and injection velocity. In order to study time dynamics and spatial patterns of partial cavities, high-speed imaging was employed. A PIV method was used to measure the mean and fluctuating velocity fields over the hydrofoil. Hydroacoustic measurements were carried out by means of a pressure transducer to identify spectral characteristics of the cavitating flow. It was found that the present control technique is able to modify the partial cavity pattern (or even totally suppress cavitation) in case of stable sheet cavitation and change the amplitude of pressure pulsations at unsteady regimes. The injection technique makes it also possible to significantly influence the spatial distributions of the mean velocity and its turbulent fluctuations over the GV section for non-cavitating flow and sheet cavitation.

  18. Experimental Studies of Pinning Effects in 2D Colloidal Crystals Using Microstructured Substrates

    NASA Astrophysics Data System (ADS)

    Smullin, Sylvia; Gerritsen, H. J.; Ling, Xinsheng

    1998-03-01

    We use microstructured substrates as tunable quenched symmetry-breaking fields to study the pinning effects in 2D colloidal crystals. The colloids are monodisperse charged polystyrene microspheres in pure water. In the sealed sample cell, the colloids are confined by two glass slides. A patterned plastic grating is glued on one side of the confining slides. The corrugated surface of the plastic grating becomes charged in water and exerts a periodic electric field on the charged microspheres, tunable by adjusting the confinement distance. We show that, for the first time, by using video microscopy one can observe in real time the novel effects due to the competing interactions. For example, with a square grating we have observed the Novaco-McTague rotation in a floating phase and the Pokrovsky-Talapov domain wall superlattice in a pinned phase. The results from a rough plastic substrate which simulates a random potential (in an attempt to search for a colloidal Bragg glass phase) will also be discussed. This work was supported by the startup funds and a Richard Salomon Faculty Research Award from Brown.

  19. Application of conformal map theory for design of 2-D ultrasonic array structure for NDT imaging application: a feasibility study.

    PubMed

    Ramadas, Sivaram N; Jackson, Joseph C; Dziewierz, Jerzy; O'Leary, Richard; Gachagan, Anthony

    2014-03-01

    Two-dimensional ultrasonic phased arrays are becoming increasingly popular in nondestructive evaluation (NDE). Sparse array element configurations are required to fully exploit the potential benefits of 2-D phased arrays. This paper applies the conformal mapping technique as a means of designing sparse 2-D array layouts for NDE applications. Modeling using both Huygens' field prediction theory and 2-D fast Fourier transformation is employed to study the resulting new structure. A conformal power map was used that, for fixed beam width, was shown in simulations to have a greater contrast than rectangular or random arrays. A prototype aperiodic 2-D array configuration for direct contact operation in steel, with operational frequency ~3 MHz, was designed using the array design principle described in this paper. Experimental results demonstrate a working sparse-array transducer capable of performing volumetric imaging.

  20. Pharmacophore, QSAR, and binding mode studies of substrates of human cytochrome P450 2D6 (CYP2D6) using molecular docking and virtual mutations and an application to chinese herbal medicine screening.

    PubMed

    Mo, Sui-Lin; Liu, Wei-Feng; Li, Chun-Guang; Zhou, Zhi-Wei; Luo, Hai-Bin; Chew, Helen; Liang, Jun; Zhou, Shu-Feng

    2012-07-01

    The highly polymorphic human cytochrome P450 2D6 (CYP2D6) metabolizes about 25% of currently used drugs. In this study, we have explored the interaction of a large number of substrates (n = 120) with wild-type and mutated CYP2D6 by molecular docking using the CDOCKER module. Before we conducted the molecular docking and virtual mutations, the pharmacophore and QSAR models of CYP2D6 substrates were developed and validated. Finally, we explored the interaction of a traditional Chinese herbal formula, Fangjifuling decoction, with CYP2D6 by virtual screening. The optimized pharmacophore model derived from 20 substrates of CYP2D6 contained two hydrophobic features and one hydrogen bond acceptor feature, giving a relevance ratio of 76% when a validation set of substrates were tested. However, our QSAR models gave poor prediction of the binding affinity of substrates. Our docking study demonstrated that 117 out of 120 substrates could be docked into the active site of CYP2D6. Forty one out of 117 substrates (35.04%) formed hydrogen bonds with various active site residues of CYP2D6 and 53 (45.30%) substrates formed a strong π-π interaction with Phe120 (53/54), with only carvedilol showing π-π interaction with Phe483. The active site residues involving hydrogen bond formation with substrates included Leu213, Lys214, Glu216, Ser217, Gln244, Asp301, Ser304, Ala305, Phe483, and Phe484. Furthermore, the CDOCKER algorithm was further applied to study the impact of mutations of 28 active site residues (mostly non-conserved) of CYP2D6 on substrate binding modes using five probe substrates including bufuralol, debrisoquine, dextromethorphan, sparteine, and tramadol. All mutations of the residues examined altered the hydrogen bond formation and/or aromatic interactions, depending on the probe used in molecular docking. Apparent changes of the binding modes have been observed with the Glu216Asp and Asp301Glu mutants. Overall, 60 compounds out of 130 from Fangjifuling decoction

  1. Numerical modeling of the 2D time-domain transient electromagnetic secondary field of the line source of the current excitation

    NASA Astrophysics Data System (ADS)

    Liu, Yun; Wang, Xu-Ben; Wang, Yun

    2013-06-01

    To effectively minimize the electromagnetic field response in the total field solution, we propose a numerical modeling method for the two-dimensional (2D) timedomain transient electromagnetic secondary field of the line source based on the DuFort-Frankel finite-difference method. In the proposed method, we included the treatment of the earth-air boundary conductivity, calculated the normalized partial derivative of the induced electromotive force (Emf), and determined the forward time step. By extending upward the earth-air interface to the air grid nodes and the zero-value boundary conditions, not only we have a method that is more efficient but also simpler than the total field solution. We computed and analyzed the homogeneous half-space model and the flat layered model with high precision—the maximum relative error is less than 0.01% between our method and the analytical method—and the solution speed is roughly three times faster than the total-field solution. Lastly, we used the model of a thin body embedded in a homogeneous half-space at different delay times to depict the downward and upward spreading characteristics of the induced eddy current, and the physical interaction processes between the electromagnetic field and the underground low-resistivity body.

  2. Numerical simulation on the thermal radiative properties of a 2D SiO2/W/SiO2/W layered grating for thermophotovoltaic applications

    NASA Astrophysics Data System (ADS)

    Zhao, Yi; Fu, Ceji

    2016-10-01

    Tailoring the spectrum of thermal emission from the emitter is important for improving the performance of a thermophotovoltaic (TPV) system. In this work, a two-dimensional (2D) layered grating structure made of SiO2 and tungsten (W), which can realize wavelength-selective control of thermal emission, was proposed for a potential emitter in TPV applications. Numerical simulations of the spectral emissivity of the structure from the ultraviolet (UV) to the mid-infrared region reveals that the spectral-normal emissivity of the structure is enhanced to above 0.95 in the wavelength region from 0.55 μm to 1.9 μm for both TE and TM waves, but drops sharply at wavelength larger than 2 μm. Physical mechanisms responsible for the wavelength-selective emissivity were elucidated as due to resonance of magnetic polaritons (MPs) in the SiO2 spacer and in the grooves of the tungsten grating, Wood's anomaly (WA), excitation of surface plasmon polaritons (SPPs) and wave interference. Furthermore, the structure was found to exhibit quasi-diffuse and polarization-insensitive features of thermal emission, suggesting that the proposed structure can serve as the emitter in the design of high performance TPV systems.

  3. Dynamic molecular structure and phase diagram of DPPC-cholesterol binary mixtures: a 2D-ELDOR study.

    PubMed

    Chiang, Yun-Wei; Costa-Filho, Antonio J; Freed, Jack H

    2007-09-27

    This paper is an application of 2D electron-electron double resonance (2D-ELDOR) with the "full Sc- method" to study model membranes. We obtain and confirm the phase diagram of 1,2-dipalmitoyl-sn-glycerophosphatidylcholine (DPPC)-cholesterol binary mixtures versus temperature and provide quantitative descriptions for its dynamic molecular structure using 2D-ELDOR at the Ku band. The spectra from the end-chain 16-PC spin label in multilamellar phospholipid vesicles are obtained for cholesterol molar concentrations ranging from 0 to 50% and from 25 to 60 degrees C. This phase diagram consists of liquid-ordered, liquid-disordered, and gel phases and phase coexistence regions. The phase diagram is carefully examined according to the spectroscopic evidence, and the rigorous interpretation for the line shape changes. We show that the 2D-ELDOR spectra differ markedly with variation in the composition. The extensive line shape changes in the 2D-plus-mixing-time representation provide useful information to define and characterize the membrane phases with respect to their dynamic molecular structures and to determine the phase boundaries. The homogeneous T2's are extracted from the pure absorption spectra and are used to further distinguish the membrane phases. These results show 2D-ELDOR to be naturally suitable for probing and reporting the dynamic structures of microdomains in model membrane systems and, moreover, providing a very detailed picture of their molecular dynamic structure, especially with the aid of the "full Sc- method".

  4. Theoretical studies of effects of 2D plasmonic grating on electrical properties of organic solar cells

    NASA Astrophysics Data System (ADS)

    Sha, Wei E. I.; Choy, Wallace C. H.; Chew, Weng Cho

    2012-09-01

    Although various optical designs and physical mechanisms have been studied both experimentally and theoretically to improve the optical absorption of organic solar cells (OSCs) by incorporating metallic nanostructures, the effects of plasmonic nanostructures on the electrical properties of OSCs is still not fully understood. Hence, it is highly desirable to study the changes of electrical properties induced by plasmonic structures and the corresponding physics for OSCs. In this work, we develop a multiphysics model for plasmonic OSCs by solving the Maxwell's equations and semiconductor equations (Poisson, continuity, and drift-diffusion equations) with unified finite-difference method. Both the optical and electrical properties of OSCs incorporating a 2D metallic grating anode are investigated. For typical active polymer materials, low hole mobility, which is about one magnitude smaller than electron mobility, dominates the electrical property of OSCs. Since surface plasmon resonances excited by the metallic grating will produce concentrated near-field penetrated into the active polymer layer and decayed exponentially away from the metal-polymer interface, a significantly nonuniform and extremely high exciton generation rate is obtained near the grating. Interestingly, the reduced recombination loss and the increased open-circuit voltage can be achieved in plasmonic OSCs. The physical origin of the phenomena lies at direct hole collections to the metallic grating anode with a short transport path. In comparison with the plasmonic OSC, the hole transport in a multilayer planar OSC experiences a long transport path and time because the standard planar OSC has a high exciton generation rate at the transparent front cathode. The unveiled multiphysics is particularly helpful for designing high-performance plasmonic OSCs.

  5. A study of a sector spectrophotometer and auroral O+(2P-2D) emissions

    NASA Technical Reports Server (NTRS)

    Swenson, G. R.

    1976-01-01

    The metastable O+(2P-2D) auroral emission was investigated. The neighboring OH contaminants and low intensity levels of the emission itself necessitated the evolution of an instrument capable of separating the emission from the contaminants and having a high sensitivity in the wavelength region of interest. A new type of scanning photometer was developed and its properties are discussed. The theoretical aspects of auroral electron interaction with atomic oxygen and the resultant O+(2P-2D) emissions were examined in conjunction with N2(+)1NEG emissions. Ground based measurements of O+(2P-2D) auroral emission intensities were made using the spatial scanning photometer (sector spectrophotometer). Simultaneous measurements of N2(+)1NEG sub 1,0 emission intensity were made in the same field of view using a tilting photometer. Time histories of the ratio of these two emissions made in the magnetic zenith during auroral breakup periods are given. Theories of I sub 7319/I sub 4278 of previous investigators were presented. A rocket measurement of N2(+)1NEG sub 0,0 and O+(2P-2D) emission in aurora was examined in detail and was found to agree with the ground based measurements. Theoretical examination resulted in the deduction of the electron impact efficiency generating O+(2P) and also suggests a large source of O+(2P) at low altitude. A possible source is charge exchange of N+(1S) with OI(3P).

  6. [Study on the processing of leech by FTIR and 2D-IR correlation spectroscopy].

    PubMed

    Li, Bing-Ning; Wu, Yan-Wen; Ouyang, Jie; Sun, Su-Qin; Chen, Shun-Cong

    2011-04-01

    The chemical differences of traditional Chinese medicine leech before and after processing were analyzed by FTIR and two-dimensional correlation infrared (2D-IR) spectroscopy. The result showed that the leech was high in protein, with characteristic peaks of amide I, II bands. Comparing the IR spectra of samples, the primary difference was that the characteristic peak of fresh leech was at 1 543 cm(-1), while that of crude and processed leech was at 1 535 cm(-1). A 2D-IR spectrum with heating perturbation was used to track the processing dynamics of leech In the 2D-IR correlation spectra, fresh leech exhibited stronger automatic peaks of the amide I and II bands than that of processed leech, which indicates that the protein components of the fresh leech were more sensitive to heat perturbation than the processed one. Moreover, the result of FTIR and 2D-IR correlation spectra validated that the 3-dimensional structure of protein was damaged and hydrogen bonds were broken after processing, which resulted in the inactivation of protein. The fatty acids and cholesterol components of leech were also oxidized in this process.

  7. D Recording for 2d Delivering - the Employment of 3d Models for Studies and Analyses -

    NASA Astrophysics Data System (ADS)

    Rizzi, A.; Baratti, G.; Jiménez, B.; Girardi, S.; Remondino, F.

    2011-09-01

    In the last years, thanks to the advances of surveying sensors and techniques, many heritage sites could be accurately replicated in digital form with very detailed and impressive results. The actual limits are mainly related to hardware capabilities, computation time and low performance of personal computer. Often, the produced models are not visible on a normal computer and the only solution to easily visualized them is offline using rendered videos. This kind of 3D representations is useful for digital conservation, divulgation purposes or virtual tourism where people can visit places otherwise closed for preservation or security reasons. But many more potentialities and possible applications are available using a 3D model. The problem is the ability to handle 3D data as without adequate knowledge this information is reduced to standard 2D data. This article presents some surveying and 3D modeling experiences within the APSAT project ("Ambiente e Paesaggi dei Siti d'Altura Trentini", i.e. Environment and Landscapes of Upland Sites in Trentino). APSAT is a multidisciplinary project funded by the Autonomous Province of Trento (Italy) with the aim documenting, surveying, studying, analysing and preserving mountainous and hill-top heritage sites located in the region. The project focuses on theoretical, methodological and technological aspects of the archaeological investigation of mountain landscape, considered as the product of sequences of settlements, parcelling-outs, communication networks, resources, and symbolic places. The mountain environment preserves better than others the traces of hunting and gathering, breeding, agricultural, metallurgical, symbolic activities characterised by different lengths and environmental impacts, from Prehistory to the Modern Period. Therefore the correct surveying and documentation of this heritage sites and material is very important. Within the project, the 3DOM unit of FBK is delivering all the surveying and 3D material to

  8. A faster method for 3D/2D medical image registration—a simulation study

    NASA Astrophysics Data System (ADS)

    Birkfellner, Wolfgang; Wirth, Joachim; Burgstaller, Wolfgang; Baumann, Bernard; Staedele, Harald; Hammer, Beat; Claudius Gellrich, Niels; Jacob, Augustinus Ludwig; Regazzoni, Pietro; Messmer, Peter

    2003-08-01

    3D/2D patient-to-computed-tomography (CT) registration is a method to determine a transformation that maps two coordinate systems by comparing a projection image rendered from CT to a real projection image. Iterative variation of the CT's position between rendering steps finally leads to exact registration. Applications include exact patient positioning in radiation therapy, calibration of surgical robots, and pose estimation in computer-aided surgery. One of the problems associated with 3D/2D registration is the fact that finding a registration includes solving a minimization problem in six degrees of freedom (dof) in motion. This results in considerable time requirements since for each iteration step at least one volume rendering has to be computed. We show that by choosing an appropriate world coordinate system and by applying a 2D/2D registration method in each iteration step, the number of iterations can be grossly reduced from n6 to n5. Here, n is the number of discrete variations around a given coordinate. Depending on the configuration of the optimization algorithm, this reduces the total number of iterations necessary to at least 1/3 of it's original value. The method was implemented and extensively tested on simulated x-ray images of a tibia, a pelvis and a skull base. When using one projective image and a discrete full parameter space search for solving the optimization problem, average accuracy was found to be 1.0 +/- 0.6(°) and 4.1 +/- 1.9 (mm) for a registration in six parameters, and 1.0 +/- 0.7(°) and 4.2 +/- 1.6 (mm) when using the 5 + 1 dof method described in this paper. Time requirements were reduced by a factor 3.1. We conclude that this hardware-independent optimization of 3D/2D registration is a step towards increasing the acceptance of this promising method for a wide number of clinical applications.

  9. A faster method for 3D/2D medical image registration--a simulation study.

    PubMed

    Birkfellner, Wolfgang; Wirth, Joachim; Burgstaller, Wolfgang; Baumann, Bernard; Staedele, Harald; Hammer, Beat; Gellrich, Niels Claudius; Jacob, Augustinus Ludwig; Regazzoni, Pietro; Messmer, Peter

    2003-08-21

    3D/2D patient-to-computed-tomography (CT) registration is a method to determine a transformation that maps two coordinate systems by comparing a projection image rendered from CT to a real projection image. Iterative variation of the CT's position between rendering steps finally leads to exact registration. Applications include exact patient positioning in radiation therapy, calibration of surgical robots, and pose estimation in computer-aided surgery. One of the problems associated with 3D/2D registration is the fact that finding a registration includes solving a minimization problem in six degrees of freedom (dof) in motion. This results in considerable time requirements since for each iteration step at least one volume rendering has to be computed. We show that by choosing an appropriate world coordinate system and by applying a 2D/2D registration method in each iteration step, the number of iterations can be grossly reduced from n6 to n5. Here, n is the number of discrete variations around a given coordinate. Depending on the configuration of the optimization algorithm, this reduces the total number of iterations necessary to at least 1/3 of it's original value. The method was implemented and extensively tested on simulated x-ray images of a tibia, a pelvis and a skull base. When using one projective image and a discrete full parameter space search for solving the optimization problem, average accuracy was found to be 1.0 +/- 0.6(degrees) and 4.1 +/- 1.9 (mm) for a registration in six parameters, and 1.0 +/- 0.7(degrees) and 4.2 +/- 1.6 (mm) when using the 5 + 1 dof method described in this paper. Time requirements were reduced by a factor 3.1. We conclude that this hardware-independent optimization of 3D/2D registration is a step towards increasing the acceptance of this promising method for a wide number of clinical applications.

  10. BET_VH probabilistic assessment of pyroclastic flows hazard at El Misti volcano, South Peru, based on geological record and numerical simulations with TITAN2D

    NASA Astrophysics Data System (ADS)

    Constantinescu, R.; Thouret, J. C.; Sandri, L.; Irimus, I. A.; Stefanescu, R.

    2012-04-01

    Pyroclastic density currents, which include pyroclastic surges and pyroclastic flows (PFs), are among the most dangerous volcanic phenomena. We present a probabilistic hazard assessment of the PFs generated from eruptive column collapse at El Misti volcano (5822 m) in South Peru. The high relief of the cone, the location of the city of Arequipa (~1,000,000 people) on two large volcanoclastic fans and the H (3.5 km)/L (17 km) ratio (0.2) between the summit and the city center, make PFs a direct threat. We consider three eruption scenario sizes: small Vulcanian/Phreatomagmatic (VEI 2), medium Sub-Plinian (VEI 3-4), and large Plinian (VEI 4+). We use the Event-Tree approach in a Bayesian scheme with BET_VH (Bayesian Event Tree for Volcanic Hazard) software. Quantitative data that stem from numerical simulations from TITAN2D (termed prior models) and from stratigraphic record (termed past data) are input to BET_VH, which enables us to compute the probabilities (in a 1-year time window) of (i) having an eruption (ii) in a selected location/vent (iii) of a specific size, (iv) and that this eruption will produce PFs (v) that will reach a location of interest around El Misti. TITAN2D simulation runs, expressed as color-coded thicknesses of PDC deposits, fit well the extent of past PFs deposits, including thick confined deposits (0.5-7 m) in the Rio Chili canyon and its tributary ravines (Quebradas San Lazaro, Huarangal and Agua Salada).The unconfined, thinner (≤10cm) deposits, as displayed by simulation runs on the interfluves, is attributed to ash-cloud surges. Such thin, fine ash deposits have not been emphasized in geological maps either because they have been removed away or remain yet unrecognized. The simulated Vulcanian flows, restricted to the upper part of the cone, become confined (0.1-1m thick) in the ravines which converge towards each of the three Quebradas. The simulated Subplinian PF deposits reach 0.1 to 1 m thick in the Quebradas and 1-4 m WNW of El

  11. Time resolved spectroscopic investigation of SiD2 + D2: kinetic study

    NASA Astrophysics Data System (ADS)

    Al-Rubaiey, Najem A.; Walsh, Robin

    2017-03-01

    Silylenes (silanediyls) have made an important impact on organosilicon chemistry even if it is of more recent foundation than carbenes in organic chemistry and much less complete. These species are highly reactive intermediates. They play a central role in the chemical vapour deposition (CVD) of various silicon-containing thin films which have a technological importance in microelectronics as well as in the dry etching processes of silicon wafers. Spectroscopic methods have been developed to observe these species, a necessary pre-requisite to their direct monitoring. In this work, deuterated phenylsilane precursor, PhSiD3 was chosen for SiD2 because its analogue phenylsilane, PhSiH3 proved to be a good precursor for SiH2 and the high quality decay signals observed revealed that SiD2 be readily detected from PhSiD3 and that if other decomposition pathways (e.g. PhSiD + D2) are occurring, they do not effect measurements of the rate constants for SiD2. The absorption spectrum of SiD2 formed from the flash photolysis of a mixture of PhSiD3 and SF6 at 193nm were found in the region 17384-17391 cm-1 with strong band at 17387.07 cm-1. This single rotational line of pQ1 was chosen to monitor SiD2 removal. Time-resolved studies of SiD2 have been carried out to obtain rate constants for its bimolecular reactions with D2. The reactions were studied over the pressure range 5-100 Torr (in SF6 bath gas) at four temperatures in the range 298-498K. Single decay from 10 photolysis laser shots were averaged and found to give reasonable first-order kinetics fits. Second order kinetics were obtained by pressure dependence of the pseudo first order decay constants and substance D2 pressures within experimental error. The reaction was found to be weakly pressure dependent at all temperatures, consistent with a third-body mediated association process. In addition, SiH2+ H2 reaction is approximately ca. 60% faster than SiD2+D2 reaction. Theoretical extrapolations (using Lindemann

  12. Surface wave phase velocities from 2-D surface wave tomography studies in the Anatolian plate

    NASA Astrophysics Data System (ADS)

    Arif Kutlu, Yusuf; Erduran, Murat; Çakır, Özcan; Vinnik, Lev; Kosarev, Grigoriy; Oreshin, Sergey

    2014-05-01

    We study the Rayleigh and Love surface wave fundamental mode propagation beneath the Anatolian plate. To examine the inter-station phase velocities a two-station method is used along with the Multiple Filter Technique (MFT) in the Computer Programs in Seismology (Herrmann and Ammon, 2004). The near-station waveform is deconvolved from the far-station waveform removing the propagation effects between the source and the station. This method requires that the near and far stations are aligned with the epicentre on a great circle path. The azimuthal difference of the earthquake to the two-stations and the azimuthal difference between the earthquake and the station are restricted to be smaller than 5o. We selected 3378 teleseismic events (Mw >= 5.7) recorded by 394 broadband local stations with high signal-to-noise ratio within the years 1999-2013. Corrected for the instrument response suitable seismogram pairs are analyzed with the two-station method yielding a collection of phase velocity curves in various period ranges (mainly in the range 25-185 sec). Diffraction from lateral heterogeneities, multipathing, interference of Rayleigh and Love waves can alter the dispersion measurements. In order to obtain quality measurements, we select only smooth portions of the phase velocity curves, remove outliers and average over many measurements. We discard these average phase velocity curves suspected of suffering from phase wrapping errors by comparing them with a reference Earth model (IASP91 by Kennett and Engdahl, 1991). The outlined analysis procedure yields 3035 Rayleigh and 1637 Love individual phase velocity curves. To obtain Rayleigh and Love wave travel times for a given region we performed 2-D tomographic inversion for which the Fast Marching Surface Tomography (FMST) code developed by N. Rawlinson at the Australian National University was utilized. This software package is based on the multistage fast marching method by Rawlinson and Sambridge (2004a, 2004b). The

  13. Isolation and 2D NMR Studies of Alkaloids from Comptonella sessilifoliola1.

    PubMed

    Pusset, J; Lopez, J L; Pais, M; Neirabeyeh, M A; Veillon, J M

    1991-04-01

    Six known furanoquinoline alkaloids have been isolated from the wood and trunk bark of COMPTONELLA SESSILIFOLIOLA (Guillaumin) Hartley (Rutaceae). 2D NMR experiments gave the assignment of all the signals for both (1)H- and (13)C-NMR spectra. Pteleine and kokusaginine were used as models. The two-dimensional carbon-proton correlation experiments, performed for the first time on furanoquinoline alkaloids, led us to correct (13)C-NMR assignments previously described in the literature.

  14. In silico study on the inhibitory interaction of drugs with wild-type CYP2D6.1 and the natural variant CYP2D6.17.

    PubMed

    Handa, Koichi; Nakagome, Izumi; Yamaotsu, Noriyuki; Gouda, Hiroaki; Hirono, Shuichi

    2014-01-01

    The natural variant of the cytochrome P450 enzyme CYP2D6.1, CYP2D6.17, is most common in African populations, has three amino acid substitutions (T107I, R296C, and S486T) compared to the wild-type, and is known to have a different ligand preference from CYP2D6.1. It is becoming increasingly important to understand differences in the metabolism of medicines in different ethnic groups in order to assess the relevance of clinical data from different countries. This study investigated differences in the inhibition profiles of drugs for CYP2D6 with respect to gene polymorphisms. Firstly, we used computer docking with six drugs to several CYP2D6.1 structures, sampled from the trajectory of MD simulations, and calculated MM-GB/SA scores representing binding free energies. We then used regression analysis to predict the potency with which drugs inhibited CYP2D6.1 based on MM-GB/SA scores. The pKi-values obtained were in good agreement with experimental values measured for the six drugs (r(2) = 0.81). We carried out the same analysis for CYP2D6.17 and the pKi-values calculated were also in good agreement with experimental values (r(2) = 0.92). Finally, we were able to successfully explain the different abilities of CYP2D6.1 and CYP2D6.17 to metabolize drugs in different ethnic groups with reference to their 3D-structures.

  15. In-situ Hydrogen Sorption 2D-ACAR Facility for the Study of Metal Hydrides for Hydrogen Storage

    NASA Astrophysics Data System (ADS)

    Legerstee, W. J.; de Roode, J.; Anastasopol, A.; Falub, C. V.; Eijt, S. W. H.

    We developed a dedicated hydrogen sorption setup coupled to a positron 2D-ACAR (two-dimensional Angular Correlation of Annihilation Radiation) setup employing a 22Na-source, which will enable to collect 2D-ACAR momentum distributions in-situ as a function of temperature, hydrogen pressure and hydrogen content. In parallel, a dedicated glovebox was constructed for handling air-sensitive metal and metal hydride samples, with a special entrance for the 2D-ACAR sample insert. The 2D-ACAR setup was tested in first measurements on a Pd0.75Ag0.25 foil and on a ball-milled MgH2 powder in both the hydrogen loaded and desorbed states. The hydrogen loaded Pd0.75Ag0.25Hx sample was kept under a 1 bar hydrogen pressure to prevent partial desorption during measurements at room temperature. The collected 2D-ACAR distributions of Pd0.75Ag0.25 and Pd0.75Ag0.25Hx showed similar features as observed in previous studies. The broadening of the ACAR distributions observed for the Mg to MgH2 metal-insulator transition was compared in a quantitative manner to ab-initio calculations reported in the literature.

  16. Exploratory User Study to Evaluate the Effect of Street Name Changes on Route Planning Using 2d Maps

    NASA Astrophysics Data System (ADS)

    Rautenbach, Victoria; Coetzee, Serena; Hankel, Melissa

    2016-06-01

    This paper presents the results of an exploratory user study using 2D maps to observe and analyse the effect of street name changes on prospective route planning. The study is part of a larger research initiative to understand the effect of street name changes on wayfinding. The common perception is that street name changes affect our ability to navigate an environment, but this has not yet been tested with an empirical user study. A combination of a survey, the thinking aloud method and eye tracking was used with a group of 20 participants, mainly geoinformatics students. A within-subject participant assignment was used. Independent variables were the street network (regular and irregular) and orientation cues (street names and landmarks) portrayed on a 2D map. Dependent variables recorded were the performance (were the participant able to plan a route between the origin and destination?); the accuracy (was the shortest path identified?); the time taken to complete a task; and fixation points with eye tracking. Overall, the results of this exploratory study suggest that street name changes impact the prospective route planning performance and process that individuals use with 2D maps. The results contribute to understanding how route planning changes when street names are changed on 2D maps. It also contributes to the design of future user studies. To generalise the findings, the study needs to be repeated with a larger group of participants.

  17. A feasibility study using radiochromic films for fast neutron 2D passive dosimetry

    PubMed Central

    Brady, Samuel L; Gunasingha, Rathnayaka; Yoshizumi, Terry T; Howell, Calvin R; Crowell, Alexander S; Fallin, Brent; Tonchev, Anton P; Dewhirst, Mark W

    2013-01-01

    The objective of this paper is threefold: (1) to establish sensitivity of XRQA and EBT radiochromic films to fast neutron exposure; (2) to develop a film response to radiation dose calibration curve and (3) to investigate a two-dimensional (2D) film dosimetry technique for use in establishing an experimental setup for a radiobiological irradiation of mice and to assess the dose to the mice in this setup. The films were exposed to a 10 MeV neutron beam via the 2H(d,n)3He reaction. The XRQA film response was a factor of 1.39 greater than EBT film response to the 10 MeV neutron beam when exposed to a neutron dose of 165 cGy. A film response-to-soft tissue dose calibration function was established over a range of 0–10 Gy and had a goodness of fit of 0.9926 with the calibration data. The 2D film dosimetry technique estimated the neutron dose to the mice by measuring the dose using a mouse phantom and by placing a piece of film on the exterior of the experimental mouse setup. The film results were benchmarked using Monte Carlo and aluminum (Al) foil activation measurements. The radiochromic film, Monte Carlo and Al foil dose measurements were strongly correlated, and the film within the mouse phantom agreed to better than 7% of the externally mounted films. These results demonstrated the potential application of radiochromic films for passive 2D neutron dosimetry. PMID:20693612

  18. High resolution study of the six lowest doubly excited vibrational states of PH 2D

    NASA Astrophysics Data System (ADS)

    Leroy, C.; Ulenikov, O. N.; Bekhtereva, E. S.; Onopenko, G. A.; Chudinova, T. D.

    2005-12-01

    The five lowest doubly excited deformational vibrational bands ν4 + ν6, 2 ν6, ν3 + ν4, ν3 + ν6, and 2 ν3 of PH 2D have been recorded for the first time using a Bruker 120 HR interferometer with a resolution 0.0033 cm -1 and analysed. Some transitions belonging to a very weak band 2 ν4 have been also assigned. From the fit 24 and 86, respectively, diagonal and resonance interaction parameters were obtained which reproduce 1089 upper energy levels obtained from more than 4600 assigned transitions with the rms deviation of 0.00059 cm -1.

  19. High frequency of CYP2D6 ultrarapid metabolizers in Spain: controversy about their misclassification in worldwide population studies.

    PubMed

    Naranjo, M E G; de Andrés, F; Delgado, A; Cobaleda, J; Peñas-Lledó, E M; LLerena, A

    2016-10-01

    A high frequency (7-10%) of CYP2D6 ultrarapid metabolizers estimated from the genotype (gUMs) has been claimed to exist among Spaniards and Southern Europeans. However, methodological aspects such as the inclusion of individuals carrying non-active multiplied alleles as gUMs may have led to an overestimation. Thus, this study aimed to analyze the gUM frequency (considering only those carrying more than two active genes) in 805 Spanish healthy volunteers studied for CYP2D6*2, *3, *4, *5, *6, *10, *17, *35, *41, and multiplications. Second, all worldwide studies reporting gUM frequencies were reviewed in order to evaluate potential misclassifications. The gUM frequency in this Spanish population was 5.34%, but increased to 8.3% if all individuals with CYP2D6 multiplications were classified as gUMs without considering the activity of the multiplied alleles. Moreover, among all reviewed worldwide studies only 55.6% precisely determined whether the multiplied alleles were active. Present results suggest that the evaluation of CYP2D6 ultrarapid metabolism should be standarized, and that the frequency of gUMs should be reconsidered in Spaniards and globally.

  20. Computational study of a magnetic design to improve the diagnosis of malaria: 2D model

    NASA Astrophysics Data System (ADS)

    Vyas, Siddharth; Genis, Vladimir; Friedman, Gary

    2017-02-01

    This paper investigates the feasibility of a cost effective high gradient magnetic separation based device for the detection and identification of malaria parasites in a blood sample. The design utilizes magnetic properties of hemozoin present in malaria-infected red blood cells (mRBCs) in order to separate and concentrate them inside a microfluidic channel slide for easier examination under the microscope. The design consists of a rectangular microfluidic channel with multiple magnetic wires positioned on top of and underneath it along the length of the channel at a small angle with respect to the channel axis. Strong magnetic field gradients, produced by the wires, exert sufficient magnetic forces on the mRBCs in order to separate and concentrate them in a specific region small enough to fit within the microscope field of view at magnifications typically required to identify the malaria parasite type. The feasibility of the device is studied using a model where the trajectories of the mRBCs inside the channel are determined using first-order ordinary differential equations (ODEs) solved numerically using a multistep ODE solver available within MATLAB. The mRBCs trajectories reveal that it is possible to separate and concentrate the mRBCs in less than 5 min, even in cases of very low parasitemia (1-10 parasites/μL of blood) using blood sample volumes of around 3 μL employed today.

  1. Optical and electrical study of organic solar cells with a 2D grating anode.

    PubMed

    Sha, Wei E I; Choy, Wallace C H; Wu, Yumao; Chew, Weng Cho

    2012-01-30

    We investigate both optical and electrical properties of organic solar cells (OSCs) incorporating 2D periodic metallic back grating as an anode. Using a unified finite-difference approach, the multiphysics modeling framework for plasmonic OSCs is established to seamlessly connect the photon absorption with carrier transport and collection by solving the Maxwell's equations and semiconductor equations (Poisson, continuity, and drift-diffusion equations). Due to the excited surface plasmon resonance, the significantly nonuniform and extremely high exciton generation rate near the metallic grating are strongly confirmed by our theoretical model. Remarkably, the nonuniform exciton generation indeed does not induce more recombination loss or smaller open-circuit voltage compared to 1D multilayer standard OSC device. The increased open-circuit voltage and reduced recombination loss by the plasmonic OSC are attributed to direct hole collections at the metallic grating anode with a short transport path. The work provides an important multiphysics understanding for plasmonic organic photovoltaics.

  2. Study of the mechanical behavior of a 2-D carbon-carbon composite

    NASA Technical Reports Server (NTRS)

    Avery, W. B.; Herakovich, C. T.

    1987-01-01

    The out-of-plane fracture of a 2-D carbon-carbon composite was observed and characterized to gain an understanding of the factors influencing the stress distribution in such a laminate. Finite element analyses of a two-ply carbon-carbon composite under in-plane, out-of-plane, and thermal loading were performed. Under in-plane loading all components of stress were strong functions of geometry. Additionally, large thermal stresses were predicted. Out-of-plane tensile tests revealed that failure was interlaminar, and that cracks propagated along the fiber-matrix interface. An elasticity solution was utilized to analyze an orthotropic fiber in an isotropic matrix under uniform thermal load. The analysis reveals that the stress distributions in a transversely orthotropic fiber are radically different than those predicted assuming the fiber to be transversely isotropic.

  3. 2-D Modeling of the Variability of the Solar Interior for Climate Studies

    NASA Astrophysics Data System (ADS)

    Sofia, S.; Li, L. H.; Spada, F.; Ventura, P.

    2012-07-01

    To establish the possible influence of solar variability on climate, it is necessary to understand the luminosity changes induced by a variable dynamo magnetic field. To accomplish this, we have developed a 2D code of the structure and evolution of the solar interior (based on the 1D YREC code), that includes rotation, magnetic fields of arbitrary configuration, and turbulence, that can be run on very short time scales (down to 1 year), and that represents all global parameters (R, L, Teff) with a relative accuracy of 1 part per million, or better. This paper discusses the motivation for this work, the structure and the physical components of the code, and its application to interpret the results of the SODISM experiment on the PICARD satellite, and of the balloon-borne Solar Disk Sextant (SDS) experiment.

  4. Carbonate fracture stratigraphy: An integrated outcrop and 2D discrete element modelling study

    NASA Astrophysics Data System (ADS)

    Spence, Guy; Finch, Emma

    2013-04-01

    Constraining fracture stratigraphy is important as natural fractures control primary fluid flow in low matrix permeability naturally fractured carbonate hydrocarbon reservoirs. Away from the influence of folds and faults, stratigraphic controls are known to be the major control on fracture networks. The fracture stratigraphy of carbonate nodular-chert rhythmite successions are investigated using a Discrete Element Modelling (DEM) technique and validated against observations from outcrops. Comparisons are made to the naturally fractured carbonates of the Eocene Thebes Formation exposed in the west central Sinai of Egypt, which form reservoir rocks in the nearby East Ras Budran Field. DEM allows mechanical stratigraphy to be defined as the starting conditions from which forward numerical modelling can generate fracture stratigraphy. DEM can incorporate both stratigraphic and lateral heterogeneity, and enable mechanical and fracture stratigraphy to be characterised separately. Stratally bound stratified chert nodules below bedding surfaces generate closely spaced lateral heterogeneity in physical properties at stratigraphic mechanical interfaces. This generates extra complexity in natural fracture networks in addition to that caused by bed thickness and lithological physical properties. A series of representative geologically appropriate synthetic mechanical stratigraphic models were tested. Fracture networks generated in 15 DEM experiments designed to isolate and constrain the effects of nodular chert rhythmites on carbonate fracture stratigraphy are presented. The discrete element media used to model the elastic strengths of rocks contain 72,866 individual elements. Mechanical stratigraphies and the fracture networks generated are placed in a sequence stratigraphic framework. Nodular chert rhythmite successions are shown to be a distinct type of naturally fractured carbonate reservoir. Qualitative stratigraphic rules for predicting the distribution, lengths, spacing

  5. Enhanced charge separation at 2D MoS2/ZnS heterojunction: KPFM based study of interface photovoltage

    NASA Astrophysics Data System (ADS)

    Sharma, Intu; Mehta, B. R.

    2017-02-01

    Two dimensional (2D) MoS2/ZnS heterojunctions with MoS2 thickness varying from monolayer to bulk have been prepared by sulfurization of a controlled thickness of Mo deposited on the ZnS thin films. Kelvin probe force microscopy measurements on MoS2/ZnS junction having varying thicknesses of MoS2 layers are carried out in the surface and junction modes, under white light exposure. Differences in the surface potential values of the surface and junction modes represent interface photovoltages at heterojunctions. Enhanced interface photovoltage is observed in junctions having the mono and few layer MoS2 in comparison to bulk MoS2 layer. This suggests the active participation of 2D MoS2 layer in photon absorption and charge separation processes taking place close to the junction. The present study is an effort towards the integration of 2D layered materials with 3D semiconductors, which may be advantageous for the development of 2D material based optoelectronic devices.

  6. 3D behaviour of contamination in landfill sites using 2D resistivity/IP imaging: case studies in Portugal

    NASA Astrophysics Data System (ADS)

    Martinho, E.; Almeida, F.

    2006-04-01

    Aiming at defining a valid spatial contamination model, resistivity and induced polarization (IP) measurements were used to investigate contamination plumes in the vicinity of two municipal landfills (Ovar and Ílhavo). Previous geophysical surveys and underground water samples confirmed the contamination. However 2D resistivity/IP surveys enabled in obtaining a more accurate spatial model. The Ovar survey consisted of two profiles with nine Wenner soundings each; the Ílhavo survey was carried out along two individual lines using a Wenner standard pseudo-section. In both situations, negative IP values were found associated with positive IP values, which can be explained mainly by 2D or 3D geometric effects caused by the presence of the conductive plumes. The data were modelled using a 2D inversion program (RES2DINV) and the resulting resistivity and chargeability distributions were displayed as pseudo-sections. The resistivity and chargeability pseudo-sections define the contamination plumes and the sedimentary structure. These case studies illustrate the advantages of 2D resistivity/IP surveys for the mapping of shape and dimension of contamination associated with landfills.

  7. Toward IMRT 2D dose modeling using artificial neural networks: A feasibility study

    SciTech Connect

    Kalantzis, Georgios; Vasquez-Quino, Luis A.; Zalman, Travis; Pratx, Guillem; Lei, Yu

    2011-10-15

    Purpose: To investigate the feasibility of artificial neural networks (ANN) to reconstruct dose maps for intensity modulated radiation treatment (IMRT) fields compared with those of the treatment planning system (TPS). Methods: An artificial feed forward neural network and the back-propagation learning algorithm have been used to replicate dose calculations of IMRT fields obtained from PINNACLE{sup 3} v9.0. The ANN was trained with fluence and dose maps of IMRT fields for 6 MV x-rays, which were obtained from the amorphous silicon (a-Si) electronic portal imaging device of Novalis TX. Those fluence distributions were imported to the TPS and the dose maps were calculated on the horizontal midpoint plane of a water equivalent homogeneous cylindrical virtual phantom. Each exported 2D dose distribution from the TPS was classified into two clusters of high and low dose regions, respectively, based on the K-means algorithm and the Euclidian metric in the fluence-dose domain. The data of each cluster were divided into two sets for the training and validation phase of the ANN, respectively. After the completion of the ANN training phase, 2D dose maps were reconstructed by the ANN and isodose distributions were created. The dose maps reconstructed by ANN were evaluated and compared with the TPS, where the mean absolute deviation of the dose and the {gamma}-index were used. Results: A good agreement between the doses calculated from the TPS and the trained ANN was achieved. In particular, an average relative dosimetric difference of 4.6% and an average {gamma}-index passing rate of 93% were obtained for low dose regions, and a dosimetric difference of 2.3% and an average {gamma}-index passing rate of 97% for high dose region. Conclusions: An artificial neural network has been developed to convert fluence maps to corresponding dose maps. The feasibility and potential of an artificial neural network to replicate complex convolution kernels in the TPS for IMRT dose calculations

  8. Isotope-Labeled Amyloids via Synthesis, Expression, and Chemical Ligation for Use in FTIR, 2D IR, and NMR Studies.

    PubMed

    Zhang, Tianqi O; Grechko, Maksim; Moran, Sean D; Zanni, Martin T

    2016-01-01

    This chapter provides protocols for isotope-labeling the human islet amyloid polypeptide (hIAPP or amylin) involved in type II diabetes and γD-crystallin involved in cataract formation. Because isotope labeling improves the structural resolution, these protocols are useful for experiments using Fourier transform infrared (FTIR), two-dimensional infrared (2D IR), and NMR spectroscopies. Our research group specializes in using 2D IR spectroscopy and isotope labeling. 2D IR spectroscopy provides structural information by measuring solvation from 2D diagonal lineshapes and vibrational couplings from cross peaks. Infrared spectroscopy can be used to study kinetics, membrane proteins, and aggregated proteins. Isotope labeling provides greater certainty in the spectral assignment, which enables new structural insights that are difficult to obtain with other methods. For amylin, we provide a protocol for (13)C/(18)O labeling backbone carbonyls at one or more desired amino acids in order to obtain residue-specific structural resolution. We also provide a protocol for expressing and purifying amylin from E. coli, which enables uniform (13)C or (13)C/(15)N labeling. Uniform labeling is useful for measuring the monomer infrared spectrum in an amyloid oligomer or fiber as well as amyloid protein bound to another polypeptide or protein, such as a chaperone or an inhibitor. In addition, our expression protocol results in 2-2.5 mg of amylin peptide per 1 L cell culture, which is a high enough yield to straightforwardly obtain the 2-10 mg needed for high resolution and solid-state NMR experiments. Finally, we provide a protocol to isotope-label either of the two domains of γD-crystallin using expressed protein ligation. Domain labeling makes it possible to resolve the structures of the two halves of the protein in FTIR and 2D IR spectra. With modifications, these strategies and protocols for isotope labeling can be applied to other amyloid polypeptides and proteins.

  9. Sensitivity of 2D IR Spectra to Peptide Helicity: A Concerted Experimental and Simulation Study of an Octapeptide

    PubMed Central

    Sengupta, Neelanjana; Maekawa, Hiroaki; Zhuang, Wei; Toniolo, Claudio; Mukamel, Shaul; Tobias, Douglas J.; Ge, Nien-Hui

    2010-01-01

    We have investigated the sensitivity of two-dimensional infrared (2D IR) spectroscopy to peptide helicity with an experimental and theoretical study of Z-[L-(αMe)Val]8-OtBu in CDCl3. 2D IR experiments were carried out in the amide-I region under the parallel and the double-crossed polarization configurations. In the latter polarization configuration, the 2D spectra taken with the rephasing and nonrephasing pulse sequences exhibit a doublet feature and a single peak, respectively. These cross-peak patterns are highly sensitive to the underlying peptide structure. Spectral calculations were performed on the basis of a vibrational exciton model, with the local mode frequencies and couplings calculated from snapshots of molecular dynamics (MD) simulation trajectories using six different models for the Hamiltonian. Conformationally variant segments of the MD trajectory, while reproducing the main features of the experimental spectra, are characterized by extraneous features, suggesting that the structural ensembles sampled by the simulation are too broad. By imposing periodic restraints on the peptide dihedral angles with the crystal structure as a reference, much better agreement between the measured and the calculated spectra was achieved. The result indicates that the structure of Z-[L-(αMe)Val]8-OtBu in CDCl3 is a fully developed 310-helix with only a small fraction of α-helical or nonhelical conformations in the middle of the peptide. Of the four different combinations of pulse sequences and polarization configurations, the nonrephasing double-crossed polarization 2D IR spectrum exhibits the highest sensitivity in detecting conformational variation. Of the six local mode frequency models tested, the electrostatic maps of Mukamel and Cho perform the best. Our results show that the high sensitivity of 2D IR spectroscopy can provide a useful basis for developing methods to improve the sampling accuracy of force fields and for characterizing the relative merits of

  10. 2D-DIGE as a proteomic biomarker discovery tool in environmental studies with Procambarus clarkii.

    PubMed

    Fernández-Cisnal, Ricardo; García-Sevillano, Miguel A; Gómez-Ariza, José L; Pueyo, Carmen; López-Barea, Juan; Abril, Nieves

    2017-04-15

    A 2D-DIGE/MS approach was used to assess protein abundance differences in the red swamp crayfish Procambarus clarkii from polluted aquatic ecosystems of Doñana National Park and surrounding areas with different pollution loads. Procambarus clarkii accumulated metals in the digestive glands and gills reflecting sediment concentrations. We first stated that, probably related to elements accumulation, pollution increased oxidative damage in P. clarkii tissues, as shown by the thiol oxidation status of proteins and MDA levels. In these animals, the altered redox status might be responsible for the deregulated abundance of proteins involved in cellular responses to oxidative stress including protein folding, mitochondrial imbalance and inflammatory processes. Interestingly, polluted P. clarkii crayfish also displayed a metabolic shift to enhanced aerobic glycolysis, most likely aimed at generating ATP and reduction equivalents in an oxidative stress situation that alters mitochondrial integrity. The deregulated proteins define the physiological processes affected by pollutants in DNP and its surrounding areas and may help us to unravel the molecular mechanisms underlying the toxicity of environmental pollutants. In addition, these proteins might be used as exposure biomarkers in environmental risk assessment. The results obtained might be extrapolated to many other locations all over the world and have the added value of providing information about the molecular responses of this environmentally and economically interesting animal.

  11. 2D electrostatic PIC algorithm for laser induced studying plasma in vacuum

    NASA Astrophysics Data System (ADS)

    Álvarez, C. A.; Riascos, H.; Gonzalez, C.

    2016-02-01

    Particle-In-Cell(PIC) method is widely used for simulating plasma kinetic models. A 2D-PIC electrostatic algorithm is implemented for simulating the expansion of a laser- induced plasma plume. For potential and Electric Field calculation, Dirichlet and periodic boundary conditions are used in the X (perpendicular to the ablated material) and Y directions, respectively. Poisson-solver employs FFTW3 library and the five-point Laplacian to compute the electric potential. Electric field calculation is made by central finite differences method. Leap-frog scheme updates particle positions and velocities at each iteration. Plume expansion anlysis is done for the Emission and Post-Emission stages. In the Emission phase (while the laser is turned on), fast electron expansion is observed and ion particles remain near the surface of the ablated material. In the post-emission stage (with the laser turned off) the charge separation produces an electric field that accelerates the ions leading to the formation of a KeV per particle Ion-Front. At the end of the expansion, fastest electrons escape from the simulation space; an almost homogeneous ion-electron distribution is observed, decreasing the electric field value and the Coulomb interactions.

  12. Development of electrokinetic remediation for caesium: A feasibility study of 2D electrode configuration system

    NASA Astrophysics Data System (ADS)

    Syah Putra, Rudy

    2016-02-01

    Agar matrix was artificially contaminated with caesium and subjected to rapid assessment of electrokinetic treatment on the basis of the 2D electrode configuration. The effect of caesium concentration on the process was investigated using different electrode configuration (i.e. rectangular, hexagonal and triangular). During treatment the in situ pH distribution, the current flow, and the potential distribution were monitored. At the end of the treatment, the caesium concentration distribution was measured. The results of these experiments showed that for caesium contamination, pH control is essential in order to create a suitable environment throughout the agar matrix to enable contaminant removal. It was found that the type of electrode configuration used to control the pH affected the rate of caesium accumulation. All of the electrode configurations tested was effective, but the highest caesium extraction was achieved when the hexagonal pattern was used to control the pH. After 72 h of treatment at 50 mA, the concentration of caesium decreased gradually from the second and first layer of agar matrix throughout the cell, suggesting that most of the caesium was concentrated on the cathode part.

  13. 2D dry granular free-surface transient flow over complex topography with obstacles. Part II: Numerical predictions of fluid structures and benchmarking

    NASA Astrophysics Data System (ADS)

    Juez, C.; Caviedes-Voullième, D.; Murillo, J.; García-Navarro, P.

    2014-12-01

    Dense granular flows are present in geophysics and in several industrial processes, which has lead to an increasing interest for the knowledge and understanding of the physics which govern their propagation. For this reason, a wide range of laboratory experiments on gravity-driven flows have been carried out during the last two decades. The present work is focused on geomorphological processes and, following previous work, a series of laboratory studies which constitute a further step in mimicking natural phenomena are described and simulated. Three situations are considered with some common properties: a two-dimensional configuration, variable slope of the topography and the presence of obstacles. The setup and measurement technique employed during the development of these experiments are deeply explained in the companion work. The first experiment is based on a single obstacle, the second one is performed against multiple obstacles and the third one studies the influence of a dike on which overtopping occurs. Due to the impact of the flow against the obstacles, fast moving shocks appear, and a variety of secondary waves emerge. In order to delve into the physics of these types of phenomena, a shock-capturing numerical scheme is used to simulate the cases. The suitability of the mathematical models employed in this work has been previously validated. Comparisons between computed and experimental data are presented for the three cases. The computed results show that the numerical tool is able to predict faithfully the overall behavior of this type of complex dense granular flow.

  14. Monolignol acylation and lignin structure in some nonwoody plants: a 2D NMR study.

    PubMed

    Martínez, Angel T; Rencoret, Jorge; Marques, Gisela; Gutiérrez, Ana; Ibarra, David; Jiménez-Barbero, Jesús; del Río, José C

    2008-11-01

    Lignins from three nonwoody angiosperms were analyzed by 2D NMR revealing important differences in their molecular structures. The Musa textilis milled-wood-lignin (MWL), with a syringyl-to-guaiacyl (S/G) ratio of 9, was strongly acylated (near 85% of side-chains) at the gamma-carbon by both acetates and p-coumarates, as estimated from (1)H-(13)C correlations in C(gamma)-esterified and C(gamma)-OH units. The p-coumarate H(3,5)-C(3,5) correlation signal was completely displaced by acetylation, and disappeared after alkali treatment, indicating that p-coumaric acid was esterified maintaining its free phenolic group. By contrast, the Cannabis sativa MWL (S/G approximately 0.8) was free of acylating groups, and the Agave sisalana MWL (S/G approximately 4) showed high acylation degree (near 80%) but exclusively with acetates. Extensive C(gamma)-acylation results in the absence (in M. textilis lignin) or low abundance (4% in A. sisalana lignin) of beta-beta' resinol linkages, which require free C(gamma)-OH to form the double tetrahydrofuran ring. However, minor signals revealed unusual acylated beta-beta' structures confirming that acylation is produced at the monolignol level, in agreement with chromatographic identification of gamma-acetylated sinapyl alcohol among the plant extractives. In contrast, resinol substructures involved 22% side-chains in the C.sativa MWL. The ratio between beta-beta' and beta-O-4' side-chains in these and other MWL varied from 0.32 in C.sativa MWL to 0.02 in M. textilis MWL, and was inversely correlated with the degree of acylation. The opposite was observed for the S/G ratio that was directly correlated with the acylation degree. Monolignol acylation is discussed as a mechanism potentially involved in the control of lignin structure.

  15. FT-Raman study of cinchonine aqueous solutions with varying pH; 2D correlation method

    NASA Astrophysics Data System (ADS)

    Wesetucha-Birczyńska, Aleksandra

    1999-05-01

    Cinchonine (C 19H 22N 2O) is one of the Cinchona tree alkaloids. It consists of two moieties, a quinoline ring and quinuclidine linked by a hydroxymethylene bridge. Each one of these parts contains nitrogen atoms, which are proton acceptor and cause that cinchonine can be treated as a weak base. For the first time the protonation effect was evidenced in the RR spectra of cinchonine while interacting with DNA (A. Wesetucha-Birczyńska and K. Nakamoto, J. Raman Spectrosc. 27 (1996) 915). In the current study 2D correlation method was applied to analyze the FT-Raman spectra of cin aqueous solutions with varying pH, which was regarded as external perturbation in the 1300-1700 cm -1 range, which is quinuclidine and quinoline ring stretching vibration region. These monitored fluctuations transformed into 2D spectra allows to analyze these vibrations and differentiate them.

  16. A comparative study of Rayleigh-Taylor and Richtmyer-Meshkov instabilities in 2D and 3D in tantalum

    NASA Astrophysics Data System (ADS)

    Sternberger, Z.; Maddox, B. R.; Opachich, Y. P.; Wehrenberg, C. E.; Kraus, R. G.; Remington, B. A.; Randall, G. C.; Farrell, M.; Ravichandran, G.

    2017-01-01

    Driving a shock wave through the interface between two materials with different densities can result in the Richtmyer-Meshkov or Rayleigh-Taylor instability and initial perturbations at the interface will grow. If the shock wave is sufficiently strong, the instability will lead to plastic flow at the interface. Material strength will reduce the amount of plastic flow and suppress growth. While such instabilities have been investigated in 2D, no studies of this phenomena have been performed in 3D on materials with strength. Initial perturbations to seed the hydrodynamic instability were coined into tantalum recovery targets. Two types of perturbations were used, two dimensional (2D) perturbations (hill and valley) and three-dimensional (3D) perturbations (egg crate pattern). The targets were subjected to dynamic loading using the Janus laser at the Jupiter Laser Facility. Shock pressures ranged from 50 GPa up to 150 GPa and were calibrated using VISAR drive targets.

  17. Leonardo da Vinci's drapery studies: characterization of lead white pigments by µ-XRD and 2D scanning XRF

    NASA Astrophysics Data System (ADS)

    Gonzalez, Victor; Calligaro, Thomas; Pichon, Laurent; Wallez, Gilles; Mottin, Bruno

    2015-11-01

    This work focuses on the composition and microstructure of the lead white pigment employed in a set of paintworks, using a combination of µ-XRD and 2D scanning XRF, directly applied on five drapery studies attributed to Leonardo da Vinci (1452-1519) and conserved in the Département des Arts Graphiques, Musée du Louvre and in the Musée des Beaux- Arts de Rennes. Trace elements present in the composition as well as in the lead white highlights were imaged by 2D scanning XRF. Mineral phases were determined in a fully noninvasive way using a special µ-XRD diffractometer. Phase proportions were estimated by Rietveld refinement. The analytical results obtained will contribute to differentiate lead white qualities and to highlight the artist's technique.

  18. Colloidal 2D-0D Lateral Nanoheterostructures: A Case Study of Site-Selective Growth of CdS Nanodots onto Bi₂Se₃ Nanosheets.

    PubMed

    Xu, Biao; Li, Haoyi; Yang, Hao; Xiang, Wentian; Zhou, Gang; Wu, Yue; Wang, Xun

    2015-06-10

    Two-dimensional (2D) nanoheterostructure (2D NHS) with nanoparticles grown on 2D nanomaterial substrates could potentially enable many novel functionalities. Controlled site-selective growth of nanoparticles on either the lateral or the basal directions of 2D nanomaterial substrates is desirable but extremely challenging. Herein, we demonstrate the rational control of lateral- and basal-selective attachment of CdS nanoparticles onto 2D Bi2Se3 nanosheets through solution phase reactions. The combination of experimental and theoretical efforts elucidate that site-relevant interfacial bonding and kinetic control of molecular precursors play vital roles for site selectivity. Furthermore, the electronic structures revealed from density functional theory calculations explain the superior performance of the lateral 2D NHSs compared to their basal counterpart in prototype photoelectrochemical cells. The present study will inspire the construction of other site-selective 2D NHSs with well-defined structure and unique properties.

  19. A study of four radiochromic films currently used for (2D) radiation dosimetry

    NASA Astrophysics Data System (ADS)

    Yao, Tiantian; Luthjens, Leonard H.; Gasparini, Alessia; Warman, John M.

    2017-04-01

    We have measured the dose, D, and dose rate, D', dependences of the radiation-induced change in optical absorption of four radiochromic films currently used for (2D) dosimetry: GafChromic® types EBT3, MD-V3, HD-V2 and HD-810. We have irradiated the films using two 60Co γ-ray sources with dose rates of 2 and 30 Gy/min and a 200 kVp X-ray source with dose rates from 0.2 to 1.0 Gy/min. The 48-bit RGB image files of the films, obtained using an Epson V700 flatbed scanner, were color-channel separated and the red, green and blue pixel levels, P(D), were determined using ImageJ software. The relationship P(D)/P(0)=[1+hD/m]/[1+D/m] is found to provide a good description of the dose dependence for all four films at all dose rates. The parameter h is the "plateau level" of P(D)/P(0) approached at high doses, i.e. P(∞)/P(0). The parameter m is the "median-dose" for which P(D)/P(0)(1+h)/2 which is the half point in the dynamic range of the particular film. The best-fit values of m over the dose rate range from 0.2 to 25 Gy/min using the red pixels were 1.42±0.03, 11.1±0.4, 63.6±0.9 and 60.6±1.6 Gy for EBT3, MD-V3, HD-V2 and HD-810 respectively. Using the green pixels the median dose is 1.8 times larger for the first 3 films and 2.5 times larger for HD-810. The blue pixels are considered unsuitable for dosimetry because of the large value of h (>0.4) and the resulting small dynamic range.

  20. Gyrotactic trapping: A numerical study

    NASA Astrophysics Data System (ADS)

    Ghorai, S.

    2016-04-01

    Gyrotactic trapping is a mechanism proposed by Durham et al. ["Disruption of vertical motility by shear triggers formation of thin Phytoplankton layers," Science 323, 1067-1070 (2009)] to explain the formation of thin phytoplankton layer just below the ocean surface. This mechanism is examined numerically using a rational model based on the generalized Taylor dispersion theory. The crucial role of sedimentation speed in the thin layer formation is demonstrated. The effects of variation in different parameters on the thin layer formation are also investigated.

  1. The use of FLO2D numerical code in lahar hazard evaluation at Popocatépetl volcano: a 2001-lahar scenario

    NASA Astrophysics Data System (ADS)

    Caballero, L.; Capra, L.

    2014-07-01

    Lahar modelling represents an excellent tool to design hazard maps. It allows the definition of potential inundation zones for different lahar magnitude scenarios and sediment concentrations. Here we present the results obtained for the 2001 syneruptive lahar at Popocatépetl volcano, based on simulations performed with FLO2D software. An accurate delineation of this event is needed since it is one of the possible scenarios considered during a volcanic crisis. One of the main issues for lahar simulation using FLO2D is the calibration of the input hydrograph and rheologic flow properties. Here we verified that geophone data can be properly calibrated by means of peak discharge calculations obtained by superelevation method. Simulation results clearly show the influence of concentration and rheologic properties on lahar depth and distribution. Modifying rheologic properties during lahar simulation strongly affect lahar distribution. More viscous lahars have a more restricted aerial distribution, thicker depths, and resulting velocities are noticeable smaller. FLO2D proved to be a very successful tool to delimitate lahar inundation zones as well as to generate different lahar scenarios not only related to lahar volume or magnitude but also to take into account different sediment concentrations and rheologies widely documented to influence lahar prone areas.

  2. CYP2D6 polymorphisms may predict occurrence of adverse effects to tamoxifen: a preliminary retrospective study

    PubMed Central

    Wickramage, Ishani; Tennekoon, Kamani Hemamala; Ariyaratne, Merenchi Arachchige Yasantha; Hewage, Asanka Sudeshini; Sundralingam, Tharmini

    2017-01-01

    Introduction and aims Tamoxifen is an adjuvant drug effective in treating hormone receptor – positive breast cancer. However, 30%–50% of patients relapse and many develop adverse effects, such as hot flashes and fatty liver. Allelic variations altering the activity of cytochrome P450-2D6 enzyme affect response to tamoxifen by modulating metabolism of tamoxifen into its pharmacologically active metabolite endoxifen. Although association between CYP2D6 polymorphisms and recurrence of breast cancer in patients on tamoxifen had been reported, little evidence exists on association between these polymorphisms and adverse effects to tamoxifen. This study explored the association between CYP2D6 polymorphisms and tamoxifen effects, hitherto not studied in Sri Lanka. Methods A retrospective preliminary study was carried out on 24 breast cancer patients on tamoxifen for minimally 3 months attending National Cancer Institute, Maharagama, Sri Lanka. They were not on CYP2D6-inhibiting drugs, chemotherapy or other endocrine therapy, and had no conditions that could occur as adverse effects to tamoxifen before starting the therapy. Their blood samples were collected, DNA was extracted and genotyped using SNaPshot Multiplex sequencing based single-nucleotide polymorphism (SNP) assay. Results SNP/allele frequencies detected: 1846G>A (confirmatory of *4 null allele)=8.3%; 2549delA (confirmatory of *3 null allele)=50%; 100C>T (suggestive of *10 reduced functional allele, in addition to other alleles)=0%; combination of 2988G>A, −1584C and 2850C>T (strongly suggestive of *41 or other reduced functional allele)=4.8%. Occurrence of heterozygous 2988G>A SNP with −1584C and 2850C>T was significantly higher among those with ultrasound-diagnosed fatty liver following the commencement of tamoxifen therapy (P=0.029). Adverse effects occurred at a significantly higher frequency among postmenopausal women (P=0.041). Three patients who developed recurrence of breast cancer had no

  3. Digital 2D-photogrammetry and direct anthropometry--a comparing study on test accomplishment and measurement data.

    PubMed

    Franke-Gromberg, Christine; Schüler, Grit; Hermanussen, Michael; Scheffler, Christiane

    2010-01-01

    The aim of this methodological anthropometric study was to compare direct anthropometry and digital two-dimensional photogrammetry in 18 male and 27 female subjects, aged 24 to 65 years, from Potsdam, Germany. In view of the rising interest in reliable biometric kephalofacial data, we focussed on head and face measurements. Out of 34 classic facial anatomical landmarks, 27 landmarks were investigated both by direct anthropometry and 2D-photogrammetry; 7 landmarks could not be localized by 2D-photogrammetry. Twenty-six kephalofacial distances were analysed both by direct anthropometry and digital 2D-photogrammetry. Kephalofacial distances are on average 7.6% shorter when obtained by direct anthropometry. The difference between the two techniques is particularly evident in total head height (vertex-gnathion) due to the fact that vertex is usually covered by hair and escapes from photogrammetry. Also the distances photographic sellion-gnathion (1.3 cm, i. e. 11.6%) and nasal-gnathion (1.2 cm, i. e. 9.4%) differ by more than one centimetre. Differences below 0.5 cm between the two techniques were found when measuring mucosa-lip-height (2.2%), gonia (3.0%), glabella-stomion (3.9%), and nose height (glabella-subnasal) (4.0%). Only the estimates of forehead width were significantly narrower when obtained by 2D-photogrammetry (-1.4 cm, -13.1%). The methodological differences increased with increasing magnitude of the kephalometric distance. Apart from these limitations, both techniques are similarly valid and may replace each other.

  4. Study of the equilibrium vacancy ensemble in aluminum using 1D- and 2D-angular correlation of annihilation radiation

    SciTech Connect

    Fluss, M.J.; Berko, S.; Chakraborty, B.; Hoffmann, K.R.; Lippel, P.; Siegel, R.W.

    1985-03-12

    One- and two-dimensional angular correlation of positron-electron annihilation radiation (1D and 2D-ACAR) data have been obtained between 293 and 903 K for single crystals of aluminum. The peak counting rates vs temperature, which were measured using the 1D-ACAR technique, provide a model independent value for the temperature dependence of the positron trapping probability. Using these results it is possible to strip out the Bloch state contribution from the observed 2D-ACAR surfaces and then compare the resulting defect ACAR surfaces to calculated 2D-ACAR surfaces for positrons annihilating from the Bloch, monovacancy, and divacancy-trapped states. The result of this comparison is that the presence of an increasing equilibrium divacancy population is consistent with the observed temperature dependence of ACAR data at high temperature in Al and that the present results when compared to earlier studies on Al indicate that the ratio of the trapping rates at divacancies and monovacancies is of order two.

  5. 2D numerical modelling of gas temperature in a nanosecond pulsed longitudinal He-SrBr2 discharge excited in a high temperature gas-discharge tube for the high-power strontium laser

    NASA Astrophysics Data System (ADS)

    Chernogorova, T. P.; Temelkov, K. A.; Koleva, N. K.; Vuchkov, N. K.

    2016-05-01

    An active volume scaling in bore and length of a Sr atom laser excited in a nanosecond pulse longitudinal He-SrBr2 discharge is carried out. Considering axial symmetry and uniform power input, a 2D model (r, z) is developed by numerical methods for determination of gas temperature in a new large-volume high-temperature discharge tube with additional incompact ZrO2 insulation in the discharge free zone, in order to find out the optimal thermal mode for achievement of maximal output laser parameters. A 2D model (r, z) of gas temperature is developed by numerical methods for axial symmetry and uniform power input. The model determines gas temperature of nanosecond pulsed longitudinal discharge in helium with small additives of strontium and bromine.

  6. Comparative Variable Temperature Studies of Polyamide II with a Benchtop Fourier Transform and a Miniature Handheld Near-Infrared Spectrometer Using 2D-COS and PCMW-2D Analysis.

    PubMed

    Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W

    2016-07-01

    The main objective of this communication is to compare the performance of a miniaturized handheld near-infrared (NIR) spectrometer with a benchtop Fourier transform near-infrared (FT-NIR) spectrometer. Generally, NIR spectroscopy is an extremely powerful analytical tool to study hydrogen-bonding changes of amide functionalities in solid and liquid materials and therefore variable temperature NIR measurements of polyamide II (PAII) have been selected as a case study. The information content of the measurement data has been further enhanced by exploiting the potential of two-dimensional correlation spectroscopy (2D-COS) and the perturbation correlation moving window two-dimensional (PCMW2D) evaluation technique. The data provide valuable insights not only into the changes of the hydrogen-bonding structure and the recrystallization of the hydrocarbon segments of the investigated PAII but also in their sequential order. Furthermore, it has been demonstrated that the 2D-COS and PCMW2D results derived from the spectra measured with the miniaturized NIR instrument are equivalent to the information extracted from the data obtained with the high-performance FT-NIR instrument.

  7. Digit ratio (2D:4D), sex differences, allometry, and finger length of 12-30-year olds: evidence from the British Broadcasting Corporation (BBC) Internet study.

    PubMed

    Manning, John T

    2010-01-01

    Many studies have reported digit ratio (2D:4D) to be sexually dimorphic, (males lower 2D:4D than females). However, Kratochvíl and Flegr ([2009]: Biol Lett 5:643-646) have suggested that 2D regressed on 4D has an allometric regression line with nonzero Y-intercept that is shared by males and females. Thus, 2D is shorter than expected when 4D is long, and males have lower 2D:4D than females because they have longer fingers. In this study, it is shown that this suggestion may be incorrect because sex differences in slope were not considered. Participants were recruited in an Internet study and had an age range of 12-30 years. The expected sex difference in 2D:4D was found, and the regression of 2D on 4D showed a significant sex difference in slope (males lower than females). A comparison of 10 age groups (12 years, 13 years..., 21-30 years) showed that sexual dimorphism for fingers was age dependent, varying from monomorphic to very dimorphic. Changes in sexual dimorphism of 2D:4D were much less marked, but there was a significant reduction in mean 2D:4D with age. The tendency for slopes of 2D regressed on 4D to be lower in males compared with females was significant in eight age groups. Sex difference in 2D:4D varied across the age groups and was positively related to the magnitude of the difference in female and male slopes. In contrast to the report of Kratochvíl and Flegr, it was found that the regression of 2D on 4D showed sex differences in slope, and such differences gave rise to the sexual dimorphism in 2D:4D.

  8. Numerical study of Q-ball formation in gravity mediation

    SciTech Connect

    Hiramatsu, Takashi; Kawasaki, Masahiro; Takahashi, Fuminobu E-mail: kawasaki@icrr.u-tokyo.ac.jp

    2010-06-01

    We study Q-ball formation in the expanding universe on 1D, 2D and 3D lattice simulations. We obtain detailed Q-ball charge distributions, and find that the distribution is peaked at Q{sup 3D}{sub peak} ≅ 1.9 × 10{sup −2}(|Φ{sub in}|/m){sup 2}, which is greater than the existing result by about 60%. Based on the numerical simulations, we discuss how the Q-ball formation proceeds. Also we make a comment on possible deviation of the charge distributions from what was conjectured in the past.

  9. Ultrafast slaving dynamics at the protein-water interface studied with 2D-IR spectroscopy

    NASA Astrophysics Data System (ADS)

    King, J. T.; Kubarych, K. J.

    2013-03-01

    The dynamics of hen egg white lysozyme in D2O/glycerol mixtures is studied using two-dimensional infrared spectroscopy. The hydration dynamics and the protein dynamics are studied simultaneously through vibrational probes attached to the protein surface.

  10. 2D and 3D Terahertz Imaging and X-Rays CT for Sigillography Study

    NASA Astrophysics Data System (ADS)

    Fabre, M.; Durand, R.; Bassel, L.; Recur, B.; Balacey, H.; Bou Sleiman, J.; Perraud, J.-B.; Mounaix, P.

    2017-04-01

    Seals are part of our cultural heritage but the study of these objects is limited because of their fragility. Terahertz and X-Ray imaging are used to analyze a collection of wax seals from the fourteenth to eighteenth centuries. In this work, both techniques are compared in order to discuss their advantages and limits and their complementarity for conservation state study of the samples. Thanks to 3D analysis and reconstructions, defects and fractures are detected with an estimation of their depth position. The path from the parchment tongue inside the seals is also detected.

  11. 2D and 3D Terahertz Imaging and X-Rays CT for Sigillography Study

    NASA Astrophysics Data System (ADS)

    Fabre, M.; Durand, R.; Bassel, L.; Recur, B.; Balacey, H.; Bou Sleiman, J.; Perraud, J.-B.; Mounaix, P.

    2017-01-01

    Seals are part of our cultural heritage but the study of these objects is limited because of their fragility. Terahertz and X-Ray imaging are used to analyze a collection of wax seals from the fourteenth to eighteenth centuries. In this work, both techniques are compared in order to discuss their advantages and limits and their complementarity for conservation state study of the samples. Thanks to 3D analysis and reconstructions, defects and fractures are detected with an estimation of their depth position. The path from the parchment tongue inside the seals is also detected.

  12. 2D QSAR Study for Gemfibrozil Glucuronide as the Mechanism-based Inhibitor of CYP2C8

    PubMed Central

    Taxak, N.; Bharatam, P. V.

    2013-01-01

    Mechanism-based inhibition of cytochrome P450 involves the bioactivation of the drug to a reactive metabolite, which leads to cytochrome inhibition via various mechanisms. This is generally seen in the Phase I of drug metabolism. However, gemfibrozil (hypolipidemic drug) leads to mechanism-based inhibition after generating glucuronide conjugate (gemfibrozil acyl-β-glucuronide) in the Phase II metabolism reaction. The mechanism involves the covalent binding of the benzyl radical (generated from the oxidation of aromatic methyl group in conjugate) to the heme of CYP2C8. This article deals with the development of a 2D QSAR model based on the inhibitory potential of gemfibrozil, its analogues and corresponding glucuronide conjugates in inhibiting the CYP2C8-catalysed amodiaquine N-deethylation. The 2D QSAR model was developed using multiple linear regression analysis in Accelrys Discovery Studio 2.5 and helps in identifying the descriptors, which are actually contributing to the inhibitory potency of the molecules studied. The built model was further validated using leave one out method. The best quantitative structure activity relationship model was selected having a correlation coefficient (r) of 0.814 and cross-validated correlation coefficient (q2) of 0.799. 2D QSAR revealed the importance of volume descriptor (Mor15v), shape descriptor (SP09) and 3D matrix-based descriptor (SpMax_RG) in defining the activity for this series of molecules. It was observed that volume and 3D matrix-based descriptors were crucial in imparting higher potency to gemfibrozil glucuronide conjugate, as compared with other molecules. The results obtained from the present study may be useful in predicting the inhibitory potential (IC50 for CYP2C8 inhibition) of the glucuronide conjugates of new molecules and compare with the standard gemfibrozil acyl-β-glucuronide (in terms of pIC50 values) in early stages of drug discovery and development. PMID:24591743

  13. Use of pharmacogenetics in bioequivalence studies to reduce sample size: an example with mirtazapine and CYP2D6.

    PubMed

    González-Vacarezza, N; Abad-Santos, F; Carcas-Sansuan, A; Dorado, P; Peñas-Lledó, E; Estévez-Carrizo, F; Llerena, A

    2013-10-01

    In bioequivalence studies, intra-individual variability (CV(w)) is critical in determining sample size. In particular, highly variable drugs may require enrollment of a greater number of subjects. We hypothesize that a strategy to reduce pharmacokinetic CV(w), and hence sample size and costs, would be to include subjects with decreased metabolic enzyme capacity for the drug under study. Therefore, two mirtazapine studies, two-way, two-period crossover design (n=68) were re-analysed to calculate the total CV(w) and the CV(w)s in three different CYP2D6 genotype groups (0, 1 and ≥ 2 active genes). The results showed that a 29.2 or 15.3% sample size reduction would have been possible if the recruitment had been of individuals carrying just 0 or 0 plus 1 CYP2D6 active genes, due to the lower CV(w). This suggests that there may be a role for pharmacogenetics in the design of bioequivalence studies to reduce sample size and costs, thus introducing a new paradigm for the biopharmaceutical evaluation of drug products.

  14. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6*15 and *35 Genotyping

    PubMed Central

    Riffel, Amanda K.; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C.; Leeder, J. Steven; Rosenblatt, Kevin P.; Gaedigk, Andrea

    2016-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6*15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6*15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6*35) which is also located in exon 1. Although alternative CYP2D6*15 and *35 assays resolved the issue, we discovered a novel CYP2D6*15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6*15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6*43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer and/or probe regions can impact

  15. CYP2D7 Sequence Variation Interferes with TaqMan CYP2D6 (*) 15 and (*) 35 Genotyping.

    PubMed

    Riffel, Amanda K; Dehghani, Mehdi; Hartshorne, Toinette; Floyd, Kristen C; Leeder, J Steven; Rosenblatt, Kevin P; Gaedigk, Andrea

    2015-01-01

    TaqMan™ genotyping assays are widely used to genotype CYP2D6, which encodes a major drug metabolizing enzyme. Assay design for CYP2D6 can be challenging owing to the presence of two pseudogenes, CYP2D7 and CYP2D8, structural and copy number variation and numerous single nucleotide polymorphisms (SNPs) some of which reflect the wild-type sequence of the CYP2D7 pseudogene. The aim of this study was to identify the mechanism causing false-positive CYP2D6 (*) 15 calls and remediate those by redesigning and validating alternative TaqMan genotype assays. Among 13,866 DNA samples genotyped by the CompanionDx® lab on the OpenArray platform, 70 samples were identified as heterozygotes for 137Tins, the key SNP of CYP2D6 (*) 15. However, only 15 samples were confirmed when tested with the Luminex xTAG CYP2D6 Kit and sequencing of CYP2D6-specific long range (XL)-PCR products. Genotype and gene resequencing of CYP2D6 and CYP2D7-specific XL-PCR products revealed a CC>GT dinucleotide SNP in exon 1 of CYP2D7 that reverts the sequence to CYP2D6 and allows a TaqMan assay PCR primer to bind. Because CYP2D7 also carries a Tins, a false-positive mutation signal is generated. This CYP2D7 SNP was also responsible for generating false-positive signals for rs769258 (CYP2D6 (*) 35) which is also located in exon 1. Although alternative CYP2D6 (*) 15 and (*) 35 assays resolved the issue, we discovered a novel CYP2D6 (*) 15 subvariant in one sample that carries additional SNPs preventing detection with the alternate assay. The frequency of CYP2D6 (*) 15 was 0.1% in this ethnically diverse U.S. population sample. In addition, we also discovered linkage between the CYP2D7 CC>GT dinucleotide SNP and the 77G>A (rs28371696) SNP of CYP2D6 (*) 43. The frequency of this tentatively functional allele was 0.2%. Taken together, these findings emphasize that regardless of how careful genotyping assays are designed and evaluated before being commercially marketed, rare or unknown SNPs underneath primer

  16. Comparing 2-D screen projections to 1-D goniometric measurements in scattering studies of surface roughness

    NASA Astrophysics Data System (ADS)

    Jones, Laurel R.; Jacques, Steven L.

    2009-02-01

    Video goniometry was used to study the angular dependence of scattering from tissues and test materials. Tissues and standard roughness samples (sandpaper) were placed vertically in front of a 543 nm He-Ne laser with the tissue surface normal at 45° from the incident beam. The scattered light patterns projected onto a screen that was photographed by a digital camera. The scatter pattern showed a specular peak centered at -45° which was described by a Henyey-Greenstein function. The pattern also presented a diffuse Lambertian pattern at 0° (normal to the tissue). The line between the peak specular and the peak Lambertian identified the scattering plane, despite any slight misalignment of the tissue. The analysis utilized a coordinate transform based on mathematics for mapping between a flat Mercator map and a spherical planetary surface. The system was used to study the surface roughness of muscle tissue samples (bovine striated muscle and chicken cardiac muscle).

  17. An experimental study of flow separation over a flat plate with 2D transverse grooves

    NASA Astrophysics Data System (ADS)

    Jones, Emily Michelle

    Nature has long been an inspiration for research in engineering. In particular, the biological surfaces of aquatic swimmers have been studied for their potential as drag reducing surfaces. The hydrodynamic benefit of riblets, or grooves embedded parallel to the flow, which appear on many aquatic biological surfaces, have been well documented and implemented in practical engineering applications. However the skin of dolphins is embedded with grooves that run perpendicular to the flow of water over their bodies. It is theorized that the transverse grooves present on dolphin skin trap vortices between them, creating a partial slip condition over the surface and inducing turbulence augmentation in the boundary layer, thus controlling boundary layer separation over the dolphin's skin. Similarly, sharks are covered with scales that are flexible at the base and capable of bristling, forming grooves running transverse to the flow. It is theorized that the scales bristle when encountering a reversing flow, thereby trapping vortices between the scales and, similarly, delaying boundary layer separation. In an attempt to test this hypothesis and study these affects, a spinning cylinder was used in a water tunnel to induce separation over a flat plate with 2 mm, rectangular transverse grooves and sinusoidal grooves of similar scaling. The results were compared to tripped, turbulent boundary layer separation occurring over a flat plate without grooves using time-resolved particle image velocimetry. The strength of the adverse pressure gradient was varied, and the observed delay in flow separation and other affects upon the boundary layer are discussed.

  18. Study of the electrical conductivity at finite temperature in 2D Si- MOSFETs

    SciTech Connect

    Limouny, L. Kaaouachi, A. El Tata, O.; Daoudi, E.; Errai, M.; Dlimi, S.; Idrissi, H. El; Zatni, A.

    2014-01-27

    We investigate the low temperature density dependent conductivity of two dimensional electron systems in zero magnetic field for sample Si-15 MOSFETs. The first purpose of this paper is to establish that the knee of the conductivity σ{sub 0} (σ{sub 0} is the T = 0.3 conductivity obtained by linear extrapolation of the curves of σ (T) for different values of electron density, n{sub s}) as a function of the carrier densities n{sub s} for T = 0.3 K, observed by Lai et al. and Limouny et al. in previous work for two different samples, is independent of temperature. The second aim is the determination of the critical density, n{sub c}, of the metal-insulator transition. Many methods are used in this investigation of n{sub c} which have been already used for other samples. The motivation behind this last study is the observation of many values of n{sub c} that have been obtained from different methods and that are slightly different. We will use in this study three methods with the intention to infer which one is more appropriate to obtain n{sub c}.

  19. 2-D experimental study of DC discharge parameters in the cylindrical magnetron.

    NASA Astrophysics Data System (ADS)

    Behnke, J. F.; Holik, M.; Kudrna, P.; Bilyk, O.; Rusz, J.; Tichý, M.

    2002-10-01

    In this paper we present a study of the variations of plasma parameters in both the axial as well as in radial directions in the novel construction of cylindrical magnetron. Six evenly distributed coils create the axial magnetic field with the homogeneity 0.2 % over the whole discharge vessel length 300 mm (vessel diameter 58 mm). The system is equipped with three cylindrical Langmuir probes movable in radial direction, placed in ports located in between each couple of coils in distance 60 mm from each other. In order to measure the axial variations of the discharge current, one half of the cathode length is segmented into 14 segments, i.e. one segment has a length of about 10 mm. We present measurements of the axial distribution of the discharge current in argon at different pressures and magnetic fields. We demonstrate measurements of the radial variations of the electron density measured simultaneously by probes at three different axial positions.

  20. Hydrogen self-dynamics in liquid H2-D2 mixtures studied through inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Colognesi, Daniele; Bafile, Ubaldo; Celli, Milva; Neumann, Martin; Orecchini, Andrea

    2015-07-01

    We have measured the dynamic structure factor of liquid para-hydrogen mixed with normal deuterium (T =20 K ) at two different concentration levels using incoherent inelastic neutron scattering. This choice has been made since the presence of D2 modifies the self-dynamics of H2 in a highly nontrivial way, acting both on its pseudophononic and its diffusive parts in a tunable way. After an accurate data reduction, recorded neutron spectra were studied through the modified Young and Koppel model and the H2 center-of-mass self-dynamics structure factor was finally extracted for the two mixtures. Some physical quantities (i.e., self-diffusion coefficient and mean kinetic energy) were determined and compared with accurate quantum calculations, which, in addition, also provided estimates of the velocity autocorrelation function for the H2 centers of mass. These estimates, in conjunction with the Gaussian approximation, were used to simulate the H2 center-of-mass self-dynamics structure factor in the same range as the experimental one. The agreement between measured and calculated spectra was globally good, but some discrepancies proved the unquestionable breakdown of the Gaussian approximation in these semiquantum systems at a level comparable to that already observed in pure liquid para-hydrogen.

  1. Cannibalism Affects Core Metabolic Processes in Helicoverpa armigera Larvae—A 2D NMR Metabolomics Study

    PubMed Central

    Vergara, Fredd; Shino, Amiu; Kikuchi, Jun

    2016-01-01

    Cannibalism is known in many insect species, yet its impact on insect metabolism has not been investigated in detail. This study assessed the effects of cannibalism on the metabolism of fourth-instar larvae of the non-predatory insect Helicoverpa armigera (Lepidotera: Noctuidea). Two groups of larvae were analyzed: one group fed with fourth-instar larvae of H. armigera (cannibal), the other group fed with an artificial plant diet. Water-soluble small organic compounds present in the larvae were analyzed using two-dimensional nuclear magnetic resonance (NMR) and principal component analysis (PCA). Cannibalism negatively affected larval growth. PCA of NMR spectra showed that the metabolic profiles of cannibal and herbivore larvae were statistically different with monomeric sugars, fatty acid- and amino acid-related metabolites as the most variable compounds. Quantitation of 1H-13C HSQC (Heteronuclear Single Quantum Coherence) signals revealed that the concentrations of glucose, glucono-1,5-lactone, glycerol phosphate, glutamine, glycine, leucine, isoleucine, lysine, ornithine, proline, threonine and valine were higher in the herbivore larvae. PMID:27598144

  2. Experimental study on nonmonotonicity of Capillary Desaturation Curves in a 2-D pore network

    NASA Astrophysics Data System (ADS)

    Rodríguez de Castro, Antonio; Shokri, Nima; Karadimitriou, Nikolaos; Oostrom, Mart; Joekar-Niasar, Vahid

    2015-10-01

    Immiscible displacement in porous media is important in many applications such as soil remediation and enhanced oil recovery. When gravitational forces are negligible, two-phase immiscible displacement at the pore level is controlled by capillary and viscous forces whose relative importance is quantified through the dimensionless capillary number Ca and the viscosity ratio M between liquid phases. Depending on the values of Ca and M, capillary fingering, viscous fingering, or stable displacement may be observed resulting in a variety of patterns affecting the phase entrapment. The Capillary Desaturation Curve (CDC), which represents the relationship between the residual oil saturation and Ca, is an important relation to describe the phase entrapment at a given Ca. In the present study, we investigated the CDC as influenced by the viscosity ratio. To do so, we have conducted a comprehensive series of experiments using a high-resolution microscope and state-of-art micromodels to investigate the dynamics and patterns of phase entrapment at different Ca and M. By postprocessing of the experimental high-resolution images, we calculated the CDC and quantified the effects of the Ca and M on the phase entrapment and number of blobs trapped in the micromodel and their size distributions during immiscible two-phase flow. Our results show that CDCs are not necessarily monotonic for all M, and the physical mechanisms causing this nonmonotonic behavior are discussed.

  3. Experimental study on nonmonotonicity of capillary desaturation curves in a 2-D pore-network

    SciTech Connect

    Rodriquez de Castro, Antonio; Shokri, Nima; Karadimitriou, Nikolaos; Oostrom, Martinus; Joekar-Niasar, Vahid

    2015-10-28

    Immiscible displacement in a porous medium is important in many applications such as soil remediation and enhanced oil recovery. When gravitational forces are negligible, two-phase immiscible displacement at the pore level is controlled by capillary and viscous forces whose relative importance is quantified through the dimensionless capillary number Ca and the viscosity ratio M between liquid phases. Depending on the values of Ca and M, capillary fingering, viscous fingering, or stable displacement may be observed resulting in a variety of patterns affecting the phase entrapment. The Capillary Desaturation Curve (CDC), which represents the relationship between the residual oils saturation and Ca, is an important relation to describe the phase entrapment at a given Ca. In the present study, we investigate the CDC as influenced by the viscosity ratio. A comprehensive series of experiments using a high-resolution microscope and state-of-the-art micromodels were conducted. The CDCs were calculated and the effects of Ca and M on phase entrapments were quantified. The results show that CDCs are not necessarily monotonic for all M.

  4. Study of liquid water by computer simulations. I. Static properties of a 2D model

    NASA Astrophysics Data System (ADS)

    Okazaki, Keiji; Nosé, Shuichi; Kataoka, Yosuke; Yamamoto, Tsunenobu

    1981-12-01

    A computer-simulation study of a water-like system is carried out by making use of a two-dimensional version of the Ben-Naim and Stillinger potential. The pair potential is set up such that at 0 K it yields a square net structure at low pressures and an interpretation of two square nets at high pressures. The liquid state is surveyed over a wide range of temperature and pressure. Various kinds of molecular distribution functions are derived to see how the hydrogen-bond network structure depends on temperature and density. The pressure and thermal equations of state are ''experimentally'' determined by a least square fitting to the pressures and energies calculated for about 200 different state points. The well-known anomalous behavior of liquid water is reproduced at least in a semiquantitative way. The singular properties of supercooled water also are reproduced and their origin is ascribed to the thermodynamical instability. New anomalies are predicted at high temperatures and pressures.

  5. Application of a 2D air flow model to soil vapor extraction and bioventing case studies

    SciTech Connect

    Mohr, D.H.; Merz, P.H.

    1995-05-01

    Soil vapor extraction (SVE) is frequently the technology of choice to clean up hydrocarbon contamination in unsaturated soil. A two-dimensional air flow model provides a practical tool to evaluate pilot test data and estimate remediation rates for soil vapor extraction systems. The model predictions of soil vacuum versus distance are statistically compared to pilot test data for 65 SVE wells at 44 sites. For 17 of 21 sites where there was asphalt paving, the best agreement was obtained for boundary conditions with no barrier to air flow at the surface. The model predictions of air flow rates and stream lines around the well allow an estimate of the gasoline removal rates by both evaporation and bioremediation. The model can be used to quickly estimate the effective radius of influence, defined here as the maximum distance from the well where there is enough air flow to remove the contaminant present within the allowable time. The effective radius of influence is smaller than a radius of influence defined by soil vacuum only. For a case study, in situ bioremediation rates were estimated using the air flow model and compared to independent estimates based on changes in soil temperature. These estimate bioremediation rates for heavy fuel oil ranged from 2.5 to 11 mg oil degraded per kg soil per day, in agreement with values in the literature.

  6. Electrophysiological and Structural Remodeling in Heart Failure Modulate Arrhythmogenesis. 2D Simulation Study

    PubMed Central

    Gomez, Juan F.; Cardona, Karen; Martinez, Laura; Saiz, Javier; Trenor, Beatriz

    2014-01-01

    Background Heart failure is operationally defined as the inability of the heart to maintain blood flow to meet the needs of the body and it is the final common pathway of various cardiac pathologies. Electrophysiological remodeling, intercellular uncoupling and a pro-fibrotic response have been identified as major arrhythmogenic factors in heart failure. Objective In this study we investigate vulnerability to reentry under heart failure conditions by incorporating established electrophysiological and anatomical remodeling using computer simulations. Methods The electrical activity of human transmural ventricular tissue (5 cm×5 cm) was simulated using the human ventricular action potential model Grandi et al. under control and heart failure conditions. The MacCannell et al. model was used to model fibroblast electrical activity, and their electrotonic interactions with myocytes. Selected degrees of diffuse fibrosis and variations in intercellular coupling were considered and the vulnerable window (VW) for reentry was evaluated following cross-field stimulation. Results No reentry was observed in normal conditions or in the presence of HF ionic remodeling. However, defined amount of fibrosis and/or cellular uncoupling were sufficient to elicit reentrant activity. Under conditions where reentry was generated, HF electrophysiological remodeling did not alter the width of the VW. However, intermediate fibrosis and cellular uncoupling significantly widened the VW. In addition, biphasic behavior was observed, as very high fibrotic content or very low tissue conductivity hampered the development of reentry. Detailed phase analysis of reentry dynamics revealed an increase of phase singularities with progressive fibrotic components. Conclusion Structural remodeling is a key factor in the genesis of vulnerability to reentry. A range of intermediate levels of fibrosis and intercellular uncoupling can combine to favor reentrant activity. PMID:25054335

  7. Experimental and computational studies on complex spiral waves in 2-D cardiac substrates

    NASA Astrophysics Data System (ADS)

    Bursac, Nenad

    2005-03-01

    A variety of chemical and biological nonlinear excitable media including heart tissue can support stable, self-organized waves of activity in a form of rotating single-arm spirals. In the heart tissue, stable single-arm spirals can underlie highly periodic activity such as monomorphic ventricular tachycardia (VT), while unstable spirals that continuously form and break up are shown to underlie aperiodic and lethal heart activity, namely fibrillation. Although fast pacing from a point in the heart is commonly used to terminate VT, it can occasionally yield a transient or stable acceleration of tachicardia rate and/or fibrillation. In this study we tested the effect of rapid point pacing on sustained spiral waves in the uniformly anisotropic cultures of cardiac myocytes. In 15/79 cultures, rapid pacing induced a stable formation of multiple bound spiral waves (a complex spiral) and acceleration of overall excitation rate in the tissue, as assessed by pseudo ECG (pECG). The level of rate acceleration correlated with the number of rotating waves. Further rapid point pacing decelerated, terminated, or further accelerated the complex spiral activity via a change in the number of coexisting rotating waves. The dynamic restitution analysis revealed no alternans in action potential duration in any of the cultures. Stable formation of complex spirals was accomplished only in the cultures that showed relatively broad and steep impulse wavelength and conduction velocity restitutions. A necessary condition for rate acceleration in a medium with monotonic restitution is that the rate of rotation of a single spiral wave is significantly lower than maximum sustainable rate of excitation in the medium. Preliminary data in a homogeneous medium using 3-variable Fenton-Karma (FK) based model of cardiac tissue suggest that decrease of fast inward current (excitability) can shift the spiral rate away from the break point on the restitution curve, enabling a necessary condition for rate

  8. Numerical study of polyampholyte configuration

    SciTech Connect

    Bratko, D.; Chakraborty, A.K.

    1996-01-25

    Monte Carlo simulation and variational mean field calculations are used to study the structure of isolated polyampholyte chains at conditions roughly corresponding to dilute aqueous solutions. The simulations are performed by modeling the polymer as a necklace of charged hard spheres connected by rigid bonds with free rotations. A random distribution of cationic and anionic groups on the chain is assumed and average properties for samples with restricted or fluctuating net charge on individual chains are computed. The chains swell with increasing net charge while they are contracted when a balance of positive and negative charges is attained. The variational mean field theory successfully describes the swelling at high net charge while it underestimates the attractive effects characteristic of neutral or nearly neutral chains. This difference is interpreted as a result of spatial correlations among ionized polyampholyte beads in compact coils. The effects studied by determining the structure of ionic atmospheres surrounding individual charges in the coil in analogy with the known behavior of simple ionic solutions. The mean field model neglects this effect but still captures the essential features of the temperature dependence of the average coil for both the ensemble with enforced chain neutrality and the unrestricted ensemble with fluctuations of charge on individual chains. 77 refs., 7 figs., 1 tab.

  9. Towards the Identification of the Keeper Erosion Cause(s): Numerical Simulations of the Plasma and Neutral Gas Using the Global Cathode Model OrCa2D-II

    NASA Technical Reports Server (NTRS)

    Mikellides, Ioannis G.; Katz, Ira; Goebel, Dan M.; Jameson, Kristina K.

    2006-01-01

    Numerical simulations with the time-dependent Orificed Cathode (OrCa2D-II) computer code show that classical enhancements of the plasma resistivity can not account for the elevated electron temperatures and steep plasma potential gradients measured in the plume of a 25-27.5 A discharge hollow cathode. The cathode, which employs a 0.11-in diameter orifice, was operated at 5.5 sccm without an applied magnetic field using two different anode geometries. It is found that anomalous resistivity based on electron-driven instabilities improves the comparison between theory and experiment. It is also estimated that other effects such as the Hall-effect from the self-induced magnetic field, not presently included in OrCa2D-II, may contribute to the constriction of the current density streamlines thus explaining the higher plasma densities observed along the centerline.

  10. Numerical modelling of fault reactivation in carbonate rocks under fluid depletion conditions - 2D generic models with a small isolated fault

    NASA Astrophysics Data System (ADS)

    Zhang, Yanhua; Clennell, Michael B.; Delle Piane, Claudio; Ahmed, Shakil; Sarout, Joel

    2016-12-01

    This generic 2D elastic-plastic modelling investigated the reactivation of a small isolated and critically-stressed fault in carbonate rocks at a reservoir depth level for fluid depletion and normal-faulting stress conditions. The model properties and boundary conditions are based on field and laboratory experimental data from a carbonate reservoir. The results show that a pore pressure perturbation of -25 MPa by depletion can lead to the reactivation of the fault and parts of the surrounding damage zones, producing normal-faulting downthrows and strain localization. The mechanism triggering fault reactivation in a carbonate field is the increase of shear stresses with pore-pressure reduction, due to the decrease of the absolute horizontal stress, which leads to an expanded Mohr's circle and mechanical failure, consistent with the predictions of previous poroelastic models. Two scenarios for fault and damage-zone permeability development are explored: (1) large permeability enhancement of a sealing fault upon reactivation, and (2) fault and damage zone permeability development governed by effective mean stress. In the first scenario, the fault becomes highly permeable to across- and along-fault fluid transport, removing local pore pressure highs/lows arising from the presence of the initially sealing fault. In the second scenario, reactivation induces small permeability enhancement in the fault and parts of damage zones, followed by small post-reactivation permeability reduction. Such permeability changes do not appear to change the original flow capacity of the fault or modify the fluid flow velocity fields dramatically.

  11. Theoretical study on dynamic acoustic modulation of free carriers, excitons, and trions in 2D MoS2 flake

    NASA Astrophysics Data System (ADS)

    Huang, Tongyun; Han, Peng; Wang, Xinke; Ye, Jiasheng; Sun, Wenfeng; Feng, Shengfei; Zhang, Yan

    2017-03-01

    We present a self-consistent model calculation to study the influence of a radio-frequency surface acoustic wave (SAW) on the dynamic processes of photo-generated free carriers, excitons and trions in a 2D MoS2 flake with an odd number of layers. We found that the concentrations of excitons and trions decreased, while the lifetime of the free carriers increased when an external SAW field was applied. We attribute this phenomenon to the spatial separation of the electrons and holes, which are confined by a SAW-induced periodic type-II band-edge. We further studied the effect of the modulations on the spatiotemporal distributions of free carriers and excited quasiparticles by varying the amplitude and wavelength of the SAW field. We finally calculated the photoluminescent properties of the MoS2 flake under modulation of the SAW field and compared our results with those of recent experiments.

  12. Numerical Study of Orbital Trajectories about Phobos

    DTIC Science & Technology

    1988-12-01

    COF NUMERICAL STUDY OF ORBITAL TRAJECTORIES ABOUT PHOBOS THESIS Robert B. Teets Captain, USAF AFIT/GS0/AA/8 8D- 16 ..................D TIC SELECTEh...ful em t%... . 𔄂 9 ... 3 ...29 ...058_... AFIT/GSO/AA/88D-16 0 NUMERICAL STUDY OF ORBITAL TRAJECTORIES ABOUT PHOBOS THESIS Robert B. Teets Captain...ORBITAL TRAJECTORIES ABOUT PHOBOS THESIS Presented to the Faculty of the School of Engineering of the Air Force Institute of Technology Air University In

  13. A Simple Strategy to Mitigate the Aliasing Effect in X-band Marine Radar Data: Numerical Results for a 2D Case

    PubMed Central

    Serafino, Francesco; Lugni, Claudio; Nieto Borge, Josè Carlos; Soldovieri, Francesco

    2011-01-01

    For moderate and high speed values of the sea surface current, an aliasing phenomenon, due to an under-sampling in the time-domain, can strongly affect the reconstruction of the sea surface elevation derived from X-band radar images. Here, we propose a de-aliasing strategy that exploits the physical information provided by the dispersion law for gravity waves. In particular, we utilize simplifying hypotheses and numerical tests with synthetic data are presented to demonstrate the effectiveness of the presented method. PMID:22346616

  14. 2D kinematical study in local luminous compact blue galaxies. Starburst origin in UCM2325+2318

    NASA Astrophysics Data System (ADS)

    Castillo-Morales, A.; Pérez-Gallego, J.; Gallego, J.; Guzmán, R.; Castander, F.; Garland, C.; Gruel, N.; Pisano, D. J.; Muñoz-Mateos, J. C.; Ocaña, F.; Zamorano, J.

    2013-05-01

    Luminous Compact Blue Galaxies (LCBGs) are small, but vigorously star forming galaxies. Their presence at different redshifts denotes their cosmological relevance and implies that local starburst galaxies, when properly selected, are unique laboratories for studying the complex ecosystem of the star formation process over time. We have selected a representative sample of 22 LCBGs from the SDSS and UCM databases which, although small, provides an excellent reference for comparison with current and future surveys of similar starbursts at high-z. We are carrying out a 2D optical spectroscopic study of this LCBG sample, including spatially resolved maps of kinematics, extinction, SFR and metallicity. This will help us to answer questions regarding the nature of these objects. In this poster we show our results on the kinematical study (Pérez-Gallego et al. 2011) which allows us to classify these galaxies into three different classes: rotating disk (RD) 48%, perturbed rotation (PR) 28% and complex kinematics (CK) 24%. We find 5% of objects show evidence of a recent major merger, 10% of a minor merger, and 45% of a companion. This argues in favor of ongoing interactions with close companions as a mechanism for the enhanced star formation activity in these galaxies. We find only 5% of objects with clear evidence of AGN activity, and 27% with kinematics consistent with SN-driven galactic winds. Therefore, a different mechanism may be responsible for quenching the star formation in LCBGs. The detailed analysis of the physical properties for each galaxy in the sample is on progress and we show in this poster the results on UCM2325+2318 as a prototype LCBG. Between the possible mechanisms to explain the starburst activity in this galaxy, our 2D spectroscopic data support the scenario of an on-going interaction with the possibility for clump B to be the dwarf satellite galaxy (Castillo-Morales et al. 2011, Pérez-Gallego et al. 2010).

  15. 2-D numerical modeling and experimental investigation of electrochemical mechanisms coupled with heat and mass transfer in a planar direct carbon fuel cell

    NASA Astrophysics Data System (ADS)

    Elleuch, Amal; Sahraoui, Melik; Boussetta, Ahlem; Halouani, Kamel; Li, Yongdan

    2014-02-01

    A two-dimensional modeling of a lab-scale planar Direct Carbon Fuel Cell (DCFC) of 20 mm in diameter is developed by taking into account of the electrochemical mechanisms and mass and heat transfer phenomena in all regions of the cell simultaneously. The electrodes and the electrolyte of the DCFC are both considered as distinct regions with different local properties such as permeability, conductivity and diffusivity. An improved packed bed anodic structure with a finite thickness is also adopted. General boundary conditions are implemented by taking into consideration the species concentrations at the DCFC inlet such as oxygen concentration which is a very important parameter to determine the cell efficiency. The effects of the main operating parameters such as temperature, inlet gas flow velocity and porosity of the electrolyte matrix on the DCFC efficiency are investigated. A sensitivity analysis based on numerical simulations of the effects of cathode kinetic parameters and the anode specific surface area is also performed. Good agreement is obtained between numerical results and experimental data with an absolute average deviation of about 9%.

  16. Density Functional Theory Study of Bandgap Modulation of Si2N-h2D Crystal Nanoribbons and Nanotubes Under Elastic Strain

    NASA Astrophysics Data System (ADS)

    Ma, ShengQian; Li, Feng; Geng, JiGuo

    2017-04-01

    Since efficient synthesis of C2N holey two-dimensional (h2D) crystal has been possible, bandgap modulation through use of analogous nanoribbon and nanotube structures has attracted strong interest. In this study, bandgap modulation of Si2N-h2D nanoribbons and nanotubes under elastic strain has been deeply researched using density functional theory calculations. The results indicate that the bandgap of Si2N-h2D nanoribbons and nanotubes in zigzag and armchair configurations can be tuned in both directions, namely by stretching or compressing, in the range of ɛ = ( d - d 0)/ d 0 from -10% to 10%. It is also found that the bandgap of Si2N-h2D nanoribbons and nanotubes varies with their width. Therefore, it is predicted that Si2N-h2D nanoribbons and nanotubes have great potential for application in nanoscale strain sensors and optoelectronics.

  17. Near-infrared (NIR) monitoring of Nylon 6 during quenching studied by projection two-dimensional (2D) correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Shinzawa, Hideyuki; Mizukado, Junji

    2016-11-01

    Evolutionary change in supermolecular structure of Nylon 6 during its melt-quenched process was studied by Near-infrared (NIR) spectroscopy. Time-resolved NIR spectra was measured by taking the advantage of high-speed NIR monitoring based on an acousto-optic tunable filter (AOTF). Fine spectral features associated with the variation of crystalline and amorphous structure occurring in relatively short time scale were readily captured. For example, synchronous and asynchronous 2D correlation spectra reveal the initial decrease in the contribution of the NIR band at 1485 nm due to the amorphous structure, predominantly existing in the melt Nylon 6. This is then followed by the emerging contribution of the band intensity at 1535 nm associated with the crystalline structure. Consequently, the results clearly demonstrate a definite advantage of the high-speed NIR monitoring for analyzing fleeting phenomena.

  18. Artifacts in time-resolved NUS: A case study of NOE build-up curves from 2D NOESY

    NASA Astrophysics Data System (ADS)

    Dass, Rupashree; Kasprzak, Paweł; Koźmiński, Wiktor; Kazimierczuk, Krzysztof

    2016-04-01

    Multidimensional NMR spectroscopy requires time-consuming sampling of indirect dimensions and so is usually used to study stable samples. However, dynamically changing compounds or their mixtures commonly occur in problems of natural science. Monitoring them requires the use multidimensional NMR in a time-resolved manner - in other words, a series of quick spectra must be acquired at different points in time. Among the many solutions that have been proposed to achieve this goal, time-resolved non-uniform sampling (TR-NUS) is one of the simplest. In a TR-NUS experiment, the signal is sampled using a shuffled random schedule and then divided into overlapping subsets. These subsets are then processed using one of the NUS reconstruction methods, for example compressed sensing (CS). The resulting stack of spectra forms a temporal "pseudo-dimension" that shows the changes caused by the process occurring in the sample. CS enables the use of small subsets of data, which minimizes the averaging of the effects studied. Yet, even within these limited timeframes, the sample undergoes certain changes. In this paper we discuss the effect of varying signal amplitude in a TR-NUS experiment. Our theoretical calculations show that the variations within the subsets lead to t1 -noise, which is dependent on the rate of change of the signal amplitude. We verify these predictions experimentally. As a model case we choose a novel 2D TR-NOESY experiment in which mixing time is varied in parallel with shuffled NUS in the indirect dimension. The experiment, performed on a sample of strychnine, provides a near-continuous NOE build-up curve, whose shape closely reflects the t1 -noise level. 2D TR-NOESY reduces the measurement time compared to the conventional approach and makes it possible to verify the theoretical predictions about signal variations during TR-NUS.

  19. Numerical study on 3D composite morphing actuators

    NASA Astrophysics Data System (ADS)

    Oishi, Kazuma; Saito, Makoto; Anandan, Nishita; Kadooka, Kevin; Taya, Minoru

    2015-04-01

    There are a number of actuators using the deformation of electroactive polymer (EAP), where fewer papers seem to have focused on the performance of 3D morphing actuators based on the analytical approach, due mainly to their complexity. The present paper introduces a numerical analysis approach on the large scale deformation and motion of a 3D half dome shaped actuator composed of thin soft membrane (passive material) and EAP strip actuators (EAP active coupon with electrodes on both surfaces), where the locations of the active EAP strips is a key parameter. Simulia/Abaqus Static and Implicit analysis code, whose main feature is the high precision contact analysis capability among structures, are used focusing on the whole process of the membrane to touch and wrap around the object. The unidirectional properties of the EAP coupon actuator are used as input data set for the material properties for the simulation and the verification of our numerical model, where the verification is made as compared to the existing 2D solution. The numerical results can demonstrate the whole deformation process of the membrane to wrap around not only smooth shaped objects like a sphere or an egg, but also irregularly shaped objects. A parametric study reveals the proper placement of the EAP coupon actuators, with the modification of the dome shape to induce the relevant large scale deformation. The numerical simulation for the 3D soft actuators shown in this paper could be applied to a wider range of soft 3D morphing actuators.

  20. Multicomponent, 3-D, and High-Resolution 2-D Seismic Characterization of Gas Hydrate Study Sites in the Gulf of Mexico

    NASA Astrophysics Data System (ADS)

    Haines, S. S.; Hart, P. E.; Ruppel, C. D.; Collett, T. S.; Shedd, W.; Lee, M. W.; Miller, J.

    2012-12-01

    High saturations of gas hydrates have been identified within coarse-grained sediments in the Green Canyon 955 and Walker Ridge 313 lease blocks of the deepwater northern Gulf of Mexico. The thickness, lateral extent, and hydrate saturations in these deposits are constrained by geological and geophysical data and state-of-the-art logging-while-drilling information obtained in multiple boreholes at each site during a 2009 expedition. Presently lacking are multicomponent seismic data that can provide a thorough understanding of the in-situ compressional and shear seismic properties of the hydrate-bearing sediments. Such data may represent an important tool for future characterization of gas hydrate resources. To address this data gap, the U.S. Geological Survey, the U.S. Department of Energy, and the Bureau of Ocean Energy Management will collaborate on a 20-day research expedition to acquire wide-angle ocean bottom seismometer and high-resolution vertical incidence 2-D seismic data at the study sites. In preparation for this mid-2013 expedition, we have analyzed existing industry 3-D seismic data, along with numerically modeled multicomponent data. The 3-D seismic data allow us to identify and rank specific survey targets and can be combined with the numerical modeling results to determine optimal survey line orientation and acquisition parameters. Together, these data also provide a more thorough understanding of the gas hydrate systems at these two sites.

  1. Development of hydraulic fracture network propagation model in shale gas reservoirs: 2D, single-phase and 3D, multi-phase model development, parametric studies, and verification

    NASA Astrophysics Data System (ADS)

    Ahn, Chong Hyun

    The most effective method for stimulating shale gas reservoirs is a massive hydraulic fracture treatment. Recent analysis using microseismic technology have shown that complex fracture networks are commonly created in the field as a result of the stimulation of shale wells. The interaction between pre-existing natural fractures and the propagating hydraulic fracture is a critical factor affecting the created complex fracture network; however, many existing numerical models simulate only planar hydraulic fractures without considering the pre-existing fractures in the formation. The shale formations already contain a large number of natural fractures, so an accurate fracture propagation model needs to be developed to optimize the fracturing process. In this research, we first characterized the mechanics of hydraulic fracturing and fluid flow in the shale gas reservoir. Then, a 2D, single-phase numerical model and a 3D, 2-phase coupled model were developed, which integrate dynamic fracture propagation, interactions between hydraulic fractures and pre-existing natural fractures, fracture fluid leakoff, and fluid flow in a petroleum reservoir. By using the developed model, we conducted parametric studies to quantify the effects of treatment rate, treatment size, fracture fluid viscosity, differential horizontal stress, natural fracture spacing, fracture toughness, matrix permeability, and proppant size on the geometry of the hydraulic fracture network. The findings elucidate important trends in hydraulic fracturing of shale reservoirs that are useful in improving the design of treatments for specific reservoir settings.

  2. An integrated system for 3D hip joint reconstruction from 2D X-rays: a preliminary validation study.

    PubMed

    Schumann, Steffen; Liu, Li; Tannast, Moritz; Bergmann, Mathias; Nolte, Lutz-P; Zheng, Guoyan

    2013-10-01

    The acquisition of conventional X-ray radiographs remains the standard imaging procedure for the diagnosis of hip-related problems. However, recent studies demonstrated the benefit of using three-dimensional (3D) surface models in the clinical routine. 3D surface models of the hip joint are useful for assessing the dynamic range of motion in order to identify possible pathologies such as femoroacetabular impingement. In this paper, we present an integrated system which consists of X-ray radiograph calibration and subsequent 2D/3D hip joint reconstruction for diagnosis and planning of hip-related problems. A mobile phantom with two different sizes of fiducials was developed for X-ray radiograph calibration, which can be robustly detected within the images. On the basis of the calibrated X-ray images, a 3D reconstruction method of the acetabulum was developed and applied together with existing techniques to reconstruct a 3D surface model of the hip joint. X-ray radiographs of dry cadaveric hip bones and one cadaveric specimen with soft tissue were used to prove the robustness of the developed fiducial detection algorithm. Computed tomography scans of the cadaveric bones were used to validate the accuracy of the integrated system. The fiducial detection sensitivity was in the same range for both sizes of fiducials. While the detection sensitivity was 97.96% for the large fiducials, it was 97.62% for the small fiducials. The acetabulum and the proximal femur were reconstructed with a mean surface distance error of 1.06 and 1.01 mm, respectively. The results for fiducial detection sensitivity and 3D surface reconstruction demonstrated the capability of the integrated system for 3D hip joint reconstruction from 2D calibrated X-ray radiographs.

  3. 2-D numerical simulations of groundwater flow, heat transfer and 4He transport — implications for the He terrestrial budget and the mantle helium heat imbalance

    NASA Astrophysics Data System (ADS)

    Castro, Maria Clara; Patriarche, Delphine; Goblet, Patrick

    2005-09-01

    Because helium and heat production results from a common source, a continental 4He crustal flux of 4.65 * 10 - 14 mol m - 2 s - 1 has been estimated based on heat flow considerations. In addition, because the observed mantle He / heat flux ratio at the proximity of mid-ocean ridges (6.6 * 10 - 14 mol J - 1 ) is significantly lower than the radiogenic production ratio (1.5 * 10 - 12 mol J - 1 ), the presence of a terrestrial helium-heat imbalance was suggested. The latter could be explained by the presence of a layered mantle in which removal of He is impeded from the lower mantle [R.K. O'Nions, E.R. Oxburgh, Heat and helium in the Earth, Nature 306 (1983) 429-431; E.R. Oxburgh, R.K. O'Nions, Helium loss, tectonics, and the terrestrial heat budget, Science 237 (1987) 1583-1588]. van Keken et al. [P.E. van Keken, C.J. Ballentine, D. Porcelli, A dynamical investigation of the heat and helium imbalance, Earth Planet, Sci. Lett. 188 (2001) 421-434] have recently claimed that the helium-heat imbalance remains a robust observation. Such conclusions, however, were reached under the assumption that a steady-state regime was in place for both tracers and that their transport properties are similar at least in the upper portion of the crust. Here, through 2-D simulations of groundwater flow, heat transfer and 4He transport carried out simultaneously in the Carrizo aquifer and surrounding formations in southwest Texas, we assess the legitimacy of earlier assumptions. Specifically, we show that the driving transport mechanisms for He and heat are of a fundamentally different nature for a high range of permeabilities ( k ≤ 10 - 16 m 2) found in metamorphic and volcanic rocks at all depths in the crust. The assumption that transport properties for these two tracers are similar in the crust is thus unsound. We also show that total 4He / heat flux ratios lower than radiogenic production ratios do not reflect a He deficit in the crust or mantle original reservoir. Instead, they

  4. Loss of Heterozygosity at the CYP2D6 Locus in Breast Cancer: Implications for Germline Pharmacogenetic Studies

    PubMed Central

    Goetz, Matthew P.; Sun, James X.; Suman, Vera J.; Silva, Grace O.; Perou, Charles M.; Nakamura, Yusuke; Cox, Nancy J.; Stephens, Philip J.; Miller, Vincent A.; Ross, Jeffrey S.; Chen, David; Safgren, Stephanie L.; Kuffel, Mary J.; Ames, Matthew M.; Kalari, Krishna R.; Gomez, Henry L.; Gonzalez-Angulo, Ana M.; Burgues, Octavio; Brauch, Hiltrud B.; Ingle, James N.; Ratain, Mark J.; Yelensky, Roman

    2015-01-01

    Background: Controversy exists regarding the impact of CYP2D6 genotype on tamoxifen responsiveness. We examined loss of heterozygosity (LOH) at the CYP2D6 locus and determined its impact on genotyping error when tumor tissue is used as a DNA source. Methods: Genomic tumor data from the adjuvant and metastatic settings (The Cancer Genome Atlas [TCGA] and Foundation Medicine [FM]) were analyzed to characterize the impact of CYP2D6 copy number alterations (CNAs) and LOH on Hardy Weinberg equilibrium (HWE). Additionally, we analyzed CYP2D6 *4 genotype from formalin-fixed paraffin-embedded (FFPE) tumor blocks containing nonmalignant tissue and buccal (germline) samples from patients on the North Central Cancer Treatment Group (NCCTG) 89-30-52 tamoxifen trial. All statistical tests were two-sided. Results: In TCGA samples (n =627), the CYP2D6 LOH rate was similar in estrogen receptor (ER)–positive (41.2%) and ER-negative (35.2%) but lower in HER2-positive tumors (15.1%) (P < .001). In FM ER+ samples (n = 290), similar LOH rates were observed (40.8%). In 190 NCCTG samples, the agreement between CYP2D6 genotypes derived from FFPE tumors and FFPE tumors containing nonmalignant tissue was moderate (weighted Kappa = 0.74; 95% CI = 0.63 to 0.84). Comparing CYP2D6 genotypes derived from buccal cells to FFPE tumor DNA, CYP2D6*4 genotype was discordant in six of 31(19.4%). In contrast, there was no disagreement between CYP2D6 genotypes derived from buccal cells with FFPE tumors containing nonmalignant tissue. Conclusions: LOH at the CYP2D6 locus is common in breast cancer, resulting in potential misclassification of germline CYP2D6 genotypes. Tumor DNA should not be used to determine germline CYP2D6 genotype without sensitive techniques to detect low frequency alleles and quality control procedures appropriate for somatic DNA. PMID:25490892

  5. Quality control and stability studies with the monoclonal antibody, trastuzumab: application of 1D- vs. 2D-gel electrophoresis.

    PubMed

    Nebija, Dashnor; Noe, Christian R; Urban, Ernst; Lachmann, Bodo

    2014-04-15

    Recombinant monoclonal antibodies (rmAbs) are medicinal products obtained by rDNA technology. Consequently, like other biopharmaceuticals, they require the extensive and rigorous characterization of the quality attributes, such as identity, structural integrity, purity and stability. The aim of this work was to study the suitability of gel electrophoresis for the assessment of charge heterogeneity, post-translational modifications and the stability of the therapeutic, recombinant monoclonal antibody, trastuzumab. One-dimensional, SDS-PAGE, under reducing and non-reducing conditions, and two-dimensional gel electrophoresis were used for the determination of molecular mass (Mr), the isoelectric point (pI), charge-related isoform patterns and the stability of trastuzumab, subjected to stressed degradation and long-term conditions. For the assessment of the influence of glycosylation in the charge heterogeneity pattern of trastuzumab, an enzymatic deglycosylation study has been performed using N-glycosidase F and sialidase, whereas carboxypeptidase B was used for the lysine truncation study. Experimental data documented that 1D and 2D gel electrophoresis represent fast and easy methods to evaluate the quality of biological medicinal products. Important stability parameters, such as the protein aggregation, can be assessed, as well.

  6. A Comparative Study of 2D PCA Face Recognition Method with Other Statistically Based Face Recognition Methods

    NASA Astrophysics Data System (ADS)

    Senthilkumar, R.; Gnanamurthy, R. K.

    2016-09-01

    In this paper, two-dimensional principal component analysis (2D PCA) is compared with other algorithms like 1D PCA, Fisher discriminant analysis (FDA), independent component analysis (ICA) and Kernel PCA (KPCA) which are used for image representation and face recognition. As opposed to PCA, 2D PCA is based on 2D image matrices rather than 1D vectors, so the image matrix does not need to be transformed into a vector prior to feature extraction. Instead, an image covariance matrix is constructed directly using the original image matrices and its Eigen vectors are derived for image feature extraction. To test 2D PCA and evaluate its performance, a series of experiments are performed on three face image databases: ORL, Senthil, and Yale face databases. The recognition rate across all trials higher using 2D PCA than PCA, FDA, ICA and KPCA. The experimental results also indicated that the extraction of image features is computationally more efficient using 2D PCA than PCA.

  7. Ancillary studies in the Bypass Angioplasty Revascularization Investigation 2 Diabetes (BARI 2D) Trial: Synergies and opportunities.

    PubMed

    Sobel, Burton E

    2006-06-19

    The definitive power of randomized controlled trials (RCTs) to characterize the efficacy of putative therapeutic approaches cannot be overestimated. Such trials are expensive, and their implementation requires prolonged and intensive commitments by both investigators and subjects. Accordingly, enhancing their value, in a sense increasing the "scientific return on investment," is a laudatory objective. Ancillary studies afford a great opportunity to do so. They permit acquisition of new knowledge, elucidation of cause/consequence relation, and delineation of pathogenetic mechanisms at a much lower cost than would be possible if they were performed independently of the parent RCTs. In addition, their utility is enhanced by internal consistency under the rubric of the parent trial and the presumed external validation of the parent trial. Several ancillary studies undertaken in conjunction with the Bypass Angioplasty Revascularization Investigation 2 Diabetes (BARI 2D) trial provide cogent examples. They seek to delineate causal connections linking the accelerated coronary disease typical of diabetes with phenomena such as genetic predisposition to altered expression of cytokines and fibrinolytic system proteins, inflammation, procoagulation, insulin-induced impairment of fibrinolysis, insulin resistance, and the response to insulin-sensitizing and insulin-providing treatment strategies.

  8. NKG2D ligand tumor expression and association with clinical outcome in early breast cancer patients: an observational study

    PubMed Central

    2012-01-01

    Background Cell surface NKG2D ligands (NKG2DL) bind to the activating NKG2D receptor present on NK cells and subsets of T cells, thus playing a role in initiating an immune response. We examined tumor expression and prognostic effect of NKG2DL in breast cancer patients. Methods Our study population (n = 677) consisted of all breast cancer patients primarily treated with surgery in our center between 1985 and 1994. Formalin-fixed paraffin-embedded tumor tissue was immunohistochemically stained with antibodies directed against MIC-A/MIC-B (MIC-AB), ULBP-1, ULBP-2, ULBP-3, ULBP-4, and ULBP-5. Results NKG2DL were frequently expressed by tumors (MIC-AB, 50% of the cases; ULBP-1, 90%; ULBP-2, 99%; ULBP-3, 100%; ULBP-4, 26%; ULBP-5, 90%) and often showed co-expression: MIC-AB and ULBP-4 (p = 0.043), ULBP-1 and ULBP-5 (p = 0.006), ULBP-4 and ULBP-5 (p < 0.001). MIC-AB (p = 0.001) and ULBP-2 (p = 0.006) expression resulted in a statistically significant longer relapse free period (RFP). Combined expression of these ligands showed to be an independent prognostic parameter for RFP (p < 0.001, HR 0.41). Combined expression of all ligands showed no associations with clinical outcome. Conclusions We demonstrated for the first time that NKG2DL are frequently expressed and often co-expressed in breast cancer. Expression of MIC-AB and ULBP-2 resulted in a statistically significant beneficial outcome concerning RFP with high discriminative power. Combination of all NKG2DL showed no additive or interactive effect of ligands on each other, suggesting that similar and co-operative functioning of all NKG2DL can not be assumed. Our observations suggest that among driving forces in breast cancer outcome are immune activation on one site and tumor immune escape on the other site. PMID:22257486

  9. Impact of Nanosize on Supercapacitance: Study of 1D Nanorods and 2D Thin-Films of Nickel Oxide.

    PubMed

    Patil, Ranjit A; Chang, Cheng-Ping; Devan, Rupesh S; Liou, Yung; Ma, Yuan-Ron

    2016-04-20

    We synthesized unique one-dimensional (1D) nanorods and two-dimensional (2D) thin-films of NiO on indium-tin-oxide thin-films using a hot-filament metal-oxide vapor deposition technique. The 1D nanorods have an average width and length of ∼100 and ∼500 nm, respectively, and the densely packed 2D thin-films have an average thickness of ∼500 nm. The 1D nanorods perform as parallel units for charge storing. However, the 2D thin-films act as one single unit for charge storing. The 2D thin-films possess a high specific capacitance of ∼746 F/g compared to 1D nanorods (∼230 F/g) using galvanostatic charge-discharge measurements at a current density of 3 A/g. Because the 1D NiO nanorods provide more plentiful surface areas than those of the 2D thin-films, they are fully active at the first few cycles. However, the capacitance retention of the 1D nanorods decays faster than that of the 2D thin-films. Also, the 1D NiO nanorods suffer from instability due to the fast electrochemical dissolution and high nanocontact resistance. Electrochemical impedance spectroscopy verifies that the low dimensionality of the 1D NiO nanorods induces the unavoidable effects that lead them to have poor supercapacitive performances. On the other hand, the slow electrochemical dissolution and small contact resistance in the 2D NiO thin-films favor to achieve high specific capacitance and great stability.

  10. Study of Cardiac Defibrillation Through Numerical Simulations

    NASA Astrophysics Data System (ADS)

    Bragard, J.; Marin, S.; Cherry, E. M.; Fenton, F. H.

    Three-dimensional numerical simulations of the defibrillation problem are presented. In particular, in this study we use the rabbit ventricular geometry as a realistic model system for evaluating the efficacy of defibrillatory shocks. Statistical data obtained from the simulations were analyzed in term of a dose-response curve. Good quantitative agreement between our numerical results and clinically relevant values is obtained. An electric field strength of about 6.6 V/cm indicates a fifty percent probability of successful defibrillation for a 12-ms monophasic shock. Our validated model will be useful for optimizing defibrillation protocols.

  11. A Numerical Study on Microwave Coagulation Therapy

    DTIC Science & Technology

    2013-01-01

    improvement of therapeutic effect. References [1] P. Prakash, “Theoretical Modeling for Hepatic Microwave Ablation ,” The Open Biomedical...A Numerical Study on Microwave Coagulation Therapy Amy J. Liu † , Hong Zhou * and Wei Kang * Department of Applied Mathematics Naval...is properly cited. Abstract Microwave coagulation therapy is a clinical technique for treating hepatocellular carcinoma (small size liver

  12. Numerical study of localization in antidot lattices

    NASA Astrophysics Data System (ADS)

    Uryu, Seiji; Ando, Tsuneya

    1998-10-01

    Localization effects in antidot lattices in weak magnetic fields are numerically studied with the use of a Thouless-number method. In hexagonal antidot lattices, both conductance and inverse localization length oscillate as a function of a magnetic flux with the same period as an Al'tshuler-Aronov-Spivak oscillation, in qualitative agreement with recent experiments.

  13. Effects of Clostridium difficile Toxin A on the proteome of colonocytes studied by differential 2D electrophoresis.

    PubMed

    Zeiser, Johannes J; Klodmann, Jennifer; Braun, Hans-Peter; Gerhard, Ralf; Just, Ingo; Pich, Andreas

    2011-12-21

    Clostridium difficile is a spore-forming anaerobic pathogen, commonly associated with severe diarrhea or life-threatening pseudomembraneous colitis. Its main virulence factors are the single-chain, multi-domain toxin A (TcdA) and B (TcdB). Their glucosyltransferase domain selectively inactivates Rho proteins leading to a reorganization of the cytoskeleton. To study exclusively glucosyltransferase-dependent molecular effects of TcdA, human colonic cells (Caco-2) were treated with recombinant wild type TcdA and the glucosyltransferase deficient variant of the toxin, TcdA(gd) for 24h. Changes in the protein pattern of the colonic cells were investigated by 2-D DIGE and LCMS/MS methodology combined with detailed proteome mapping. gdTcdA did not induce any detectable significant changes in the protein pattern. Comparing TcdA-treated cells with a control group revealed seven spots of higher and two of lower intensity (p<0.05). Three proteins are involved in the assembly of the cytoskeleton (β-actin, ezrin, and DPYL2) and four are involved in metabolism and/or oxidative stress response (ubiquitin, DHE3, MCCB, FABPL) and two in regulatory processes (FUBP1, AL1A1). These findings correlate well to known effects of TcdA like the reorganization of the cytoskeleton and stress the importance of Rho protein glucosylation for the pathogenic effects of TcdA.

  14. Tropical Convective Responses to Microphysical and Radiative Processes: A Sensitivity Study With a 2D Cloud Resolving Model

    NASA Technical Reports Server (NTRS)

    Li, Xiao-Fan; Sui, C.-H.; Lau, K.-M.; Tao, W.-K.

    2004-01-01

    Prognostic cloud schemes are increasingly used in weather and climate models in order to better treat cloud-radiation processes. Simplifications are often made in such schemes for computational efficiency, like the scheme being used in the National Centers for Environment Prediction models that excludes some microphysical processes and precipitation-radiation interaction. In this study, sensitivity tests with a 2D cloud resolving model are carried out to examine effects of the excluded microphysical processes and precipitation-radiation interaction on tropical thermodynamics and cloud properties. The model is integrated for 10 days with the imposed vertical velocity derived from the Tropical Ocean Global Atmosphere Coupled Ocean-Atmosphere Response Experiment. The experiment excluding the depositional growth of snow from cloud ice shows anomalous growth of cloud ice and more than 20% increase of fractional cloud cover, indicating that the lack of the depositional snow growth causes unrealistically large mixing ratio of cloud ice. The experiment excluding the precipitation-radiation interaction displays a significant cooling and drying bias. The analysis of heat and moisture budgets shows that the simulation without the interaction produces more stable upper troposphere and more unstable mid and lower troposphere than does the simulation with the interaction. Thus, the suppressed growth of ice clouds in upper troposphere and stronger radiative cooling in mid and lower troposphere are responsible for the cooling bias, and less evaporation of rain associated with the large-scale subsidence induces the drying in mid and lower troposphere.

  15. Study of proton conductivity of a 2D flexible MOF and a 1D coordination polymer at higher temperature.

    PubMed

    Sanda, Suresh; Biswas, Soumava; Konar, Sanjit

    2015-02-16

    We report the proton conduction properties of a 2D flexible MOF and a 1D coordination polymer having the molecular formulas {[Zn(C10H2O8)0.5(C10S2N2H8)]·5H2O]}n (1) and {[Zn(C10H2O8)0.5(C10S2N2H8)]·2H2O]}n (2), respectively. Compounds 1 and 2 show high conductivity values of 2.55 × 10(-7) and 4.39 × 10(-4) S cm(-1) at 80 °C and 95% RH. The conductivity value of compound 1 is in the range of those for previously reported flexible MOFs, and compound 2 shows the highest proton conductivity among the carboxylate-based 1D CPs. The dimensionality and the internal hydrogen bonding connectivity play a vital role in the resultant conductivity. Variable-temperature experiments of both compounds at high humidity reveal that the conductivity values increase with increasing temperature, whereas the variable humidity studies signify the influence of relative humidity on high-temperature proton conductivity. The time-dependent measurements for both compounds demonstrate their ability to retain conductivity up to 10 h.

  16. A 2D simulation study of Langmuir, whistler, and cyclotron maser instabilities induced by an electron ring-beam distribution

    SciTech Connect

    Lee, K. H.; Lee, L. C.; Omura, Y.

    2011-09-15

    We carried out a series of 2D simulations to study the beam instability and cyclotron maser instability (CMI) with the initial condition that a population of tenuous energetic electrons with a ring-beam distribution is present in a magnetized background plasma. In this paper, weakly relativistic cases are discussed with the ring-beam kinetic energy ranging from 25 to 100 keV. The beam component leads to the two-stream or beam instability at an earlier stage, and the beam mode is coupled with Langmuir or whistler mode, leading to excitation of beam-Langmuir or beam-whistler waves. When the beam velocity is large with a strong beam instability, the initial ring-beam distribution is diffused in the parallel direction rapidly. The diffused distribution may still support CMI to amplify the X1 mode (the fundamental X mode). On the contrary, when the beam velocity is small and the beam instability is weak, CMI can amplify the Z1 (the fundamental Z mode) effectively while the O1 (the fundamental O mode) and X2 (the second harmonic X mode) modes are very weak and the X1 mode is not excited. In this report, different cases with various parameters are presented and discussed for a comprehensive understanding of ring-beam instabilities.

  17. 2D numerical simulation of impinging jet onto the concave surface by k - w - overline{{v2 }} - f turbulence model

    NASA Astrophysics Data System (ADS)

    Seifi, Zeinab; Nazari, Mohammad Reza; Khalaji, Erfan

    2017-01-01

    In the present article, the characteristics of turbulent jet impinging onto a concave surface is studied using k - w - overline{{v2 }} - f turbulence model. Dependent parameters such as inlet Reynolds number (2960 < Re < 12,000), nozzle-plate distance (4 < H/B < 10), concavity (D/B = 30, 60) of confined and unconfined impinging jet are scrutinized to find out whether this approach would bring any privileges compared to other investigations or not. The obtained results indicate better performance in low nozzle-plate distance in comparison with those mentioned in other literatures. Furthermore, the average Nusselt number of confined impinging jet overtakes unconfined one (similar circumstances) while this trend will decline as relative concavity increases. Moreover, local heat transfer of stagnation area and wall jet goes up and down through nozzle-plate distance enhancement respectively. Finally, the effects of sinusoidal pulsed inlet profile on heat transfer of unconfined impinging jet indicate direct affiliation of amplitude and neutral impact of frequency on Nusselt number distribution.

  18. A Two-Dimensional Difference Gel Electrophoresis (2D-DIGE) Protocol for Studies of Neural Precursor Cells.

    PubMed

    Guest, Paul C

    2017-01-01

    This chapter describes the basics of two-dimensional difference gel electrophoresis (2D-DIGE) for multiplex analysis of up to distinct proteomes. The example given describes the analysis of undifferentiated and differentiated neural precursor cells labelled with fluorescent Cy3 and Cy5 dyes in comparison to a pooled standard labelled with Cy2. After labelling, the proteomes are mixed together and electrophoresed on the same 2D gels. Scanning the gels at wavelengths specific for each dye allows direct overlay of the two different proteomes and the differences in abundance of specific protein spots can be determined through comparison to the pooled standard.

  19. Study on antibacterial alginate-stabilized copper nanoparticles by FT-IR and 2D-IR correlation spectroscopy

    PubMed Central

    Díaz-Visurraga, Judith; Daza, Carla; Pozo, Claudio; Becerra, Abraham; von Plessing, Carlos; García, Apolinaria

    2012-01-01

    Background The objective of this study was to clarify the intermolecular interaction between antibacterial copper nanoparticles (Cu NPs) and sodium alginate (NaAlg) by Fourier transform infrared spectroscopy (FT-IR) and to process the spectra applying two-dimensional infrared (2D-IR) correlation analysis. To our knowledge, the addition of NaAlg as a stabilizer of copper nanoparticles has not been previously reported. It is expected that the obtained results will provide valuable additional information on: (1) the influence of reducing agent ratio on the formation of copper nanoparticles in order to design functional nanomaterials with increased antibacterial activity, and (2) structural changes related to the incorporation of Cu NPs into the polymer matrix. Methods Cu NPs were prepared by microwave heating using ascorbic acid as reducing agent and NaAlg as stabilizing agent. The characterization of synthesized Cu NPs by ultraviolet visible spectroscopy, transmission electron microscopy (TEM), electron diffraction analysis, X-ray diffraction (XRD), and semiquantitative analysis of the weight percentage composition indicated that the average particle sizes of Cu NPs are about 3–10 nm, they are spherical in shape, and consist of zerovalent Cu and Cu2O. Also, crystallite size and relative particle size of stabilized Cu NPs were calculated by XRD using Scherrer’s formula and FT from the X-ray diffraction data. Thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry (DSC), FT-IR, second-derivative spectra, and 2D-IR correlation analysis were applied to studying the stabilization mechanism of Cu NPs by NaAlg molecules. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of stabilized Cu NPs against five bacterial strains (Staphylococccus aureus ATCC 6538P, Escherichia coli ATCC 25922 and O157: H7, and Salmonella enterica serovar Typhimurium ATCC 13311 and 14028) were evaluated with macrodilution

  20. Hydrodynamic study of freely swimming shark fish propulsion for marine vehicles using 2D particle image velocimetry.

    PubMed

    Babu, Mannam Naga Praveen; Mallikarjuna, J M; Krishnankutty, P

    Two-dimensional velocity fields around a freely swimming freshwater black shark fish in longitudinal (XZ) plane and transverse (YZ) plane are measured using digital particle image velocimetry (DPIV). By transferring momentum to the fluid, fishes generate thrust. Thrust is generated not only by its caudal fin, but also using pectoral and anal fins, the contribution of which depends on the fish's morphology and swimming movements. These fins also act as roll and pitch stabilizers for the swimming fish. In this paper, studies are performed on the flow induced by fins of freely swimming undulatory carangiform swimming fish (freshwater black shark, L = 26 cm) by an experimental hydrodynamic approach based on quantitative flow visualization technique. We used 2D PIV to visualize water flow pattern in the wake of the caudal, pectoral and anal fins of swimming fish at a speed of 0.5-1.5 times of body length per second. The kinematic analysis and pressure distribution of carangiform fish are presented here. The fish body and fin undulations create circular flow patterns (vortices) that travel along with the body waves and change the flow around its tail to increase the swimming efficiency. The wake of different fins of the swimming fish consists of two counter-rotating vortices about the mean path of fish motion. These wakes resemble like reverse von Karman vortex street which is nothing but a thrust-producing wake. The velocity vectors around a C-start (a straight swimming fish bends into C-shape) maneuvering fish are also discussed in this paper. Studying flows around flapping fins will contribute to design of bioinspired propulsors for marine vehicles.

  1. 3D localized 2D ultrafast J-resolved magnetic resonance spectroscopy: in vitro study on a 7 T imaging system.

    PubMed

    Roussel, T; Giraudeau, P; Ratiney, H; Akoka, S; Cavassila, S

    2012-02-01

    2D Magnetic Resonance Spectroscopy (MRS) is a well known tool for the analysis of complicated and overlapped MR spectra and was therefore originally used for structural analysis. It also presents a potential for biomedical applications as shown by an increasing number of works related to localized in vivo experiments. However, 2D MRS suffers from long acquisition times due to the necessary collection of numerous increments in the indirect dimension (t(1)). This paper presents the first 3D localized 2D ultrafast J-resolved MRS sequence, developed on a small animal imaging system, allowing the acquisition of a 3D localized 2D J-resolved MRS spectrum in a single scan. Sequence parameters were optimized regarding Signal-to-Noise ratio and spectral resolution. Sensitivity and spatial localization properties were characterized and discussed. An automatic post-processing method allowing the reduction of artifacts inherent to ultrafast excitation is also presented. This sequence offers an efficient signal localization and shows a great potential for in vivo dynamic spectroscopy.

  2. Mixed micelles of polyethylene glycol (23) lauryl ether with ionic surfactants studied by proton 1D and 2D NMR.

    PubMed

    Gao, Hong-Chang; Zhao, Sui; Mao, Shi-Zhen; Yuan, Han-Zhen; Yu, Jia-Yong; Shen, Lian-Fang; Du, You-Ru

    2002-05-01

    (1)H NMR chemical shift, spin-lattice relaxation time, spin-spin relaxation time, self-diffusion coefficient, and two-dimensional nuclear Overhauser enhancement (2D NOESY) measurements have been used to study the nonionic-ionic surfactant mixed micelles. Cetyl trimethyl ammonium bromide (CTAB) and sodium dodecyl sulfate (SDS) were used as the ionic surfactants and polyethylene glycol (23) lauryl ether (Brij-35) as the nonionic surfactant. The two systems are both with varying molar ratios of CTAB/Brij-35 (C/B) and SDS/Brij-35 (S/B) ranging from 0.5 to 2, respectively, at a constant concentration of 6 mM for Brij-35 in aqueous solutions. Results give information about the relative arrangement of the surfactant molecules in the mixed micelles. In the former system, the trimethyl groups attached to the polar heads of the CTAB molecules are located between the first oxy-ethylene groups next to the hydrophobic chains of Brij-35 molecules. These oxy-ethylene groups gradually move outward from the hydrophobic core of the mixed micelle with an increase in C/B in the mixed solution. In contrast to the case of the CTAB/Triton X-100 system, the long flexible hydrophilic poly oxy-ethylene chains, which are in the exterior part of the mixed micelles, remain coiled, but looser, surrounding the hydrophobic core. There is almost no variation in conformation of the hydrophilic chains of Brij-35 molecules in the mixed micelles of the SDS/Brij-35 system as the S/B increases. The hydrophobic chains of both CTAB and SDS are co-aggregated with Brij-35, respectively, in their mixed micellar cores.

  3. 2D-ELDOR study of heterogeneity and domain structure changes in plasma membrane vesicles upon cross-linking of receptors.

    PubMed

    Chiang, Yun-Wei; Costa-Filho, Antonio J; Baird, Barbara; Freed, Jack H

    2011-09-08

    2D electron-electron double resonance (2D-ELDOR) with the "full Sc-" method of analysis is applied to the study of plasma membrane vesicles. Membrane structural changes upon antigen cross-linking of IgE receptors (IgE-FcεRI) in plasma membrane vesicles (PMVs) isolated from RBL-2H3 mast cells are investigated, for the first time, by means of these 2D-ELDOR techniques. Spectra of 1-palmitoyl-2-(16-doxyl stearoyl) phosphatidylcholine (16-PC) from PMVs before and after this stimulation at several temperatures are reported. The results demonstrate a coexistence of liquid-ordered (L(o)) and liquid-disordered (L(d)) components. We find that upon cross-linking, the membrane environment is remodeled to become more disordered, as shown by a moderate increase in the population of the L(d) component. This change in the relative amount of the L(o) versus L(d) components upon cross-linking is consistent with a model wherein the IgE receptors, which when clustered by antigen to cause cell stimulation, lead to more disordered lipids, and their dynamic and structural properties are slightly altered. This study demonstrates that 2D-ELDOR, analyzed by the full Sc- method, is a powerful approach for capturing the molecular dynamics in biological membranes. This is a particular case showing how 2D-ELDOR can be applied to study physical processes in complex systems that yield subtle changes.

  4. Study on molecular structure and hydration mechanism of Domyoji-ko starch by IR and NIR hetero 2D analysis

    NASA Astrophysics Data System (ADS)

    Katayama, Norihisa; Kondo, Miyuki; Miyazawa, Mitsuhiro

    2010-06-01

    The hydration structure of starch molecule in Domyoji-ko, which is made from gluey rice, was investigated by hetero 2D correlation analysis of IR and NIR spectroscopy. The feature near 1020 cm -1 in the IR spectra of Domyoji-ko is changed by rehydration process, indicating that the molecular structure of amylopectin in the starch has been varied by the hydration without heating. The intensity of a band at 4770 cm -1 in NIR spectra is decreasing with the increasing of either the heating time with water or rehydration time without heating. These results suggest that the hydration of Domyoji-ko has proceeded in similar mechanisms on these processes. The generalized hetero 2D IR-NIR correlation analysis for rehydration of Domyoji-ko has supported the assignments for NIR bands concerning the gelatinization of starch.

  5. Theoretical Study of Large-Angle Bending Transport of Microparticles by 2D Acoustic Half-Bessel Beams.

    PubMed

    Li, Yixiang; Qiu, Chunyin; Xu, Shengjun; Ke, Manzhu; Liu, Zhengyou

    2015-08-17

    Conventional microparticle transports by light or sound are realized along a straight line. Recently, this limit has been overcome in optics as the growing up of the self-accelerating Airy beams, which are featured by many peculiar properties, e.g., bending propagation, diffraction-free and self-healing. However, the bending angles of Airy beams are rather small since they are only paraxial solutions of the two-dimensional (2D) Helmholtz equation. Here we propose a novel micromanipulation by using acoustic Half-Bessel beams, which are strict solutions of the 2D Helmholtz equation. Compared with that achieved by Airy beams, the bending angle of the particle trajectory attained here is much steeper (exceeding 90(o)). The large-angle bending transport of microparticles, which is robust to complex scattering environment, enables a wide range of applications from the colloidal to biological sciences.

  6. Theoretical Study of Large-Angle Bending Transport of Microparticles by 2D Acoustic Half-Bessel Beams

    NASA Astrophysics Data System (ADS)

    Li, Yixiang; Qiu, Chunyin; Xu, Shengjun; Ke, Manzhu; Liu, Zhengyou

    2015-08-01

    Conventional microparticle transports by light or sound are realized along a straight line. Recently, this limit has been overcome in optics as the growing up of the self-accelerating Airy beams, which are featured by many peculiar properties, e.g., bending propagation, diffraction-free and self-healing. However, the bending angles of Airy beams are rather small since they are only paraxial solutions of the two-dimensional (2D) Helmholtz equation. Here we propose a novel micromanipulation by using acoustic Half-Bessel beams, which are strict solutions of the 2D Helmholtz equation. Compared with that achieved by Airy beams, the bending angle of the particle trajectory attained here is much steeper (exceeding 90o). The large-angle bending transport of microparticles, which is robust to complex scattering environment, enables a wide range of applications from the colloidal to biological sciences.

  7. Theoretical Study of Large-Angle Bending Transport of Microparticles by 2D Acoustic Half-Bessel Beams

    PubMed Central

    Li, Yixiang; Qiu, Chunyin; Xu, Shengjun; Ke, Manzhu; Liu, Zhengyou

    2015-01-01

    Conventional microparticle transports by light or sound are realized along a straight line. Recently, this limit has been overcome in optics as the growing up of the self-accelerating Airy beams, which are featured by many peculiar properties, e.g., bending propagation, diffraction-free and self-healing. However, the bending angles of Airy beams are rather small since they are only paraxial solutions of the two-dimensional (2D) Helmholtz equation. Here we propose a novel micromanipulation by using acoustic Half-Bessel beams, which are strict solutions of the 2D Helmholtz equation. Compared with that achieved by Airy beams, the bending angle of the particle trajectory attained here is much steeper (exceeding 90o). The large-angle bending transport of microparticles, which is robust to complex scattering environment, enables a wide range of applications from the colloidal to biological sciences. PMID:26279478

  8. 2D ACAR momentum density study of the nature of the positron surface state on Al(100)

    SciTech Connect

    Berko, S.; Canter, K.F.; Lynn, K.G.; Mills, A.P.; Roellig, L.O.; West, R.N.

    1985-01-01

    The two-dimensional angular correlation of the 2..gamma.. annihilation radiation (2D ACAR) has been measured from an Al(100) surface bombarded by 200-eV positrons. After removing the contribution of fast para-positronium annihilation, the spectrum from positrons annihilating at the surface exhibits a nearly isotropic conical shape with a (7.1 +- 0.5) mrad FWHM. 5 refs., 6 figs.

  9. 2D Electrides as Promising Anode Materials for Na-Ion Batteries from First-Principles Study.

    PubMed

    Hu, Junping; Xu, Bo; Yang, Shengyuan A; Guan, Shan; Ouyang, Chuying; Yao, Yugui

    2015-11-04

    Searching for suitable anodes with good performance is a key challenge for rechargeable Na-ion batteries (NIBs). Using the first-principles method, we predict that 2D nitrogen electride materials can be served as anode materials for NIBs. Particularly, we show that Ca2N meets almost all the requirements of a good NIB anode. Each formula unit of a monolayer Ca2N sheet can absorb up to four Na atoms, corresponding to a theoretical specific capacity of 1138 mAh·g(-1). The metallic character for both pristine Ca2N and its Na intercalated state NaxCa2N ensures good electronic conduction. Na diffusion along the 2D monolayer plane can be very fast even at room temperature, with a Na migration energy barrier as small as 0.084 eV. These properties are key to the excellent rate performance of an anode material. The average open-circuit voltage is calculated to be 0.18 V vs Na/Na(+) for the chemical stoichiometry of Na2Ca2N and 0.09 V for Na4Ca2N. The relatively low average open-circuit voltage is beneficial to the overall voltage of the cell. In addition, the 2D monolayers have very small lattice change upon Na intercalation, which ensures a good cycling stability. All these results demonstrate that the Ca2N monolayer could be an excellent anode material for NIBs.

  10. A Numerical Study of Feathering Instability

    NASA Astrophysics Data System (ADS)

    Lee, Wing-Kit; Wang, Hsiang-Hsu

    2016-06-01

    The stability of a spiral shock of self-gravitating, magnetized interstellar medium is studied by performing two-dimensional numerical simulations of a local patch of tight-winding spiral arm. As previously suggested by the linear studies, two types of instabilities are identified, namely, wiggle instability and feathering instability. The former instability occurs in the hydrodynamics limit and results in short wavelength perturbations. On the other hand, the feathering instability requires both self-gravitating and magnetic fields and results in wider structures.

  11. In vivo kinematic study of the tarsal joints complex based on fluoroscopic 3D-2D registration technique.

    PubMed

    Chen Wang, M D; Geng, Xiang; Wang, Shaobai; Xin Ma, M D; Xu Wang, M D; Jiazhang Huang, M D; Chao Zhang, M D; Li Chen, M S; Yang, Junsheng; Wang, Kan

    2016-09-01

    The tarsal bones articulate with each other and demonstrate complicated kinematic characteristics. The in vivo motions of these tarsal joints during normal gait are still unclear. Seven healthy subjects were recruited and fourteen feet in total were tested in the current study. Three dimensional models of the tarsal bones were first created using CT scanning. Corresponding local 3D coordinate systems of each tarsal bone was subsequently established for 6DOF motion decompositions. The fluoroscopy system captured the lateral fluoroscopic images of the targeted tarsal region whilst the subject was walking. Seven key pose images during the stance phase were selected and 3D to 2D bone model registrations were performed on each image to determine joint positions. The 6DOF motions of each tarsal joint during gait were then obtained by connecting these positions together. The TNJ (talo-navicular joint) exhibited the largest ROMs (range of motion) on all rotational directions with 7.39±2.75°of dorsi/plantarflexion, 21.12±4.68°of inversion/eversion, and 16.11±4.44°of internal/external rotation. From heel strike to midstance, the TNJ, STJ (subtalar joint), and CCJ (calcaneao-cuboid joint) were associated with 5.97°, 5.04°, and 3.93°of dorsiflexion; 15.46°, 8.21°, and 5.82°of eversion; and 9.75°, 7.6°, and 4.99°of external rotation, respectively. Likewise, from midstance to heel off, the TNJ, STJ, and CCJ were associated with 6.39, 6.19°, and 4.47°of plantarflexion; 18.57°, 11.86°, and 6.32°of inversion and 13.95°, 9.66°, and 7.58°of internal rotation, respectively. In conclusion, among the tarsal joints, the TNJ exhibited the greatest rotational mobility. Synchronous and homodromous rotational motions were detected for TNJ, STJ, and CCJ during the stance phase.

  12. CYP2D6 function moderates the pharmacokinetics and pharmacodynamics of 3,4-methylene-dioxymethamphetamine in a controlled study in healthy individuals

    PubMed Central

    Schmid, Yasmin; Vizeli, Patrick; Hysek, Cédric M.; Prestin, Katharina; Meyer zu Schwabedissen, Henriette E.

    2016-01-01

    The role of genetic polymorphisms in cytochrome (CYP) 2D6 involved in the metabolism of 3,4-methylene-dioxymethamphetamine (MDMA, ecstasy) is unclear. Effects of genetic variants in CYP2D6 on the pharmacokinetics and pharmacodynamic effects of MDMA were characterized in 139 healthy individuals (70 men, 69 women) in a pooled analysis of eight double-blind, placebo-controlled crossover studies. In CYP2D6 poor metabolizers, the maximum concentrations (Cmax) of MDMA and its active metabolite 3,4-methylene-dioxyamphetamine were +15 and +50% higher, respectively, compared with extensive metabolizers and the Cmax of the inactive metabolite 4-hydroxy-3-methoxymethamphetamine was 50–70% lower. Blood pressure and subjective drug effects increased more rapidly after MDMA administration in poor metabolizers than in extensive metabolizers. In conclusion, the disposition of MDMA and its effects in humans are altered by polymorphic CYP2D6 activity, but the effects are small because of the autoinhibition of CYP2D6. PMID:27253829

  13. Engineered bone culture in a perfusion bioreactor: a 2D computational study of stationary mass and momentum transport.

    PubMed

    Pierre, J; Oddou, C

    2007-12-01

    Successful bone cell culture in large implants still is a challenge to biologists and requires a strict control of the physicochemical and mechanical environments. This study analyses from the transport phenomena viewpoint the limiting factors of a perfusion bioreactor for bone cell culture within fibrous and porous large implants (2.5 cm in length, a few cubic centimetres in volume, 250 microm in fibre diameter with approximately 60% porosity). A two-dimensional mathematical model, based upon stationary mass and momentum transport in these implants is proposed and numerically solved. Cell oxygen consumption, in accordance theoretically with the Michaelis-Menten law, generates non linearity in the boundary conditions of the convection diffusion equation. Numerical solutions are obtained with a commercial code (Femlab 3.1; Comsol AB, Stockholm, Sweden). Moreover, based on the simplification of transport equations, a simple formula is given for estimating the length of the oxygen penetration within the implant. Results show that within a few hours of culture process and for a perfusion velocity of the order of 10(-4) m s(-1), the local oxygen concentration is everywhere sufficiently high to ensure a suitable cell metabolism. But shear stresses induced by the fluid flow with such a perfusion velocity are found to be locally too large (higher than 10(-3) Pa). Suitable shear stresses are obtained by decreasing the velocity at the inlet to around 2 x 10(-5) m s(-1). But consequently hypoxic regions (low oxygen concentrations) appear at the downstream part of the implant. Thus, it is suggested here that in the determination of the perfusion flow rate within a large implant, a compromise between oxygen supply and shear stress effects must be found in order to obtain a successful cell culture.

  14. 2D heterodyne-detected sum frequency generation study on the ultrafast vibrational dynamics of H{sub 2}O and HOD water at charged interfaces

    SciTech Connect

    Inoue, Ken-ichi; Singh, Prashant C.; Nihonyanagi, Satoshi; Tahara, Tahei; Yamaguchi, Shoichi

    2015-06-07

    Two-dimensional heterodyne-detected vibrational sum-frequency generation (2D HD-VSFG) spectroscopy is applied to study the ultrafast vibrational dynamics of water at positively charged aqueous interfaces, and 2D HD-VSFG spectra of cetyltrimethylammonium bromide (CTAB)/water interfaces in the whole hydrogen-bonded OH stretch region (3000 cm{sup −1} ≤ ω{sub pump} ≤ 3600 cm{sup −1}) are measured. 2D HD-VSFG spectrum of the CTAB/isotopically diluted water (HOD-D{sub 2}O) interface exhibits a diagonally elongated bleaching lobe immediately after excitation, which becomes round with a time constant of ∼0.3 ps due to spectral diffusion. In contrast, 2D HD-VSFG spectrum of the CTAB/H{sub 2}O interface at 0.0 ps clearly shows two diagonal peaks and their cross peaks in the bleaching region, corresponding to the double peaks observed at 3230 cm{sup −1} and 3420 cm{sup −1} in the steady-state HD-VSFG spectrum. Horizontal slices of the 2D spectrum show that the relative intensity of the two peaks of the bleaching at the CTAB/H{sub 2}O interface gradually change with the change of the pump frequency. We simulate the pump-frequency dependence of the bleaching feature using a model that takes account of the Fermi resonance and inhomogeneity of the OH stretch vibration, and the simulated spectra reproduce the essential features of the 2D HD-VSFG spectra of the CTAB/H{sub 2}O interface. The present study demonstrates that heterodyne detection of the time-resolved VSFG is critically important for studying the ultrafast dynamics of water interfaces and for unveiling the underlying mechanism.

  15. Optoelectronics with 2D semiconductors

    NASA Astrophysics Data System (ADS)

    Mueller, Thomas

    2015-03-01

    Two-dimensional (2D) atomic crystals, such as graphene and layered transition-metal dichalcogenides, are currently receiving a lot of attention for applications in electronics and optoelectronics. In this talk, I will review our research activities on electrically driven light emission, photovoltaic energy conversion and photodetection in 2D semiconductors. In particular, WSe2 monolayer p-n junctions formed by electrostatic doping using a pair of split gate electrodes, type-II heterojunctions based on MoS2/WSe2 and MoS2/phosphorene van der Waals stacks, 2D multi-junction solar cells, and 3D/2D semiconductor interfaces will be presented. Upon optical illumination, conversion of light into electrical energy occurs in these devices. If an electrical current is driven, efficient electroluminescence is obtained. I will present measurements of the electrical characteristics, the optical properties, and the gate voltage dependence of the device response. In the second part of my talk, I will discuss photoconductivity studies of MoS2 field-effect transistors. We identify photovoltaic and photoconductive effects, which both show strong photoconductive gain. A model will be presented that reproduces our experimental findings, such as the dependence on optical power and gate voltage. We envision that the efficient photon conversion and light emission, combined with the advantages of 2D semiconductors, such as flexibility, high mechanical stability and low costs of production, could lead to new optoelectronic technologies.

  16. Numerical Study of Tip Vortex Flows

    NASA Technical Reports Server (NTRS)

    Dacles-Mariani, Jennifer; Hafez, Mohamed

    1998-01-01

    This paper presents an overview and summary of the many different research work related to tip vortex flows and wake/trailing vortices as applied to practical engineering problems. As a literature survey paper, it outlines relevant analytical, theoretical, experimental and computational study found in literature. It also discusses in brief some of the fundamental aspects of the physics and its complexities. An appendix is also included. The topics included in this paper are: 1) Analytical Vortices; 2) Experimental Studies; 3) Computational Studies; 4) Wake Vortex Control and Management; 5) Wake Modeling; 6) High-Lift Systems; 7) Issues in Numerical Studies; 8) Instabilities; 9) Related Topics; 10) Visualization Tools for Vertical Flows; 11) Further Work Needed; 12) Acknowledgements; 13) References; and 14) Appendix.

  17. A Numerical Climate Observing Network Design Study

    NASA Technical Reports Server (NTRS)

    Stammer, Detlef

    2003-01-01

    This project was concerned with three related questions of an optimal design of a climate observing system: 1. The spatial sampling characteristics required from an ARGO system. 2. The degree to which surface observations from ARGO can be used to calibrate and test satellite remote sensing observations of sea surface salinity (SSS) as it is anticipated now. 3. The more general design of an climate observing system as it is required in the near future for CLIVAR in the Atlantic. An important question in implementing an observing system is that of the sampling density required to observe climate-related variations in the ocean. For that purpose this project was concerned with the sampling requirements for the ARGO float system, but investigated also other elements of a climate observing system. As part of this project we studied the horizontal and vertical sampling characteristics of a global ARGO system which is required to make it fully complementary to altimeter data with the goal to capture climate related variations on large spatial scales (less thanAttachment: 1000 km). We addressed this question in the framework of a numerical model study in the North Atlantic with an 1/6 horizontal resolution. The advantage of a numerical design study is the knowledge of the full model state. Sampled by a synthetic float array, model results will therefore allow to test and improve existing deployment strategies with the goal to make the system as optimal and cost-efficient as possible. Attachment: "Optimal observations for variational data assimilation".

  18. Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies

    SciTech Connect

    Lei Ran; Chai Xiaochuan; Mei Hongxin; Zhang Hanhui; Chen Yiping; Sun Yanqiong

    2010-07-15

    Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H{sub 2}L{sup 1}(HL{sup 1}){sub 2}(H{sub 2}O){sub 2}].2H{sub 2}O 1, [Ni{sub 2}(4,4'-bipy)(L{sup 2})(OH)(H{sub 2}O){sub 2}].3H{sub 2}O 2, Mn(phen){sub 2}(H{sub 2}L{sup 1}){sub 2}3 and Mn(phen)(HL{sup 2}) 4 (H{sub 3}L{sup 1}=p-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, H{sub 3}L{sup 2}=m-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni{sub 4} cluster units are connected by pairs of H{sub 3}L{sup 2} ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R{sub 2}{sup 2}(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H{sub 3}L{sup 2} ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H{sub 3}L{sup 1} and H{sub 3}L{sup 2} ligands in the compounds more efficiently. - Graphical abstract: A series of divalent transition metal carboxyarylphosphonate compounds were synthesized under hydrothermal conditions. The figure displays 2D sheet structure with large windows in compound 2.

  19. Two-dimensional (2D) Chemiluminescence (CL) correlation spectroscopy for studying thermal oxidation of isotactic polypropylene (iPP)

    NASA Astrophysics Data System (ADS)

    Shinzawa, Hideyuki; Hagihara, Hideaki; Suda, Hiroyuki; Mizukado, Jyunji

    2016-11-01

    Application of the two-dimensional (2D) correlation spectroscopy is extended to Chemiluminescence (CL) spectra of isotactic polypropylene (iPP) under thermally induced oxidation. Upon heating, the polymer chains of the iPP undergoes scissoring and fragmentation to develop several intermediates. While different chemical species provides the emission at different wavelength regions, entire feature of the time-dependent CL spectra of the iPP samples were complicated by the presence of overlapped contributions from singlet oxygen (1O2) and carbonyl species within sample. 2D correlation spectra showed notable enhancement of the spectral resolution to provide penetrating insight into the thermodynamics of the polymer system. For example, the, oxidation induce scissoring and fragmentation of the polymer chains to develop the carbonyl group. Further reaction results in the consumption of the carbonyl species and subsequent production of different 1O2 species each developed in different manner. Consequently, key information on the thermal oxidation can be extracted in a surprisingly simple manner without any analytical expression for the actual response curves of spectral intensity signals during the reaction.

  20. 2D dynamical arrest transition in a mixed nanoparticle-phospholipid layer studied in real and momentum spaces

    NASA Astrophysics Data System (ADS)

    Orsi, Davide; Guzmán, Eduardo; Liggieri, Libero; Ravera, Francesca; Ruta, Beatrice; Chushkin, Yuriy; Rimoldi, Tiziano; Cristofolini, Luigi

    2015-12-01

    We investigate the interfacial dynamics of a 2D self-organized mixed layer made of silica nanoparticles interacting with phospholipid (DPPC) monolayers at the air/water interface. This system has biological relevance, allowing investigation of toxicological effects of nanoparticles on model membranes and lung surfactants. It might also provide bio-inspired technological solutions, exploiting the self-organization of DPPC to produce a non-trivial 2D structuration of nanoparticles. The characterization of interfacial dynamics yields information on the effects of NPs on the mechanical properties, important to improve performances of systems such as colloidosomes, foams, creams. For this, we combine micro-tracking in real-space with measurement in momentum-space via x-ray photon-correlation spectroscopy and Digital Fourier Microscopy. Using these complementary techniques, we extend the spatial range of investigation beyond the limits of each one. We find a dynamical transition from Brownian diffusion to an arrested state driven by compression, characterized by intermittent rearrangements, compatible with a repulsive glass phase. The rearrangement and relaxation of the monolayer structure results dramatically hindered by the presence of NPs, which is relevant to explain some the mechanical features observed for the dynamic surface pressure response of these systems and which can be relevant for the respiratory physiology and for future drug-delivery composite systems.

  1. 2D dynamical arrest transition in a mixed nanoparticle-phospholipid layer studied in real and momentum spaces

    PubMed Central

    Orsi, Davide; Guzmán, Eduardo; Liggieri, Libero; Ravera, Francesca; Ruta, Beatrice; Chushkin, Yuriy; Rimoldi, Tiziano; Cristofolini, Luigi

    2015-01-01

    We investigate the interfacial dynamics of a 2D self-organized mixed layer made of silica nanoparticles interacting with phospholipid (DPPC) monolayers at the air/water interface. This system has biological relevance, allowing investigation of toxicological effects of nanoparticles on model membranes and lung surfactants. It might also provide bio-inspired technological solutions, exploiting the self-organization of DPPC to produce a non-trivial 2D structuration of nanoparticles. The characterization of interfacial dynamics yields information on the effects of NPs on the mechanical properties, important to improve performances of systems such as colloidosomes, foams, creams. For this, we combine micro-tracking in real-space with measurement in momentum-space via x-ray photon-correlation spectroscopy and Digital Fourier Microscopy. Using these complementary techniques, we extend the spatial range of investigation beyond the limits of each one. We find a dynamical transition from Brownian diffusion to an arrested state driven by compression, characterized by intermittent rearrangements, compatible with a repulsive glass phase. The rearrangement and relaxation of the monolayer structure results dramatically hindered by the presence of NPs, which is relevant to explain some the mechanical features observed for the dynamic surface pressure response of these systems and which can be relevant for the respiratory physiology and for future drug-delivery composite systems. PMID:26658474

  2. Case study: Beauty and the Beast 3D: benefits of 3D viewing for 2D to 3D conversion

    NASA Astrophysics Data System (ADS)

    Handy Turner, Tara

    2010-02-01

    From the earliest stages of the Beauty and the Beast 3D conversion project, the advantages of accurate desk-side 3D viewing was evident. While designing and testing the 2D to 3D conversion process, the engineering team at Walt Disney Animation Studios proposed a 3D viewing configuration that not only allowed artists to "compose" stereoscopic 3D but also improved efficiency by allowing artists to instantly detect which image features were essential to the stereoscopic appeal of a shot and which features had minimal or even negative impact. At a time when few commercial 3D monitors were available and few software packages provided 3D desk-side output, the team designed their own prototype devices and collaborated with vendors to create a "3D composing" workstation. This paper outlines the display technologies explored, final choices made for Beauty and the Beast 3D, wish-lists for future development and a few rules of thumb for composing compelling 2D to 3D conversions.

  3. Numerical aerodynamic simulation facility feasibility study

    NASA Technical Reports Server (NTRS)

    1979-01-01

    There were three major issues examined in the feasibility study. First, the ability of the proposed system architecture to support the anticipated workload was evaluated. Second, the throughput of the computational engine (the flow model processor) was studied using real application programs. Third, the availability reliability, and maintainability of the system were modeled. The evaluations were based on the baseline systems. The results show that the implementation of the Numerical Aerodynamic Simulation Facility, in the form considered, would indeed be a feasible project with an acceptable level of risk. The technology required (both hardware and software) either already exists or, in the case of a few parts, is expected to be announced this year. Facets of the work described include the hardware configuration, software, user language, and fault tolerance.

  4. Realistic and efficient 2D crack simulation

    NASA Astrophysics Data System (ADS)

    Yadegar, Jacob; Liu, Xiaoqing; Singh, Abhishek

    2010-04-01

    Although numerical algorithms for 2D crack simulation have been studied in Modeling and Simulation (M&S) and computer graphics for decades, realism and computational efficiency are still major challenges. In this paper, we introduce a high-fidelity, scalable, adaptive and efficient/runtime 2D crack/fracture simulation system by applying the mathematically elegant Peano-Cesaro triangular meshing/remeshing technique to model the generation of shards/fragments. The recursive fractal sweep associated with the Peano-Cesaro triangulation provides efficient local multi-resolution refinement to any level-of-detail. The generated binary decomposition tree also provides efficient neighbor retrieval mechanism used for mesh element splitting and merging with minimal memory requirements essential for realistic 2D fragment formation. Upon load impact/contact/penetration, a number of factors including impact angle, impact energy, and material properties are all taken into account to produce the criteria of crack initialization, propagation, and termination leading to realistic fractal-like rubble/fragments formation. The aforementioned parameters are used as variables of probabilistic models of cracks/shards formation, making the proposed solution highly adaptive by allowing machine learning mechanisms learn the optimal values for the variables/parameters based on prior benchmark data generated by off-line physics based simulation solutions that produce accurate fractures/shards though at highly non-real time paste. Crack/fracture simulation has been conducted on various load impacts with different initial locations at various impulse scales. The simulation results demonstrate that the proposed system has the capability to realistically and efficiently simulate 2D crack phenomena (such as window shattering and shards generation) with diverse potentials in military and civil M&S applications such as training and mission planning.

  5. Comparison of DP3 Signals Evoked by Comfortable 3D Images and 2D Images — an Event-Related Potential Study using an Oddball Task

    NASA Astrophysics Data System (ADS)

    Ye, Peng; Wu, Xiang; Gao, Dingguo; Liang, Haowen; Wang, Jiahui; Deng, Shaozhi; Xu, Ningsheng; She, Juncong; Chen, Jun

    2017-02-01

    The horizontal binocular disparity is a critical factor for the visual fatigue induced by watching stereoscopic TVs. Stereoscopic images that possess the disparity within the ‘comfort zones’ and remain still in the depth direction are considered comfortable to the viewers as 2D images. However, the difference in brain activities between processing such comfortable stereoscopic images and 2D images is still less studied. The DP3 (differential P3) signal refers to an event-related potential (ERP) component indicating attentional processes, which is typically evoked by odd target stimuli among standard stimuli in an oddball task. The present study found that the DP3 signal elicited by the comfortable 3D images exhibits the delayed peak latency and enhanced peak amplitude over the anterior and central scalp regions compared to the 2D images. The finding suggests that compared to the processing of the 2D images, more attentional resources are involved in the processing of the stereoscopic images even though they are subjectively comfortable.

  6. Comparison of DP3 Signals Evoked by Comfortable 3D Images and 2D Images - an Event-Related Potential Study using an Oddball Task.

    PubMed

    Ye, Peng; Wu, Xiang; Gao, Dingguo; Liang, Haowen; Wang, Jiahui; Deng, Shaozhi; Xu, Ningsheng; She, Juncong; Chen, Jun

    2017-02-22

    The horizontal binocular disparity is a critical factor for the visual fatigue induced by watching stereoscopic TVs. Stereoscopic images that possess the disparity within the 'comfort zones' and remain still in the depth direction are considered comfortable to the viewers as 2D images. However, the difference in brain activities between processing such comfortable stereoscopic images and 2D images is still less studied. The DP3 (differential P3) signal refers to an event-related potential (ERP) component indicating attentional processes, which is typically evoked by odd target stimuli among standard stimuli in an oddball task. The present study found that the DP3 signal elicited by the comfortable 3D images exhibits the delayed peak latency and enhanced peak amplitude over the anterior and central scalp regions compared to the 2D images. The finding suggests that compared to the processing of the 2D images, more attentional resources are involved in the processing of the stereoscopic images even though they are subjectively comfortable.

  7. Comparison of DP3 Signals Evoked by Comfortable 3D Images and 2D Images — an Event-Related Potential Study using an Oddball Task

    PubMed Central

    Ye, Peng; Wu, Xiang; Gao, Dingguo; Liang, Haowen; Wang, Jiahui; Deng, Shaozhi; Xu, Ningsheng; She, Juncong; Chen, Jun

    2017-01-01

    The horizontal binocular disparity is a critical factor for the visual fatigue induced by watching stereoscopic TVs. Stereoscopic images that possess the disparity within the ‘comfort zones’ and remain still in the depth direction are considered comfortable to the viewers as 2D images. However, the difference in brain activities between processing such comfortable stereoscopic images and 2D images is still less studied. The DP3 (differential P3) signal refers to an event-related potential (ERP) component indicating attentional processes, which is typically evoked by odd target stimuli among standard stimuli in an oddball task. The present study found that the DP3 signal elicited by the comfortable 3D images exhibits the delayed peak latency and enhanced peak amplitude over the anterior and central scalp regions compared to the 2D images. The finding suggests that compared to the processing of the 2D images, more attentional resources are involved in the processing of the stereoscopic images even though they are subjectively comfortable. PMID:28225044

  8. Self-Assembly and Dynamics of Organic 2D Molecular Sieves: Ab Initio and Molecular Dynamics Studies

    NASA Astrophysics Data System (ADS)

    St. John, Alexander; Wexler, Carlos

    2015-03-01

    Spontaneous molecular self-assembly is a promising route for bottom-up manufacturing of two-dimensional (2D) nanostructures with specific topologies on atomically flat surfaces. Of particular interest is the possibility of selective lock-and-key interaction of guest molecules inside cavities formed by complex self-assembled host structures. Our host structure is a monolayer consisting of interdigitated 1,3,5-tristyrylbenzene substituted by alkoxy peripheral chains containing n = 6, 8, 10, 12, or 14 carbon atoms (TSB3,5-C n) deposited on a highly ordered pyrolytic graphite (HOPG) surface. Using ab initio methods from quantum chemistry and molecular dynamics simulations, we construct and analyze the structure and functionality of the TSB3,5-C n monolayer as a molecular sieve. Supported by ACS-PRF 52696-ND5.

  9. Experimental and theoretical study of rotationally inelastic diffraction of H2(D2) from methyl-terminated Si(111)

    NASA Astrophysics Data System (ADS)

    Nihill, Kevin J.; Hund, Zachary M.; Muzas, Alberto; Díaz, Cristina; del Cueto, Marcos; Frankcombe, Terry; Plymale, Noah T.; Lewis, Nathan S.; Martín, Fernando; Sibener, S. J.

    2016-08-01

    Fundamental details concerning the interaction between H2 and CH3-Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H2 and D2 from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H2 compared to the strong RID features observed for D2 over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuation of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH3-Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H2 and D2 have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H2 (D2) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H2(D2)/CH3-Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H2 with a hybrid organic-semiconductor interface, which can be used to further investigate energy flow in technologically relevant systems.

  10. Vertical 2D Heterostructures

    NASA Astrophysics Data System (ADS)

    Lotsch, Bettina V.

    2015-07-01

    Graphene's legacy has become an integral part of today's condensed matter science and has equipped a whole generation of scientists with an armory of concepts and techniques that open up new perspectives for the postgraphene area. In particular, the judicious combination of 2D building blocks into vertical heterostructures has recently been identified as a promising route to rationally engineer complex multilayer systems and artificial solids with intriguing properties. The present review highlights recent developments in the rapidly emerging field of 2D nanoarchitectonics from a materials chemistry perspective, with a focus on the types of heterostructures available, their assembly strategies, and their emerging properties. This overview is intended to bridge the gap between two major—yet largely disjunct—developments in 2D heterostructures, which are firmly rooted in solid-state chemistry or physics. Although the underlying types of heterostructures differ with respect to their dimensions, layer alignment, and interfacial quality, there is common ground, and future synergies between the various assembly strategies are to be expected.

  11. Strong Coupling Unquenched QED. II --- Numerical Study ---

    NASA Astrophysics Data System (ADS)

    Kondo, K.; Nakatani, H.

    1992-10-01

    Dynamical chiral-symmetry-breaking in massless QED with N fermion species is studied through the numerical solution of the coupled Schwinger-Dyson (SD) equation. We have taken into account the fermion loop effect (at the 1-loop level) in the SD equation for the photon propagator through the vacuum polarization function Π (k2), with and without the standard approximation: Π((p-q)2) ≍ Π(max(p2, q2)). We have found that the scaling law is unchanged by this approximation and that, irrespective of the fermion flavor N, the dynamical fermion mass and chiral order parameter obey the same mean-field type scaling, while the quenched planar QED without the vacuum polarization (N = 0 limit) obeys the Miransky scaling with the essential singularity.

  12. In situ XPS study of Pd(1 1 1) oxidation. Part 1: 2D oxide formation in 10 -3 mbar O 2

    NASA Astrophysics Data System (ADS)

    Zemlyanov, Dmitry; Aszalos-Kiss, Balazs; Kleimenov, Evgueni; Teschner, Detre; Zafeiratos, Spiros; Hävecker, Michael; Knop-Gericke, Axel; Schlögl, Robert; Gabasch, Harald; Unterberger, Werner; Hayek, Konrad; Klötzer, Bernhard

    2006-03-01

    The oxidation of the Pd(1 1 1) surface was studied by in situ XPS during heating and cooling in 3 × 10 -3 mbar O 2. A number of adsorbed/dissolved oxygen species were identified by in situ XPS, such as the two dimensional surface oxide (Pd 5O 4), the supersaturated O ads layer, dissolved oxygen and the (√{67}×√{67})R 12.2° surface structure. Exposure of the Pd(1 1 1) single crystal to 3 × 10 -3 mbar O 2 at 425 K led to formation of the 2D oxide phase, which was in equilibrium with a supersaturated O ads layer. The supersaturated O ads layer was characterized by the O 1s core level peak at 530.37 eV. The 2D oxide, Pd 5O 4, was characterized by two O 1s components at 528.92 eV and 529.52 eV and by two oxygen-induced Pd 3d 5/2 components at 335.5 eV and 336.24 eV. During heating in 3 × 10 -3 mbar O 2 the supersaturated O ads layer disappeared whereas the fraction of the surface covered with the 2D oxide grew. The surface was completely covered with the 2D oxide between 600 K and 655 K. Depth profiling by photon energy variation confirmed the surface nature of the 2D oxide. The 2D oxide decomposed completely above 717 K. Diffusion of oxygen in the palladium bulk occurred at these temperatures. A substantial oxygen signal assigned to the dissolved species was detected even at 923 K. The dissolved oxygen was characterised by the O 1s core level peak at 528.98 eV. The "bulk" nature of the dissolved oxygen species was verified by depth profiling. During cooling in 3 × 10 -3 mbar O 2, the oxidised Pd 2+ species appeared at 788 K whereas the 2D oxide decomposed at 717 K during heating. The surface oxidised states exhibited an inverse hysteresis. The oxidised palladium state observed during cooling was assigned to a new oxide phase, probably the (√{67}×√{67})R 12.2° structure.

  13. SU-E-T-639: A Study On the Response of 2D Array Detector for VMAT Delivery for a Period of Two Years

    SciTech Connect

    Kumar, Syam; George, Anu

    2014-06-15

    Purpose: To evaluate the 2D array for radiation response for a period of 2 years. Methods: 45 VMAT plans already treated and quality assured before 2 years, 1.5 years and 1 year were selected for the study. Quality assurances of the plans were done using 2D array combined with Octavius phantom. Verification plans were recalculated without changing any parameters in Eclipse 10.0 TPS using the AAA algorithm. Response of 2D array to the plans treated before 2 years, 1.5 years and 1 year where evaluated. The results were analyzed using the Gamma analysis method with the standard gamma passing criteria of 3mm distance to agreement (DTA) and 3% dose difference (DD). Results: All the plans evaluated passed the gamma analysis with a percentage greater than 95, except for three cases. Higher gamma passing criteria where observed for all the analyzed plans, when analysis done before 2 years, 1.5 years and 1 year. The standard deviation of ± 1.38, ± 1.40,± 0.97 where observed between the plans when verification plans did before 2 years, 1.5 years and 1 year respectively. Same set of plans shows a standard deviation of ± 0.70, ± 1.36, and ± 1.18, when analysis done recently. A significance difference in response of the array when analysis done recently for the verification plans treated and quality assured before 2 years.This indicates a slightly reduced response of 2D array towards radiation response as the array gets older. Conclusion: It is found that 2D array shows a reduced response against radiation detection over a period of years. An onsite calibration of the instrument is recommended before the measurements. A dose correction factor can be applied if necessary to the results if the radiation response and efficiency of the array is very poor.

  14. Experimental and numerical study of dual bell nozzle flow

    NASA Astrophysics Data System (ADS)

    Génin, C.; Stark, R.; Haidn, O.; Quering, K.; Frey, M.

    2013-06-01

    The dual bell is a nozzle concept for altitude adaption. The flow separates at the contour inflection in sea level mode in a mainly controlled and symmetrical way, reducing the side load generation and increasing the thrust. The transition to altitude mode is reached when the flow suddenly attaches to the extension for an improved altitude thrust. The conditions of this transition and its evolution are the key for the study of dual bell nozzles. For a better understanding of the flow behavior, a two-dimensional (2D) subscale dual bell model has been designed and tested at the German Aerospace Center (DLR). The tests were divided into two campaigns and performed under cold and hot flow conditions. The evolution of the shock system at the inflection during the transition was observed using schlieren optics. The planar nozzle was tested under various conditions in pressure and temperature. Both test campaigns have been recalculated in cooperation with Astrium. Numerical and experimental results are presented.

  15. Numerical Study of Suspension Plasma Spraying

    NASA Astrophysics Data System (ADS)

    Farrokhpanah, Amirsaman; Coyle, Thomas W.; Mostaghimi, Javad

    2017-01-01

    A numerical study of suspension plasma spraying is presented in the current work. The liquid suspension jet is replaced with a train of droplets containing the suspension particles injected into the plasma flow. Atomization, evaporation, and melting of different components are considered for droplets and particles as they travel toward the substrate. Effect of different parameters on particle conditions during flight and upon impact on the substrate is investigated. Initially, influence of the torch operating conditions such as inlet flow rate and power is studied. Additionally, effect of injector parameters like injection location, flow rate, and angle is examined. The model used in the current study takes high-temperature gradients and non-continuum effects into account. Moreover, the important effect of change in physical properties of suspension droplets as a result of evaporation is included in the model. These mainly include variations in heat transfer properties and viscosity. Utilizing this improved model, several test cases have been considered to better evaluate the effect of different parameters on the quality of particles during flight and upon impact on the substrate.

  16. Communication: Effect of accidental mode degeneracy on Raman intensity in 2D materials: Hybrid functional study of bilayer phosphorene.

    PubMed

    Sun, Yi-Yang; Zhang, Shengbai

    2016-07-14

    Bulk black phosphorus has two optical phonon modes labeled as Ag (2) and B2u, respectively, that are nearly degenerate in frequency. However, density functional theory calculations using local or semi-local functionals cannot reproduce this degeneracy. Here, we propose a hybrid functional approach aided by van der Waals (vdW) force fields, which can accurately describe the lattice dynamic and electronic properties of both bulk and few-layer black phosphorus (phosphorene). Using this approach we show that in bilayer phosphorene, the two Raman modes derived from the B2u and Ag (2) modes could exhibit strong resonance as a result of the accidental degeneracy so that both modes could be observed in Raman experiment. Without the mode degeneracy, however, the Raman intensity of the B2u-derived mode would be too weak to be observed. We further show that the accidental degeneracy is correlated to the applied strain, which enables Raman spectroscopy to be a powerful tool for characterizing built-in strains in 2D materials, e.g., due to the interaction with substrates, which has emerged as an important issue in vdW epitaxy.

  17. Communication: Effect of accidental mode degeneracy on Raman intensity in 2D materials: Hybrid functional study of bilayer phosphorene

    NASA Astrophysics Data System (ADS)

    Sun, Yi-Yang; Zhang, Shengbai

    2016-07-01

    Bulk black phosphorus has two optical phonon modes labeled as Ag2 and B2u, respectively, that are nearly degenerate in frequency. However, density functional theory calculations using local or semi-local functionals cannot reproduce this degeneracy. Here, we propose a hybrid functional approach aided by van der Waals (vdW) force fields, which can accurately describe the lattice dynamic and electronic properties of both bulk and few-layer black phosphorus (phosphorene). Using this approach we show that in bilayer phosphorene, the two Raman modes derived from the B2u and Ag2 modes could exhibit strong resonance as a result of the accidental degeneracy so that both modes could be observed in Raman experiment. Without the mode degeneracy, however, the Raman intensity of the B2u-derived mode would be too weak to be observed. We further show that the accidental degeneracy is correlated to the applied strain, which enables Raman spectroscopy to be a powerful tool for characterizing built-in strains in 2D materials, e.g., due to the interaction with substrates, which has emerged as an important issue in vdW epitaxy.

  18. Pre-stack depth migration for improved imaging under seafloor canyons: 2D case study of Browse Basin, Australia*

    NASA Astrophysics Data System (ADS)

    Debenham, Helen 124Westlake, Shane

    2014-06-01

    In the Browse Basin, as in many areas of the world, complex seafloor topography can cause problems with seismic imaging. This is related to complex ray paths, and sharp lateral changes in velocity. This paper compares ways in which 2D Kirchhoff imaging can be improved below seafloor canyons, using both time and depth domain processing. In the time domain, to improve on standard pre-stack time migration (PSTM) we apply removable seafloor static time shifts in order to reduce the push down effect under seafloor canyons before migration. This allows for better event continuity in the seismic imaging. However this approach does not fully solve the problem, still giving sub-optimal imaging, leaving amplitude shadows and structural distortion. Only depth domain processing with a migration algorithm that honours the paths of the seismic energy as well as a detailed velocity model can provide improved imaging under these seafloor canyons, and give confidence in the structural components of the exploration targets in this area. We therefore performed depth velocity model building followed by pre-stack depth migration (PSDM), the result of which provided a step change improvement in the imaging, and provided new insights into the area.

  19. Computational study of the rovibrational spectra of CO2-C2H2 and CO2-C2D2

    NASA Astrophysics Data System (ADS)

    Donoghue, Geoff; Wang, Xiao-Gang; Dawes, Richard; Carrington, Tucker

    2016-12-01

    An intermolecular potential energy surface and rovibrational transition frequencies are computed for CO2-C2H2. An interpolating moving least squares method is used to fit ab initio points at the explicitly correlated coupled-cluster level. The rovibrational Schrödinger equation is solved with a symmetry-adapted Lanczos algorithm. The computed disrotatory and torsion vibrational levels of both CO2-C2H2 and CO2-C2D2 differ from those obtained by experimentalists by less than 0.5 cm-1. CO2-C2H2 has two equivalent minima with the monomers perpendicular to the inter-monomer axis. In contrast to many other Van der Waals dimers there is no disrotatory path that connects the minima. The tunnelling path follows the torsional coordinate over a high barrier and the splitting is therefore tiny. Using vibrational parent analysis we are able to fit and thus obtain rotational constants and centrifugal distortion constants. Calculated rotational constants differ from their experimental counterparts by less than 0.001 cm-1.

  20. Design and performance of a cryogenic scanning tunneling microscope in high magnetic field for 2D layered materials study

    NASA Astrophysics Data System (ADS)

    Chuang, Tien-Ming; Chung, Pei-Fang; Guan, Syu-You; Yu, Shan-An; Liu, Che-An; Hsu, Chia-Sheng; Su, Chih-Chuan; Sankar, Raman; Chou, Fang-Cheng

    2015-03-01

    We will describe the design and performance of a cryogenic scanning tunneling microscope (STM) system in a high magnetic field. A Pan-type STM is mounted on a homemade low vibration 4He pot refrigerator, which can be operated in continuous flow mode at T ~ 1.6K and in a magnetic field of up to 9 Tesla. A cleavage device at T =4.2K stage is used to cleave the 2D layered materials before inserting into STM as well as functioning as the radiation shield. The liquid helium boil rate of 4.6 liters per day is achieved due to our careful design, which allows the measurement at base temperature up to 10 days. We will demonstrate its capability of measuring atomically registered energy resolved spectroscopic maps in both real space and momentum space by our recent results on Rashba BiTeI. This work is supported by Ministry of Science and Technology, Taiwan and Kenda Foundation, Taiwan.

  1. Liquid Disordered-Liquid Ordered Phase Coexistence in Lipid/Cholesterol Mixtures: A Deuterium 2D NMR Exchange Study.

    PubMed

    Schmidt, Miranda L; Davis, James H

    2017-02-28

    Model membranes composed of two types of long chain phospholipids, one unsaturated and one saturated, along with cholesterol can exhibit two coexisting fluid phases (liquid disordered ([Formula: see text]) and liquid ordered ([Formula: see text])) at various temperatures and compositions. Here we used 1D and 2D (2)H NMR to compare the behavior of multilamellar dispersions, magnetically oriented bicelles, and mechanically aligned bilayers on glass plates, all of which contain the same proportions of dipalmitoleoylphosphatidylcholine (DPoPC), dimyristoylphosphatidylcholine (DMPC), and cholesterol. We found that multilamellar dispersions and bilayers aligned on glass plates behave very similarly. These samples were close to a critical composition and exhibit exchange of the lipids between the two fluid phases at temperatures near the [Formula: see text] to [Formula: see text]-[Formula: see text] phase boundary. On the other hand, when a short chain lipid is added to the ternary long chain lipid/cholesterol mixture to form bicelles, the phase behavior is changed significantly and the [Formula: see text] phase occurs at a higher than expected temperature. In addition, there was no evidence of exchange of lipids between the [Formula: see text] and [Formula: see text] phases or critical fluctuations at the temperature where the bulk of the sample enters the two-phase region for these bicelles. It appears that the addition of the short chain lipid results in these samples no longer being near a critical composition.

  2. 2D semiconductor optoelectronics

    NASA Astrophysics Data System (ADS)

    Novoselov, Kostya

    The advent of graphene and related 2D materials has recently led to a new technology: heterostructures based on these atomically thin crystals. The paradigm proved itself extremely versatile and led to rapid demonstration of tunnelling diodes with negative differential resistance, tunnelling transistors, photovoltaic devices, etc. By taking the complexity and functionality of such van der Waals heterostructures to the next level we introduce quantum wells engineered with one atomic plane precision. Light emission from such quantum wells, quantum dots and polaritonic effects will be discussed.

  3. A numerical study of thin flame representations

    SciTech Connect

    Rotman, D.A.; Pindera, M.Z.

    1989-08-11

    In studies of reacting flows, the flame may be viewed as a moving discontinuity endowed with certain properties; notably, it acts as a source of velocity and vorticity. Asymptotic analysis shows this to be justified provided that the flame curvature is small compared to the flame thickness. Such an approach is useful when one is interested in the hydrodynamic effects of the flame on the surrounding flowfield. In numerical models of this kind it is customary to treat the discontinuity as a collection of discrete velocity blobs. In this study, we show that the velocities associated with such a representation can be very non-smooth, particularly very near to the flame surface. As an alternative, we propose the use of a finite line source as the basic flame element. Comparisons of the two flame representations are made for several simple test cases as well as for a flame propagating through an enclosure forming the tulip shape. The results show that the use of line sources eliminates spurious fluctuations in nearfield velocities thus allowing for a more accurate calculation of flame propagation and flame-flowfield interactions. 7 refs., 15 figs.

  4. A study on correlation between 2D and 3D gamma evaluation metrics in patient-specific quality assurance for VMAT

    SciTech Connect

    Rajasekaran, Dhanabalan Jeevanandam, Prakash; Sukumar, Prabakar; Ranganathan, Arulpandiyan; Johnjothi, Samdevakumar; Nagarajan, Vivekanandan

    2014-01-01

    In this study, we investigated the correlation between 2-dimensional (2D) and 3D gamma analysis using the new PTW OCTAVIUS 4D system for various parameters. For this study, we selected 150 clinically approved volumetric-modulated arc therapy (VMAT) plans of head and neck (50), thoracic (esophagus) (50), and pelvic (cervix) (50) sites. Individual verification plans were created and delivered to the OCTAVIUS 4D phantom. Measured and calculated dose distributions were compared using the 2D and 3D gamma analysis by global (maximum), local and selected (isocenter) dose methods. The average gamma passing rate for 2D global gamma analysis in coronal and sagittal plane was 94.81% ± 2.12% and 95.19% ± 1.76%, respectively, for commonly used 3-mm/3% criteria with 10% low-dose threshold. Correspondingly, for the same criteria, the average gamma passing rate for 3D planar global gamma analysis was 95.90% ± 1.57% and 95.61% ± 1.65%. The volumetric 3D gamma passing rate for 3-mm/3% (10% low-dose threshold) global gamma was 96.49% ± 1.49%. Applying stringent gamma criteria resulted in higher differences between 2D planar and 3D planar gamma analysis across all the global, local, and selected dose gamma evaluation methods. The average gamma passing rate for volumetric 3D gamma analysis was 1.49%, 1.36%, and 2.16% higher when compared with 2D planar analyses (coronal and sagittal combined average) for 3 mm/3% global, local, and selected dose gamma analysis, respectively. On the basis of the wide range of analysis and correlation study, we conclude that there is no assured correlation or notable pattern that could provide relation between planar 2D and volumetric 3D gamma analysis. Owing to higher passing rates, higher action limits can be set while performing 3D quality assurance. Site-wise action limits may be considered for patient-specific QA in VMAT.

  5. Comparison of the urinary protein patterns of athletes by 2D-gel electrophoresis and mass spectrometry-a pilot study.

    PubMed

    Kohler, Maxie; Franz, Stefan; Regeniter, Axel; Ikonen, Anna; Walpurgis, Katja; Thomas, Andreas; Schänzer, Wilhelm; Thevis, Mario

    2009-08-01

    Urinary proteins and exercise-induced proteinuria have been the subject of much research. Proteinuria has been studied in depth after different running and cycling intensities and durations and the different mechanisms of glomerular filtration and tubular dysfunction have been elucidated. The present study was carried out to compare urinary protein profiles of athletes in different sport categories (endurance sport, team sport, strength sport). Doping-control urine samples obtained from in-competition testing and specimens derived from a control group were analysed by means of two-dimensional polyacrylamide gel electrophoresis (2D-PAGE) and significantly deviating protein spots were enzymatically hydrolysed and identified by nanoflow liquid chromatography-orbitrap mass spectrometry. Endurance sport samples demonstrated a significant increase of mainly medium-sized urinary proteins such as transferrin, zinc alpha-2-glycoprotein and prostaglandin H2 D-isomerase (30-80 kDa) in 2D-PAGE experiments. Proteinuria was evident in all samples after protein concentration measurements (protein/creatinine > 15 mg/mmol). Alterations were also observed in strength sport samples, which showed an increase of low molecular weight proteins or protein fragments (<30 kDa, e.g., transthyretin, CD 59 antigen or an N-terminal transferrin fragment). In contrast, the concentration measurements did not imply proteinuria but total protein excretion was in a normal range. The study provides a first overview on 2D maps of the urinary proteome after different types of exercise. Future studies may lead to the establishment of urinary protein maps that are typical for a certain type of sport or even an individual athlete. These maps may complement the blood passport of athletes in doping control.

  6. Numerical Study of a Convective Turbulence Encounter

    NASA Technical Reports Server (NTRS)

    Proctor, Fred H.; Hamilton, David W.; Bowles, Roland L.

    2002-01-01

    A numerical simulation of a convective turbulence event is investigated and compared with observational data. The specific case was encountered during one of NASA's flight tests and was characterized by severe turbulence. The event was associated with overshooting convective turrets that contained low to moderate radar reflectivity. Model comparisons with observations are quite favorable. Turbulence hazard metrics are proposed and applied to the numerical data set. Issues such as adequate grid size are examined.

  7. Dynamic pulse buckling of cylindrical shells under axial impact: A benchmark study of 2D and 3D finite element calculations

    SciTech Connect

    Hoffman, E.L.; Ammerman, D.J.

    1995-04-01

    A series of tests investigating dynamic pulse buckling of a cylindrical shell under axial impact is compared to several 2D and 3D finite element simulations of the event. The purpose of the work is to investigate the performance of various analysis codes and element types on a problem which is applicable to radioactive material transport packages, and ultimately to develop a benchmark problem to qualify finite element analysis codes for the transport package design industry. During the pulse buckling tests, a buckle formed at each end of the cylinder, and one of the two buckles became unstable and collapsed. Numerical simulations of the test were performed using PRONTO, a Sandia developed transient dynamics analysis code, and ABAQUS/Explicit with both shell and continuum elements. The calculations are compared to the tests with respect to deformed shape and impact load history.

  8. Numerical studies of solar chromospheric jets

    NASA Astrophysics Data System (ADS)

    Iijima, Haruhisa

    2016-03-01

    The solar chromospheric jet is one of the most characteristic structures near the solar surface. The quantitative understanding of chromospheric jets is of substantial importance for not only the partially ionized phenomena in the chromosphere but also the energy input and dissipation processes in the corona. In this dissertation, the formation and dynamics of chromospheric jets are investigated using the radiation magnetohydrodynamic simulations. We newly develop a numerical code for the radiation magnetohydrodynamic simulations of the comprehensive modeling of solar atmosphere. Because the solar chromosphere is highly nonlinear, magnetic pressure dominated, and turbulent, a robust and high-resolution numerical scheme is required. In Chapter 2, we propose a new algorithm for the simulation of magnetohydrodynamics. Through the test problems and accuracy analyses, the proposed scheme is proved to satisfy the requirements. In Chapter 3, the effect of the non-local radiation energy transport, Spitzer-type thermal conduction, latent heat of partial ionization and molecule formation, and gravity are implemented to the magnetohydrodynamic code. The numerical schemes for the radiation transport and thermal conduction is carefully chosen in a view of the efficiency and compatibility with the parallel computation. Based on the developed radiation magnetohydrodynamic code, the formation and dynamics of chromospheric jets are investigated. In Chapter 4, we investigate the dependence of chromospheric jets on the coronal temperature in the two-dimensional simulations. Various scale of chromospheric jets with the parabolic trajectory are found with the maximum height of 2-8 Mm, lifetime of 2-7 min, maximum upward velocity of 10- 50 km/s, and deceleration of 100-350 m/s2. We find that chromospheric jets are more elongated under the cool corona and shorter under the hot corona. We also find that the pressure gradient force caused by the periodic shock waves accelerates some of the

  9. Numerical study of a microscopic artificial swimmer

    NASA Astrophysics Data System (ADS)

    Gauger, Erik; Stark, Holger

    2006-08-01

    We present a detailed numerical study of a microscopic artificial swimmer realized recently by Dreyfus in experiments [Dreyfus , Nature 437, 862 (2005)]. It consists of an elastic filament composed of superparamagnetic particles that are linked together by DNA strands. Attached to a load particle, the resulting swimmer is actuated by an oscillating external magnetic field so that it performs a nonreciprocal motion in order to move forward. We model the superparamagnetic filament by a bead-spring configuration that resists bending like a rigid rod and whose beads experience friction with the surrounding fluid and hydrodynamic interactions with each other. We show that, aside from finite-size effects, its dynamics is governed by the dimensionless sperm number, the magnitude of the magnetic field, and the angular amplitude of the field’s oscillating direction. Then we study the mean velocity and the efficiency of the swimmer as a function of these parameters and the size of the load particle. In particular, we clarify that the real velocity of the swimmer is influenced by two main factors, namely the shape of the beating filament (determined by the sperm number and the magnetic-field strength) and the oscillation frequency. Furthermore, the load size influences the performance of the swimmer and has to be chosen as a compromise between the largest swimming velocity and the best efficiency. Finally, we demonstrate that the direction of the swimming velocity changes in a symmetry-breaking transition when the angular amplitude of the field’s oscillating direction is increased, in agreement with experiments.

  10. A Structure-Activity Relationship Study of Imidazole-5-Carboxylic Acid Derivatives as Angiotensin II Receptor Antagonists Combining 2D and 3D QSAR Methods.

    PubMed

    Sharma, Mukesh C

    2016-03-01

    Two-dimensional (2D) and three-dimensional (3D) quantitative structure-activity relationship (QSAR) studies were performed for correlating the chemical composition of imidazole-5-carboxylic acid analogs and their angiotensin II [Formula: see text] receptor antagonist activity using partial least squares and k-nearest neighbor, respectively. For comparing the three different feature selection methods of 2D-QSAR, k-nearest neighbor models were used in conjunction with simulated annealing (SA), genetic algorithm and stepwise coupled with partial least square (PLS) showed variation in biological activity. The statistically significant best 2D-QSAR model having good predictive ability with statistical values of [Formula: see text] and [Formula: see text] was developed by SA-partial least square with the descriptors like [Formula: see text]count, 5Chain count, SdsCHE-index, and H-acceptor count, showing that increase in the values of these descriptors is beneficial to the activity. The 3D-QSAR studies were performed using the SA-PLS. A leave-one-out cross-validated correlation coefficient [Formula: see text] and predicate activity [Formula: see text] = 0.7226 were obtained. The information rendered by QSAR models may lead to a better understanding of structural requirements of substituted imidazole-5-carboxylic acid derivatives and also aid in designing novel potent antihypertensive molecules.

  11. Functionalization and fragmentation during ambient organic aerosol aging: application of the 2-D volatility basis set to field studies

    NASA Astrophysics Data System (ADS)

    Murphy, B. N.; Donahue, N. M.; Fountoukis, C.; Dall'Osto, M.; O'Dowd, C.; Kiendler-Scharr, A.; Pandis, S. N.

    2012-04-01

    Multigenerational oxidation chemistry of atmospheric organic compounds and its effects on aerosol loadings and chemical composition is investigated by implementing the Two-Dimensional Volatility Basis Set (2-D-VBS) in a Lagrangian host chemical transport model. Three model formulations were chosen to explore the complex interactions between functionalization and fragmentation processes during gas-phase oxidation of organic compounds by the hydroxyl radical. The base case model employs a conservative transformation by assuming a reduction of one order of magnitude in effective saturation concentration and an increase of oxygen content by one or two oxygen atoms per oxidation generation. A second scheme simulates functionalization in more detail using group contribution theory to estimate the effects of oxygen addition to the carbon backbone on the compound volatility. Finally, a fragmentation scheme is added to the detailed functionalization scheme to create a functionalization-fragmentation parameterization. Two condensed-phase chemistry pathways are also implemented as additional sensitivity tests to simulate (1) heterogeneous oxidation via OH uptake to the particle-phase and (2) aqueous-phase chemistry of glyoxal and methylglyoxal. The model is applied to summer and winter periods at three sites where observations of organic aerosol (OA) mass and O:C were obtained during the European Integrated Project on Aerosol Cloud Climate and Air Quality Interactions (EUCAARI) campaigns. The base case model reproduces observed mass concentrations and O:C well, with fractional errors (FE) lower than 55% and 25%, respectively. The detailed functionalization scheme tends to overpredict OA concentrations, especially in the summertime, and also underpredicts O:C by approximately a factor of 2. The detailed functionalization model with fragmentation agrees well with the observations for OA concentration, but still underpredicts O:C. Both heterogeneous oxidation and aqueous

  12. Functionalization and fragmentation during ambient organic aerosol aging: application of the 2-D volatility basis set to field studies

    NASA Astrophysics Data System (ADS)

    Murphy, B. N.; Donahue, N. M.; Fountoukis, C.; Dall'Osto, M.; O'Dowd, C.; Kiendler-Scharr, A.; Pandis, S. N.

    2012-11-01

    Multigenerational oxidation chemistry of atmospheric organic compounds and its effects on aerosol loadings and chemical composition is investigated by implementing the Two-Dimensional Volatility Basis Set (2-D-VBS) in a Lagrangian host chemical transport model. Three model formulations were chosen to explore the complex interactions between functionalization and fragmentation processes during gas-phase oxidation of organic compounds by the hydroxyl radical. The base case model employs a conservative transformation by assuming a reduction of one order of magnitude in effective saturation concentration and an increase of oxygen content by one or two oxygen atoms per oxidation generation. A second scheme simulates functionalization in more detail using group contribution theory to estimate the effects of oxygen addition to the carbon backbone on the compound volatility. Finally, a fragmentation scheme is added to the detailed functionalization scheme to create a functionalization-fragmentation parameterization. Two condensed-phase chemistry pathways are also implemented as additional sensitivity tests to simulate (1) heterogeneous oxidation via OH uptake to the particle-phase and (2) aqueous-phase chemistry of glyoxal and methylglyoxal. The model is applied to summer and winter periods at three sites where observations of organic aerosol (OA) mass and O:C were obtained during the European Integrated Project on Aerosol Cloud Climate and Air Quality Interactions (EUCAARI) campaigns. The base case model reproduces observed mass concentrations and O:C well, with fractional errors (FE) lower than 55% and 25%, respectively. The detailed functionalization scheme tends to overpredict OA concentrations, especially in the summertime, and also underpredicts O:C by approximately a factor of 2. The detailed functionalization model with fragmentation agrees well with the observations for OA concentration, but still underpredicts O:C. Both heterogeneous oxidation and aqueous

  13. Effects of various types of molecular dynamics on 1D and 2D (2)H NMR studied by random walk simulations

    PubMed

    Vogel; Rossler

    2000-11-01

    By carrying out random walk simulations we systematically study the effects of various types of complex molecular dynamics on (2)H NMR experiments in solids. More precisely, we calculate one-dimensional (1D) (2)H NMR spectra and the results of two dimensional (2D) (2)H NMR experiments in time domain, taking into account isotropic as well as highly restricted motions which involve rotational jumps about different finite angles. Although the dynamical models are chosen to mimic the primary and secondary relaxation in supercooled liquids and glasses, we do not intend to describe experimental results quantitatively but rather to show general effects appearing for complex reorientations. We carefully investigate whether 2D (2)H NMR in time domain, which was originally designed to measure correlation times of ultraslow motions (tau >/= 1 ms), can be used to obtain shorter tau, too. It is demonstrated that an extension of the time window to tau >/= 10 &mgr;s is possible when dealing with exponential relaxation, but that it will fail if there is a distribution of correlation times G(lgtau). Vice versa, we show that 1D (2)H NMR spectra, usually recorded to look at dynamics with tau in the microsecond regime, are also applicable for studying ultraslow motions provided that the loss of correlation is achieved step by step. Therefore, it is useful to carry out 1D and 2D NMR experiments simultaneously in order to reveal the mechanism of complex molecular motions. In addition, we demonstrate that highly restricted dynamics can be clearly observed in 1D spectra and in 2D NMR in time domain if long solid-echo delays and large evolution times are applied, respectively. Finally, unexpected observations are described which appear in the latter experiment when considering very broad distributions G(lgtau). Because of these effects, time scale and geometry of a considered motion cannot be extracted from a straightforward analysis of experimental results. Copyright 2000 Academic Press.

  14. Numerical study of signal propagation in corrugated coaxial cables

    DOE PAGES

    Li, Jichun; Machorro, Eric A.; Shields, Sidney

    2017-01-01

    Our article focuses on high-fidelity modeling of signal propagation in corrugated coaxial cables. Taking advantage of the axisymmetry, the authors reduce the 3-D problem to a 2-D problem by solving time-dependent Maxwell's equations in cylindrical coordinates.They then develop a nodal discontinuous Galerkin method for solving their model equations. We prove stability and error analysis for the semi-discrete scheme. We we present our numerical results, we demonstrate that our algorithm not only converges as our theoretical analysis predicts, but it is also very effective in solving a variety of signal propagation problems in practical corrugated coaxial cables.

  15. 2D/3D switchable displays

    NASA Astrophysics Data System (ADS)

    Dekker, T.; de Zwart, S. T.; Willemsen, O. H.; Hiddink, M. G. H.; IJzerman, W. L.

    2006-02-01

    A prerequisite for a wide market acceptance of 3D displays is the ability to switch between 3D and full resolution 2D. In this paper we present a robust and cost effective concept for an auto-stereoscopic switchable 2D/3D display. The display is based on an LCD panel, equipped with switchable LC-filled lenticular lenses. We will discuss 3D image quality, with the focus on display uniformity. We show that slanting the lenticulars in combination with a good lens design can minimize non-uniformities in our 20" 2D/3D monitors. Furthermore, we introduce fractional viewing systems as a very robust concept to further improve uniformity in the case slanting the lenticulars and optimizing the lens design are not sufficient. We will discuss measurements and numerical simulations of the key optical characteristics of this display. Finally, we discuss 2D image quality, the switching characteristics and the residual lens effect.

  16. 2D quantum gravity from quantum entanglement.

    PubMed

    Gliozzi, F

    2011-01-21

    In quantum systems with many degrees of freedom the replica method is a useful tool to study the entanglement of arbitrary spatial regions. We apply it in a way that allows them to backreact. As a consequence, they become dynamical subsystems whose position, form, and extension are determined by their interaction with the whole system. We analyze, in particular, quantum spin chains described at criticality by a conformal field theory. Its coupling to the Gibbs' ensemble of all possible subsystems is relevant and drives the system into a new fixed point which is argued to be that of the 2D quantum gravity coupled to this system. Numerical experiments on the critical Ising model show that the new critical exponents agree with those predicted by the formula of Knizhnik, Polyakov, and Zamolodchikov.

  17. Investigations on 2D and 3D topography and Z-scan studies of zinc chloride co-doped L-lysinium succinate

    NASA Astrophysics Data System (ADS)

    Kalaivani, D.; Jayaraman, D.; Joseph, V.

    2015-10-01

    Semi-organic NLO single crystals of zinc chloride doped L-lysinium succinate (ZnCl2-Lls) were grown using a slow evaporation method at ambient temperature. The structure and cell parameters of the grown crystal were determined by single crystal XRD and powder XRD studies. The 2-D surface morphology and elemental compositions were analyzed through SEM and EDAX studies. The 3-D surface topology was discussed using AFM images. Z-scan technique was used for measuring the third order nonlinear optical coefficients of the grown crystal.

  18. Transition to chaos in an open unforced 2D flow

    NASA Technical Reports Server (NTRS)

    Pulliam, Thomas H.; Vastano, John A.

    1993-01-01

    The present numerical study of unsteady, low Reynolds number flow past a 2D airfoil attempts to ascertain the bifurcation sequence leading from simple periodic to complex aperiodic flow with rising Reynolds number, as well as to characterize the degree of chaos present in the aperiodic flow and assess the role of numerics in the modification and control of the observed bifurcation scenario. The ARC2D Navier-Stokes code is used in an unsteady time-accurate mode for most of these computations. The system undergoes a period-doubling bifurcation to chaos as the Reynolds number is increased from 800 to 1600; its chaotic attractors are characterized by estimates of the fractal dimension and partial Liapunov exponent spectra.

  19. Annotated Bibliography of EDGE2D Use

    SciTech Connect

    J.D. Strachan and G. Corrigan

    2005-06-24

    This annotated bibliography is intended to help EDGE2D users, and particularly new users, find existing published literature that has used EDGE2D. Our idea is that a person can find existing studies which may relate to his intended use, as well as gain ideas about other possible applications by scanning the attached tables.

  20. Numerical Study of Multigrid Methods with Various Smoothers for the Elliptical Grid Generation Equations

    NASA Technical Reports Server (NTRS)

    Golik, W. L.

    1996-01-01

    A robust solver for the elliptic grid generation equations is sought via a numerical study. The system of PDEs is discretized with finite differences, and multigrid methods are applied to the resulting nonlinear algebraic equations. Multigrid iterations are compared with respect to the robustness and efficiency. Different smoothers are tried to improve the convergence of iterations. The methods are applied to four 2D grid generation problems over a wide range of grid distortions. The results of the study help to select smoothing schemes and the overall multigrid procedures for elliptic grid generation.

  1. SU-E-T-82: A Study On Enhanced Dynamic Wedge (EDW) Dosimetry Using 2D Seven29 Ion Chamber Array Detector

    SciTech Connect

    Kumar, Syam; Aparna

    2015-06-15

    Purpose: To study the dosimetric properties of Enhanced Dynamic Wedge (EDW) using PTW Seven29 ion chamber array Methods: PTW Seven29 ion chamber array and Solid Water phantoms for different depths were used for the study. The study was carried out in Varian Clinac ix with photon energies, 6MV & 15MV. Primarily the solid water phantoms with the 2D array were scanned using a CT scanner (GE Optima 580) at different depths. These scanned images were used for EDW planning in an Eclipse treatment planning system (version 10). Planning was done for different wedge angles and for different depths for 6MV & 15MV. A dose of 100 CGy was delivered in each cases. For each delivery, calculated the Monitoring Unit (MU) required. Same set-up was created before delivering the plans in Varian Clinac-ix. For each clinically relevant depth and for different wedge angles, the same MU was delivered as calculated. Different wedged dose distributions where reconstructed from the measured 2D array data using the in-house developed excel program. Results: It is observed that the shoulder like region in the profile which reduces as depth increases. For the same depth and energy, the percentage difference between planned and measured dose is lesser than 3%. For smaller wedge angles, the percentage difference is found to be greater than 3% for the largest wedge angle. Standard deviation between measured doses at shoulder region for planned and measured profiles is 0.08 and 0.02 respectively. Standard deviations between planned and measured wedge factors for different depths (2.5cm, 5cm, 10cm, and 15cm) are (0.0021, 0.0007, 0.0050, 0.0001) for 6MV and (0.0024, 0.0191, 0.0013, 0.0005) for 15MV respectively. Conclusion: The 2D Seven29 ion chamber array is a good tool for the Enhanced Dynamic Wedge (EDW) dosimetry.

  2. Study of Positronium in Low-k Dielectric Films by means of 2D-Angular Correlation Experiments at a High-Intensity Slow-Positron Beam

    SciTech Connect

    Gessmann, T; Petkov, M P; Weber, M H; Lynn, K G; Rodbell, K P; Asoka-Kumar, P; Stoeffl, W; Howell, R H

    2001-06-20

    Depth-resolved measurements of the two-dimensional angular correlation of annihilation radiation (2D-ACAR) were performed at the high-intensity slow-positron beam of Lawrence Livermore National Laboratory. We studied the formation of positronium in thin films of methyl-silsesquioxane (MSSQ) spin-on glass containing open-volume defects in the size of voids. Samples with different average void sizes were investigated and positronium formation could be found in all cases. The width of the angular correlation related to the annihilation of parapositronium increased with the void size indicating the annihilation of non-thermalized parapositronium.

  3. Superradiance from hydrodynamic vortices: A numerical study

    SciTech Connect

    Federici, F.; Tosi, M. P.; Cherubini, C.; Succi, S.

    2006-03-15

    The scattering of sound-wave perturbations from vortex excitations in hydrodynamic systems with typical Bose-Einstein-condensate (BEC) parameters is investigated by numerical integration of the associated Klein-Gordon equation. The simulations indicate that at sufficiently high angular speeds, in the perturbative limit where back-reaction effects can be neglected, sound wave packets can extract a sizable fraction of the vortex energy through a mechanism of superradiant scattering. It is conjectured that this superradiant regime may be detectable in BEC experiments.

  4. Association of genetic variants in INS (rs689), INSR (rs1799816) and PP1G.G (rs1799999) with type 2 diabetes (T2D): a case-control study in three ethnic groups from North-West India.

    PubMed

    Sokhi, Jasmine; Sikka, Ruhi; Raina, Priyanka; Kaur, Ramandeep; Matharoo, Kawaljit; Arora, Punit; Bhanwer, Ajs

    2016-02-01

    Genetic contributions towards Type 2 diabetes (T2D) have been assessed through association studies across different world populations with inconsistencies. The majority of the T2D susceptibility loci are common across different races or populations but show ethnicity-specific differences. The pathogenesis of T2D involves genetic variants in the candidate genes. The interactions between the genes involved in insulin signaling and secretory pathways are believed to play an important role in determining an individual's susceptibility towards T2D. Therefore, the present study was initiated to examine the differences, if any, in the contribution of polymorphisms towards T2D susceptibility in the background of different ethnic specifications. The present case-control study included a total of 1216 T2D cases and healthy controls from three ethnic groups (Jat Sikhs, Banias and Brahmins) of North-West India. Polymorphisms were selected on the basis of information available in the literature for INS (rs689), INSR (rs1799816) and PP1G.G (rs1799999) in context to T2D. The genotyping was done using PCR-RFLP method. Statistical analysis was done using SPSS 16.0. The analyses revealed that INS (rs689) polymorphism conferred risk towards T2D susceptibility in all the three ethnic groups whereas INSR (rs1799816) polymorphism conferred risk towards T2D in Brahmins only and PP1G.G (rs1799999) polymorphism indicated T2D risk in Jat Sikhs only. Furthermore, interaction analyses indicated the cumulative role of three genetic variants in modulating T2D susceptibility in the three ethnic groups. In conclusion, our results substantiated the evidences for the role of ethnicity in differential susceptibility to T2D in the background of same genetic variants.

  5. The study of flexible emission and photoconductivity in 2D layered InSe toward an applicable 1000-nm light emitter and absorber

    NASA Astrophysics Data System (ADS)

    Chuang, Ching-An; Lin, Min-Han; Yeh, Bo-Xian; Chu, Yun-Ju; Ho, Ching-Hwa

    2017-03-01

    Multilayer InSe with a thickness above 20 nm is a direct semiconductor proposed for solar-energy conversion and to use in flexible optoelectronics. We demonstrate herein a superior 1000-nm light emission and absorption capability of two-dimensional (2D) multilayer InSe studied by photoluminescence (PL) and photoconductivity (PC) experiments. Layered crystals of InSe have been grown by chemical vapor transport method using ICl3 as a transport agent. Polarized Raman measurement confirmed 2 H ɛ crystalline phase of the as-grown crystals. For 2D flexible applications, the bending photoluminescence (BPL) result of InSe ( t ≈ 30 nm) showed an enhancement in light intensity with respect to that of the flat PL condition. It might be because the cylinder surface area under bending (convex) is larger than that of the flat surface under the same laser excitation condition. Besides, the luminescence efficiency of BPL is also enhanced owing to the widening of emission solid angle of each Se-In-In-Se unit in the InSe as compared to that of the flat PL condition. The emission wavelength is about 1000 nm at room temperature. Furthermore, for the PC study, photoresponsivity spectrum of a Ag-InSe-Ag multilayer photoconductor demonstrates a prominent peak absorption at 1.1 1.3 eV, matching well with the direct-free-exciton energy of the multilayer InSe. All the experimental results demonstrate that 2D multilayer InSe is a promising 1000 nm light emitter and absorber available for potential optoelectronics applications.

  6. 2-D and 3-D Difraction Stake Migration Method Using GPR: A Case Study in Canakkale (Turkey)

    NASA Astrophysics Data System (ADS)

    Çaǧlar Yalçiner, Cahit

    In this study, ground-penetrating radar (GPR) method was applied for Clandestine cemetery detection in Ηanakkale (Dardanelles), west Turkey. Investigated area was a historical area which was used as tent hospitals during the World War I. The study area was also used to bury soldiers who died during the treatment process in tent hospitals. Because of agricultural activity grave stones were used by local people, thus, most of the graves were lost in the field. 45 GPR profiles were applied with a GPR system (RAMAC) equipped with 250 MHz central frequency shielded antenna. After main processing steps on raw data, migration was applied to improve section resolution and develop the realism of the subsurface images. Although the GPR in results before migration the anomalous zones are visible, after migration the results became much more visible both in the profiles and 3D illustrations, thus, migrated GPR data were preferred to locate the buried martyrdoms.

  7. Numerical and Experimental Study of Transport Phenomena in Directional Solidification of Succinonitrile

    NASA Technical Reports Server (NTRS)

    de Groh, Henry C., III; Yao, Minwu

    1994-01-01

    A numerical and experimental study of the growth of succinonitrile (SCN) using a horizontal Bridginan furnace and transparent glass ampoule was conducted. Two experiments were considered: one in which the temperature profile was fixed relative to the ampoule (no-growth case); and a second in which the thermal profile was translated at a constant rate (steady growth case). Measured temperature profiles on the outer surface of the ampoule were used as thermal boundary conditions for the modelling. The apparent heat capacity formulation combined with the variable viscositymeth was used to model the phase change in SeN. Both 2-D and 3-D models were studied and numerical solutions obtained using the commercial finite element code, FIDAP1. Comparison of the numerical results to experimental data showed excellent agreement. The complex 3-D shallow-cavity flow in the melt, differences between 2-D and 3-D models, effects of natural convection on the thermal gradient and shape of the solid/liquid interface, and the sensitivity of simulations to specific assumptions, are also discussed.

  8. 2D, 3D-QSAR and docking studies of 1,2,3-thiadiazole thioacetanilides analogues as potent HIV-1 non-nucleoside reverse transcriptase inhibitors

    PubMed Central

    2012-01-01

    Background The discovery of clinically relevant inhibitors of HIV-RT for antiviral therapy has proven to be a challenging task. To identify novel and potent HIV-RT inhibitors, the quantitative structure–activity relationship (QSAR) approach became very useful and largely widespread technique forligand-based drug design. Methods We perform the two- and three-dimensional (2D and 3D) QSAR studies of a series of 1,2,3-thiadiazole thioacetanilides analogues to elucidate the structural properties required for HIV-RT inhibitory activity. Results The 2D-QSAR studies were performed using multiple linear regression method, giving r2 = 0.97 and q2 = 0.94. The 3D-QSAR studies were performed using the stepwise variable selection k-nearest neighbor molecular field analysis approach; a leave-one-out cross-validated correlation coefficient q2 = 0.89 and a non-cross-validated correlation coefficient r2 = 0.97 were obtained. Docking analysis suggests that the new series have comparable binding affinity with the standard compounds. Conclusions This approach showed that hydrophobic and electrostatic effects dominantly determine binding affinities which will further useful for development of new NNRTIs. PMID:22691718

  9. 2-D and Mott Transition Studies on Metal (M) Doped PrBa2Cu3O7

    NASA Astrophysics Data System (ADS)

    Chen, T.-P.; Wu, K.; Li, Q.; Chen, B.; Kandel, H.; Chen, J. C.; Mohammed, M.; Al-Hilo, A.

    2013-11-01

    We doped PrBa2Cu3O7 (PBCO) using various metals (M) to obtain PrBa2[Cu(1- x)M x ]O7 (PBCMO) ceramic samples and epitaxial thin films. As suggested in the above chemical composition, these samples were made by replacing some of the Cu ions in PBCO with its metallic neighbors (M) such as Al, Co, Fe, Ga, Ni, and Zn at four different doping concentrations ( x)—0.05, 0.10, 0.15, and 0.20. The epitaxial films were made by performing laser ablation on a ceramic disk target. We also present the results of our transport and Raman studies on the aforementioned PBCMO samples. From our Raman data, we were able to identify the doping sites used. Combined with the transport data, this enabled us to explain the abnormal increase in the electrical resistivity of our doped samples. Our transport property studies on PBCMO samples and the YBCO/PBCMO multilayer allowed us to deduce the superconducting coupling length, the finite-size effect, and the two-dimensional phase transition of YBCO.

  10. ZORNOC: a 1 1/2-D tokamak data analysis code for studying noncircular high beta plasmas

    SciTech Connect

    Zurro, B.; Wieland, R.M.; Murakami, M.; Swain, D.W.

    1980-03-01

    A new tokamak data analysis code, ZORNOC, was developed to study noncircular, high beta plasmas in the Impurity Study Experiment (ISX-B). These plasmas exhibit significant flux surface shifts and elongation in both ohmically heated and beam-heated discharges. The MHD equilibrium flux surface geometry is determined by solving the Grad-Shafranov equation based on: (1) the shape of the outermost flux surface, deduced from the magnetic loop probes; (2) a pressure profile, deduced by means of Thomson scattering data (electrons), charge exchange data (ions), and a Fokker-Planck model (fast ions); and (3) a safety factor profile, determined from the experimental data using a simple model (Z/sub eff/ = const) that is self-consistently altered while the plasma equilibrium is iterated. For beam-heated discharches the beam deposition profile is determined by means of a Monte Carlo scheme and the slowing down of the fast ions by means of an analytical solution of the Fokker-Planck equation. The code also carries out an electron power balance and calculates various confinement parameters. The code is described and examples of its operation are given.

  11. SU-E-T-83: A Study On Evaluating the Directional Dependency of 2D Seven 29 Ion Chamber Array Clinically with Different IMRT Plans

    SciTech Connect

    Kumar, Syam; Aswathi, C.P.

    2015-06-15

    Purpose: To evaluate the directional dependency of 2D seven 29 ion chamber array clinically with different IMRT plans. Methods: 25 patients already treated with IMRT plans were selected for the study. Verification plans were created for each treatment plan in eclipse 10 treatment planning system using the AAA algorithm with the 2D array and the Octavius CT phantom. Verification plans were done 2 times for a single patient. First plan with real IMRT (plan-related approach) and second plan with zero degree gantry angle (field-related approach). Measurements were performed on a Varian Clinac-iX, linear accelerator equipped with a millennium 120 multileaf collimator. Fluence was measured for all the delivered plans and analyzed using the verisoft software. Comparison was done by selecting the fluence delivered in static gantry (zero degree gantry) versus IMRT with real gantry angles. Results: The gamma pass percentage is greater than 97 % for all IMRT delivered with zero gantry angle and between 95%–98% for real gantry angles. Dose difference between the TPS calculated and measured for IMRT delivered with zero gantry angle was found to be between (0.03 to 0.06Gy) and with real gantry angles between (0.02 to 0.05Gy). There is a significant difference between the gamma analysis between the zero degree and true angle with a significance of 0.002. Standard deviation of gamma pass percentage between the IMRT plans with zero gantry angle was 0.68 and for IMRT with true gantry angle was found to be 0.74. Conclusion: The gamma analysis for IMRT with zero degree gantry angles shows higher pass percentage than IMRT delivered with true gantry angles. Verification plans delivered with true gantry angles lower the verification accuracy when 2D array is used for measurement.

  12. Numerical Studies of Impurities in Fusion Plasmas

    DOE R&D Accomplishments Database

    Hulse, R. A.

    1982-09-01

    The coupled partial differential equations used to describe the behavior of impurity ions in magnetically confined controlled fusion plasmas require numerical solution for cases of practical interest. Computer codes developed for impurity modeling at the Princeton Plasma Physics Laboratory are used as examples of the types of codes employed for this purpose. These codes solve for the impurity ionization state densities and associated radiation rates using atomic physics appropriate for these low-density, high-temperature plasmas. The simpler codes solve local equations in zero spatial dimensions while more complex cases require codes which explicitly include transport of the impurity ions simultaneously with the atomic processes of ionization and recombination. Typical applications are discussed and computational results are presented for selected cases of interest.

  13. Unsaturated lipid bodies as a hallmark of inflammation studied by Raman 2D and 3D microscopy

    NASA Astrophysics Data System (ADS)

    Czamara, K.; Majzner, K.; Selmi, A.; Baranska, M.; Ozaki, Y.; Kaczor, A.

    2017-01-01

    Endothelial HMEC-1 cells incubated with pro-inflammatory cytokine TNF-α for 6 and 24 hours were studied as a model of inflammation using Raman imaging. Striking changes in distribution, composition and concentration of cellular lipids were observed after exposure to TNF-α compared to the control. In particular, 3D Raman imaging revealed a significant increase in the amount of lipid entities formed under inflammation. Lipid bodies were randomly distributed in the cytoplasm and two types of droplets were assembled: more saturated one, in spectral characteristics resembling phosphatidylcholine and saturated cholesteryl esters, observed also in the control, and highly unsaturated one, containing also cholesterols, being a hallmark of inflamed cells. The statistical analysis showed that the number of lipid bodies was significantly dependent on the exposure time to TNF-α. Overall, observed formation of unsaturated lipid droplets can be directly correlated with the increase in production of prostacyclins - endogenous inflammation mediators.

  14. Unsaturated lipid bodies as a hallmark of inflammation studied by Raman 2D and 3D microscopy

    PubMed Central

    Czamara, K.; Majzner, K.; Selmi, A.; Baranska, M.; Ozaki, Y.; Kaczor, A.

    2017-01-01

    Endothelial HMEC-1 cells incubated with pro-inflammatory cytokine TNF-α for 6 and 24 hours were studied as a model of inflammation using Raman imaging. Striking changes in distribution, composition and concentration of cellular lipids were observed after exposure to TNF-α compared to the control. In particular, 3D Raman imaging revealed a significant increase in the amount of lipid entities formed under inflammation. Lipid bodies were randomly distributed in the cytoplasm and two types of droplets were assembled: more saturated one, in spectral characteristics resembling phosphatidylcholine and saturated cholesteryl esters, observed also in the control, and highly unsaturated one, containing also cholesterols, being a hallmark of inflamed cells. The statistical analysis showed that the number of lipid bodies was significantly dependent on the exposure time to TNF-α. Overall, observed formation of unsaturated lipid droplets can be directly correlated with the increase in production of prostacyclins - endogenous inflammation mediators. PMID:28098251

  15. Identifying residual structure in intrinsically disordered systems: a 2D IR spectroscopic study of the GVGXPGVG peptide.

    PubMed

    Lessing, Joshua; Roy, Santanu; Reppert, Mike; Baer, Marcel; Marx, Dominik; Jansen, Thomas La Cour; Knoester, Jasper; Tokmakoff, Andrei

    2012-03-21

    The peptide amide-I vibration of a proline turn encodes information on the turn structure. In this study, FTIR, two-dimensional IR spectroscopy and molecular dynamics simulations were employed to characterize the varying turn conformations that exist in the GVGX(L)PGVG family of disordered peptides. This analysis revealed that changing the size of the side chain at the X amino acid site from Gly to Ala to Val substantially alters the conformation of the peptide. To quantify this effect, proline peak shifts and intensity changes were compared to a structure-based spectroscopic model. These simulated spectra were used to assign the population of type-II β turns, bulged turns, and irregular β turns for each peptide. Of particular interest was the Val variant commonly found in the protein elastin, which contained a 25% population of irregular β turns containing two peptide hydrogen bonds to the proline C═O.

  16. Remediation of Chlorinated Solvent Plumes Using In-Situ Air Sparging—A 2-D Laboratory Study

    PubMed Central

    Adams, Jeffrey A.; Reddy, Krishna R.; Tekola, Lue

    2011-01-01

    In-situ air sparging has evolved as an innovative technique for soil and groundwater remediation impacted with volatile organic compounds (VOCs), including chlorinated solvents. These may exist as non-aqueous phase liquid (NAPL) or dissolved in groundwater. This study assessed: (1) how air injection rate affects the mass removal of dissolved phase contamination, (2) the effect of induced groundwater flow on mass removal and air distribution during air injection, and (3) the effect of initial contaminant concentration on mass removal. Dissolved-phase chlorinated solvents can be effectively removed through the use of air sparging; however, rapid initial rates of contaminant removal are followed by a protracted period of lower removal rates, or a tailing effect. As the air flow rate increases, the rate of contaminant removal also increases, especially during the initial stages of air injection. Increased air injection rates will increase the density of air channel formation, resulting in a larger interfacial mass transfer area through which the dissolved contaminant can partition into the vapor phase. In cases of groundwater flow, increased rates of air injection lessened observed downward contaminant migration effect. The air channel network and increased air saturation reduced relative hydraulic conductivity, resulting in reduced groundwater flow and subsequent downgradient contaminant migration. Finally, when a higher initial TCE concentration was present, a slightly higher mass removal rate was observed due to higher volatilization-induced concentration gradients and subsequent diffusive flux. Once concentrations are reduced, a similar tailing effect occurs. PMID:21776228

  17. [Comparative proteomics study of different processing technology for pilose antler using iTRAQ technology coupled with 2D LC-MS].

    PubMed

    Jin, Meng-ya; Dong, Ling; Luo, Yuan-ming; Yu, Li; Mo, Mei; Hou, Cheng-bo; Li, Zhi-yuan

    2015-12-01

    This study was designed to use iTRAQ technology coupled with 2D LC-MS/MS to study the comparative proteomics of different processing technology for pilose antler. 1015 proteins were identified with 2D LC combined with MOLDI TOF/TOF mass spectrometry. Comparative analysis with Protein Pilot (Version 4.5) revealed that 87 proteins were changed (P ≤ 0.05, the ratio of > 1.50 or < 0.60 as the threshold selection of difference proteins), of which 24 were up regulated and 33 were down regulated in the traditional frying process (TFP) compared with the fresh pilose antler (P ≤ 0.05). 7 significant different proteins (P ≤ 0.001), most of these significantly changed proteins were found to be involved in calcium ion binding and ATP binding associated with human healthy. Freeze drying with protective agent (FDP) (Trehalose) can improve the content of significantly different proteins (P ≤ 0.001) including Collagen alpha-1 (XII) chain (COL12A1) and Collagen alpha-1 (II) chain (COL2A1). The significant function involves in platelets activating, maintenance of spermatogonium, and disorder expression in tumor cells. The functional annotation by Hierarchical clustering and GO (gene ontology) showed that the main molecule functions of the proteins significantly changed in these processes were involved in binding (52.7%), catalytic (25.3%), structural molecule and transporter (6.6%).

  18. PBE–DFT theoretical study of organic photovoltaic materials based on thiophene with 1D and 2D periodic boundary conditions

    SciTech Connect

    Saïl, K. Bassou, G.; Gafour, M. H.; Miloua, F.

    2015-12-15

    Conjugated organic systems such as thiophene are interesting topics in the field of organic solar cells. We theoretically investigate π-conjugated polymers constituted by n units (n = 1–11) based on the thiophene (Tn) molecule. The computations of the geometries and electronic structures of these compounds are performed using the density functional theory (DFT) at the 6–31 G(d, p) level of theory and the Perdew–Burke–Eenzerhof (PBE) formulation of the generalized gradient approximation with periodic boundary conditions (PBCs) in one (1D) and two (2D) dimensions. Moreover, the electronic properties (HOCO, LUCO, E{sub gap}, V{sub oc}, and V{sub bi}) are determined from 1D and 2D PBC to understand the effect of the number of rings in polythiophene. The absorption properties—excitation energies (E{sub ex}), the maximal absorption wavelength (λ{sub max}), oscillator strengths, and light harvesting—efficiency are studied using the time-dependent DFT method. Our studies show that changing the number of thiophene units can effectively modulate the electronic and optical properties. On the other hand, our work demonstrates the efficiency of theoretical calculation in the PBCs.

  19. Study on the Multi-phase Flow and Fluid Saturation in 2D Fractured Media by Light Transmission Technique

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Ye, S.; Wu, J.

    2013-12-01

    Immiscible two-phase flows in fractured media are encountered in many engineering processes such as recovery of oil and gas, exploitation of geothermal energy, and groundwater contamination by immiscible chemicals. A two-dimensional rough wall parallel plate fracture model was set up and light transmission method (LTM) was applied to study two-phase flow system in fractured media. The fracture model stood with up and bottom flow and no flow on other two sides. A charge-coupled device (CCD) camera was used to monitor the migration of DNAPL and gas bubbles in the fracture model. To simulate two-phase system in fracture media, air was injected into the water saturated cell (C1) through the middle of the bottom and NAPL was injected into another water saturated cell (C2) through the middle of the top of the cell. The results show LTM was an effective way in monitoring the migration of DNAPL and gas bubbles in the fracture models. Gas moved upwards quickly to the top of C1 in the way of air bubbles generated at the injection position and formed a continuous distribution. The migration of TCE was controlled by its own weight and fracture aperture. TCE migrated to large aperture firstly when moving downwards, and intruded into smaller one with accumulation of TCE. Light Intensity-Saturation Models (LISMs) were developed to estimate the gas or NAPL saturation in two-phase system. The volume amount of infiltration of gas bubbles or NAPL could be estimated from light intensities by LISMs. There were strong correlations between the added and calculated amounts of gas or TCE. It is feasible to use the light transmission method to characterize the movement and spatial distribution of gas or NAPL in fractured media.

  20. A comparative study of the diagnostic capabilities of 2D plain radiograph and 3D cone beam CT sialography

    PubMed Central

    Jadu, FM; Lam, EWN

    2013-01-01

    Objective The aim of this study was to compare the diagnostic capabilities of two-dimensional sialography with a novel three-dimensional technique using cone beam CT (CBCT). Methods 47 subjects underwent parotid or submandibular gland sialography over a 2 year period using both plain imaging and CBCT. Both image sets were anonymized and independently reviewed by three certified oral and maxillofacial radiologists blinded to the clinical data. McNemar's χ2 test was used to determine differences between the two modalities for feature visualization and interpretation. Results CBCT outperformed plain imaging with respect to visualization of the gland parenchyma (p < 0.001) and identification of sialoliths (p = 0.02). Plain imaging outperformed CBCT for the identification of strictures (p = 0.04); however, the negative per cent agreement (“specificity”) between the two imaging modalities was 100%. Although both imaging modalities performed equally in identifying normal and abnormal sialographic examinations, CBCT demonstrated a high negative per cent agreement for normal glands and a high positive per cent agreement (“sensitivity”) for abnormal glands with inflammatory changes. Conclusion CBCT sialography allowed better visualization of gland parenchyma and identification of sialoliths. The high negative per cent agreement for strictures suggests that, if strictures are identified on CBCT images, then obstruction can be ruled in. Relative to plain images, the high negative per cent agreement for normal glands suggests that, if an abnormal finding is detected on CBCT images, then disease can be ruled in, and the high positive per cent agreement for glands with inflammatory changes suggests that inflammation can be ruled out if these changes are not seen on CBCT images. PMID:23253564

  1. Numerical studies of 2-dimensional flows

    NASA Technical Reports Server (NTRS)

    Moretti, G.

    1985-01-01

    A formulation of the lambda scheme for the analysis of two dimensional inviscid, compressible, unsteady transonic flows is presented. The scheme uses generalized Riemann variables to determine the appropriate two point, one sided finite difference approximation for each derivative in the unsteady Euler equations. These finite differences are applied at the predictor and corrector levels with shock updating at each level. The weaker oblique shocks are captured, but strong near normal shocks are fitted into the flow using the Rankine-Hugoniot relations. This code is demonstrated with a numerical example of a duct flow problem with developing normal and oblique shock waves. The technique is implemented in a code which has been made efficient by streamlining to a minimal number of operations and by eliminating branch statements. The scheme is shown to provide an accurate analysis of the flow, including formation, motions, and interactions of shocks; the results obtained on a relatively coarse mesh are comparable to those obtained by other methods on much finer meshes.

  2. Numerical study of a helicon gas discharge

    NASA Astrophysics Data System (ADS)

    Batishchev, Oleg; Molvig, Kim

    2001-06-01

    Plasma sources based on the helicon gas discharge are widely used in industry [1] due to their high efficiency. We investigate performance of a particular helicon plasma sources designed for the VASIMR [2] plasma thruster. Specifically we are interested in the VX-10 configuration [3] operating with hydrogen or helium plasmas. Firstly, we use our zero-dimensional model to characterize plasma condition and composition [4]. Next we couple it to one-dimensional hybrid model [5] for a rarified gas flow in the system feeding pipe - quartz tube of the helicon. We perform numerical analysis of plasma source operation in different regimes. Results are compared and used to explain experimental data [3]. Finally, we'll discuss more detailed fully kinetic models for the gas and plasma species evolution in the helicon discharge with parameters typical to that of the VASIMR plasma thruster. [1] M.A. Lieberman and A.J.Lihtenberg, , 'Principles of plasma discharges and materials processing', Wiley, NY, 1994; [2] F.Chang-Diaz et al, Bull. APS 45 (7) 129, 2000; [3] J. Squire et al., Bull. APS 45 (7) 130, 2000; [4] O.Batishchev and Kim Molvig, AIAA technical paper 2000-3754, 2000; [5] O.Batishchev and Kim Molvig, AIAA technical paper 2001-0963, 2001.

  3. A Numerical Study of Heat Pulse Propagation

    NASA Astrophysics Data System (ADS)

    Borse, Garold; Sylvia, Patti; Bateman, Glenn; Kritz, Arnold

    1999-11-01

    A highly nonlinear transport model in which the effective diffusivity, D, is a step function of the temperature gradient is numerically applied to the phenomena of heat pulse propagation in tokamaks. After obtaining the steady state solution, an instantaneous heat pulse is used as the initial condition for a time-dependent solution. The temperature deviation from steady state is plotted as a function of time at various values of the minor radius, and the time-to-peak of each curve is obtained. Using these results it is found that the solution, while still diffusive, is characterized by two regions of approximately constant, but significantly different diffusivities. The interior region, very close to the pulse edge, is characterized by a slow diffusion and its size is independent of the height of the step in D. The time for the pulse to reach the transition region is inversely proportional to the step height, and the subsequent larger diffusivity is proportional to the step height. Since the results depend strongly on the steepness and step height of D(-fracpartial Tpartial r), it should be possible to determine the value of the diffusivity in the two regions from the characteristics of the heat pulse propagation.

  4. Numerical Studies of Boundary-Layer Receptivity

    NASA Technical Reports Server (NTRS)

    Reed, Helen L.

    1995-01-01

    Direct numerical simulations (DNS) of the acoustic receptivity process on a semi-infinite flat plate with a modified-super-elliptic (MSE) leading edge are performed. The incompressible Navier-Stokes equations are solved in stream-function/vorticity form in a general curvilinear coordinate system. The steady basic-state solution is found by solving the governing equations using an alternating direction implicit (ADI) procedure which takes advantage of the parallelism present in line-splitting techniques. Time-harmonic oscillations of the farfield velocity are applied as unsteady boundary conditions to the unsteady disturbance equations. An efficient time-harmonic scheme is used to produce the disturbance solutions. Buffer-zone techniques have been applied to eliminate wave reflection from the outflow boundary. The spatial evolution of Tollmien-Schlichting (T-S) waves is analyzed and compared with experiment and theory. The effects of nose-radius, frequency, Reynolds number, angle of attack, and amplitude of the acoustic wave are investigated. This work is being performed in conjunction with the experiments at the Arizona State University Unsteady Wind Tunnel under the direction of Professor William Saric. The simulations are of the same configuration and parameters used in the wind-tunnel experiments.

  5. Externally fed star formation: a numerical study

    NASA Astrophysics Data System (ADS)

    Mohammadpour, Motahareh; Stahler, Steven W.

    2013-08-01

    We investigate, through a series of numerical calculations, the evolution of dense cores that are accreting external gas up to and beyond the point of star formation. Our model clouds are spherical, unmagnetized configurations with fixed outer boundaries, across which gas enters subsonically. When we start with any near-equilibrium state, we find that the cloud's internal velocity also remains subsonic for an extended period, in agreement with observations. However, the velocity becomes supersonic shortly before the star forms. Consequently, the accretion rate building up the protostar is much greater than the benchmark value c_s^3/G, where cs is the sound speed in the dense core. This accretion spike would generate a higher luminosity than those seen in even the most embedded young stars. Moreover, we find that the region of supersonic infall surrounding the protostar races out to engulf much of the cloud, again in violation of the observations, which show infall to be spatially confined. Similar problematic results have been obtained by all other hydrodynamic simulations to date, regardless of the specific infall geometry or boundary conditions adopted. Low-mass star formation is evidently a quasi-static process, in which cloud gas moves inward subsonically until the birth of the star itself. We speculate that magnetic tension in the cloud's deep interior helps restrain the infall prior to this event.

  6. Cerebral laterality for language is related to adult salivary testosterone levels but not digit ratio (2D:4D) in men: A functional transcranial Doppler ultrasound study.

    PubMed

    Papadatou-Pastou, Marietta; Martin, Maryanne

    2017-03-01

    The adequacy of three competing theories of hormonal effects on cerebral laterality are compared using functional transcranial Doppler sonography (fTCD). Thirty-three adult males participated in the study (21 left-handers). Cerebral lateralization was measured by fTCD using an extensively validated word generation task. Adult salivary testosterone (T) and cortisol (C) concentrations were measured by luminescence immunoassay and prenatal T exposure was indirectly estimated by the somatic marker of 2nd to 4th digit length ratio (2D:4D). A significant quadratic relationship between degree of cerebral laterality for language and adult T concentrations was observed, with enhanced T levels for strong left hemisphere dominance and strong right hemisphere dominance. No systematic effects on laterality were found for cortisol or 2D:4D. Findings suggest that higher levels of T are associated with a relatively attenuated degree of interhemispheric sharing of linguistic information, providing support for the callosal and the sexual differentiation hypotheses rather than the Geschwind, Behan and Galaburda (GBG) hypothesis.

  7. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  8. Application of Mice Humanized for CYP2D6 to the Study of Tamoxifen Metabolism and Drug–Drug Interaction with Antidepressants

    PubMed Central

    MacLeod, A. Kenneth; McLaughlin, Lesley A.; Henderson, Colin J.

    2017-01-01

    Tamoxifen is an estrogen receptor antagonist used in the treatment of breast cancer. It is a prodrug that is converted by several cytochrome P450 enzymes to a primary metabolite, N-desmethyltamoxifen (NDT), which is then further modified by CYP2D6 to a pharmacologically potent secondary metabolite, 4-hydroxy-N-desmethyltamoxifen (endoxifen). Antidepressants (ADs), which are often coprescribed to patients receiving tamoxifen, are also metabolized by CYP2D6 and evidence suggests that a drug–drug interaction between these agents adversely affects the outcome of tamoxifen therapy by inhibiting endoxifen formation. We evaluated this potentially important drug–drug interaction in vivo in mice humanized for CYP2D6 (hCYP2D6). The rate of conversion of NDT to endoxifen by hCYP2D6 mouse liver microsomes (MLMs) in vitro was similar to that of the most active members of a panel of 13 individual human liver microsomes. Coincubation with quinidine, a CYP2D6 inhibitor, ablated endoxifen generation by hCYP2D6 MLMs. The NDT-hydroxylation activity of wild-type MLMs was 7.4 times higher than that of hCYP2D6, whereas MLMs from Cyp2d knockout animals were inactive. Hydroxylation of NDT correlated with that of bufuralol, a CYP2D6 probe substrate, in the human liver microsome panel. In vitro, ADs of the selective serotonin reuptake inhibitor class were, by an order of magnitude, more potent inhibitors of NDT hydroxylation by hCYP2D6 MLMs than were compounds of the tricyclic class. At a clinically relevant dose, paroxetine pretreatment inhibited the generation of endoxifen from NDT in hCYP2D6 mice in vivo. These data demonstrate the potential of ADs to affect endoxifen generation and, thereby, the outcome of tamoxifen therapy. PMID:27756789

  9. Limit velocities of lamb waves: Analytic and numerical studies

    NASA Astrophysics Data System (ADS)

    Avershieva, A. V.; Goldstein, R. V.; Kuznetsov, S. V.

    2016-09-01

    The Lamb wave propagation in elastic isotropic and orthotropic layers is studied by numerical and analytic methods. An analytic solution is obtained by using the Cauchy formalism for the entire frequency range. Numerical solutions are obtained in a neighborhood of the second limit velocity corresponding to very small frequencies. The influence of variations in the layer geometry on the dispersion curves is studied.

  10. Numerical study of fluid motion in bioreactor with two mixers

    SciTech Connect

    Zheleva, I.; Lecheva, A.

    2015-10-28

    Numerical study of hydrodynamic laminar behavior of a viscous fluid in bioreactor with multiple mixers is provided in the present paper. The reactor is equipped with two disk impellers. The fluid motion is studied in stream function-vorticity formulation. The calculations are made by a computer program, written in MATLAB. The fluid structure is described and numerical results are graphically presented and commented.

  11. Finger Length Ratio (2D:4D) in Central India and an Attempt to Verify Fraternal Birth Order Effect: A Population Based Cross-Sectional Study

    PubMed Central

    Maitra, Chaitali; Jha, Dilip Kumar; Biswas, Rakesh

    2016-01-01

    Introduction A normal physiology of a human being is not mere a series of functions occurring with specific intensities and timing. There are lot of factors that may change the normal physiological activity within normal limits. Finger length ratio is one of the markers of intrauterine androgen exposure and it is debated and contradicted by many authors. Digit ratio varies among the ethnicities. Many Indian studies show that there is considerable difference in finger length ratio in different population. Data regarding Central India was not found on extensive search. Aim To find out the finger length ratio and explore the birth order effect on finger length ratio among the first two successive born in the said population. Materials and Methods We conducted a survey on 1500 volunteer persons (800 male and 700 female) over two years of time. We measured the length of the index finger (2D) and ring finger (4D) of both the hands and asked about their birth order history to find out the digit ratio for Central India population and any existing correlation of the same with birth order. T Test and Analysis of Variance (ANOVA) were used for the measure of significance and difference among the groups. The p< 0.05 was considered to be significant. Results Our study reports that, study population mean for right hand 2D:4D ratio was 0.976 (SD±0.031) and for left hand it was found to be 0.969 (SD±0.035). For males, mean finger length ratio for right hand was 0.967 (SD±0.033) and 0.963 (SD±0.037) for left hand. In females the mean Finger length ratio was 0.982 (SD±0.027) for right hand and 0.974 (SD±0.034) for the left hand respectively. Finger length ratio was found to be significantly less (p=0.03) in males for right hand. No significant (p=0.24) difference was observed for left hand. When assessed fraternal birth order effect among the eldest, second born with elder brother and second born with elder sister groups, no significant (p>0.05) variation for finger length

  12. A quasi-classical trajectory study of the Cl + H2 (D2) reaction on a new BW3 potential energy surface

    NASA Astrophysics Data System (ADS)

    Shu-Bao, Dong; Er-Yin, Feng; Wu-Ying, Huang; Zhi-Feng, Cui

    2005-01-01

    Molecular reaction dynamics of Cl + H2 (D2) has been studied on the latest analytical potential energy surface called BW3 using the Monte Carlo quasi-classical trajectory method. Excitation functions, differential cross sections and angular distributions of HCl and DCl products have been calculated. The excitation functions of the Cl (2P3/2) + n-H2 and Cl(2P3/2) + n-D2 reactions are also studied. The results are compared with those of quasi-classical trajectory [M. Alagia et al.: Phys. Chem. Chem. Phys. 2 (2000); F. J. Aoiz et al.: J. Phys. Chem. 100 (1996)], quantum mechanical (QM) calculations [F. J. Aoiz et al.:J. Chem. Phys. 115 (2001)] and experimental data [S. H. Lee et al.: J. Chem. Phys. 110 (1999); F. Dong et al.: J. Chem. Phys. 115 (2001)]. Discussions are given to some new results.

  13. E-2D Advanced Hawkeye Aircraft (E-2D AHE)

    DTIC Science & Technology

    2015-12-01

    Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-364 E-2D Advanced Hawkeye Aircraft (E-2D AHE) As of FY 2017 President’s Budget Defense...Office Estimate RDT&E - Research, Development, Test, and Evaluation SAR - Selected Acquisition Report SCP - Service Cost Position TBD - To Be Determined

  14. Improved Large-Scale Inundation Modelling by 1D-2D Coupling and Consideration of Hydrologic and Hydrodynamic Processes - a Case Study in the Amazon

    NASA Astrophysics Data System (ADS)

    Hoch, J. M.; Bierkens, M. F.; Van Beek, R.; Winsemius, H.; Haag, A.

    2015-12-01

    Understanding the dynamics of fluvial floods is paramount to accurate flood hazard and risk modeling. Currently, economic losses due to flooding constitute about one third of all damage resulting from natural hazards. Given future projections of climate change, the anticipated increase in the World's population and the associated implications, sound knowledge of flood hazard and related risk is crucial. Fluvial floods are cross-border phenomena that need to be addressed accordingly. Yet, only few studies model floods at the large-scale which is preferable to tiling the output of small-scale models. Most models cannot realistically model flood wave propagation due to a lack of either detailed channel and floodplain geometry or the absence of hydrologic processes. This study aims to develop a large-scale modeling tool that accounts for both hydrologic and hydrodynamic processes, to find and understand possible sources of errors and improvements and to assess how the added hydrodynamics affect flood wave propagation. Flood wave propagation is simulated by DELFT3D-FM (FM), a hydrodynamic model using a flexible mesh to schematize the study area. It is coupled to PCR-GLOBWB (PCR), a macro-scale hydrological model, that has its own simpler 1D routing scheme (DynRout) which has already been used for global inundation modeling and flood risk assessments (GLOFRIS; Winsemius et al., 2013). A number of model set-ups are compared and benchmarked for the simulation period 1986-1996: (0) PCR with DynRout; (1) using a FM 2D flexible mesh forced with PCR output and (2) as in (1) but discriminating between 1D channels and 2D floodplains, and, for comparison, (3) and (4) the same set-ups as (1) and (2) but forced with observed GRDC discharge values. Outputs are subsequently validated against observed GRDC data at Óbidos and flood extent maps from the Dartmouth Flood Observatory. The present research constitutes a first step into a globally applicable approach to fully couple

  15. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology

    PubMed Central

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-01-01

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct “beyond graphene” domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials. PMID:26861346

  16. Application of 2D Non-Graphene Materials and 2D Oxide Nanostructures for Biosensing Technology.

    PubMed

    Shavanova, Kateryna; Bakakina, Yulia; Burkova, Inna; Shtepliuk, Ivan; Viter, Roman; Ubelis, Arnolds; Beni, Valerio; Starodub, Nickolaj; Yakimova, Rositsa; Khranovskyy, Volodymyr

    2016-02-06

    The discovery of graphene and its unique properties has inspired researchers to try to invent other two-dimensional (2D) materials. After considerable research effort, a distinct "beyond graphene" domain has been established, comprising the library of non-graphene 2D materials. It is significant that some 2D non-graphene materials possess solid advantages over their predecessor, such as having a direct band gap, and therefore are highly promising for a number of applications. These applications are not limited to nano- and opto-electronics, but have a strong potential in biosensing technologies, as one example. However, since most of the 2D non-graphene materials have been newly discovered, most of the research efforts are concentrated on material synthesis and the investigation of the properties of the material. Applications of 2D non-graphene materials are still at the embryonic stage, and the integration of 2D non-graphene materials into devices is scarcely reported. However, in recent years, numerous reports have blossomed about 2D material-based biosensors, evidencing the growing potential of 2D non-graphene materials for biosensing applications. This review highlights the recent progress in research on the potential of using 2D non-graphene materials and similar oxide nanostructures for different types of biosensors (optical and electrochemical). A wide range of biological targets, such as glucose, dopamine, cortisol, DNA, IgG, bisphenol, ascorbic acid, cytochrome and estradiol, has been reported to be successfully detected by biosensors with transducers made of 2D non-graphene materials.

  17. Unparticle example in 2D.

    PubMed

    Georgi, Howard; Kats, Yevgeny

    2008-09-26

    We discuss what can be learned about unparticle physics by studying simple quantum field theories in one space and one time dimension. We argue that the exactly soluble 2D theory of a massless fermion coupled to a massive vector boson, the Sommerfield model, is an interesting analog of a Banks-Zaks model, approaching a free theory at high energies and a scale-invariant theory with nontrivial anomalous dimensions at low energies. We construct a toy standard model coupling to the fermions in the Sommerfield model and study how the transition from unparticle behavior at low energies to free particle behavior at high energies manifests itself in interactions with the toy standard model particles.

  18. Laboratory Experiments On Continually Forced 2d Turbulence

    NASA Astrophysics Data System (ADS)

    Wells, M. G.; Clercx, H. J. H.; Van Heijst, G. J. F.

    There has been much recent interest in the advection of tracers by 2D turbulence in geophysical flows. While there is a large body of literature on decaying 2D turbulence or forced 2D turbulence in unbounded domains, there have been very few studies of forced turbulence in bounded domains. In this study we present new experimental results from a continuously forced quasi 2D turbulent field. The experiments are performed in a square Perspex tank filled with water. The flow is made quasi 2D by a steady background rotation. The rotation rate of the tank has a small (<8 %) sinusoidal perturbation which leads to the periodic formation of eddies in the corners of the tank. When the oscillation period of the perturbation is greater than an eddy roll-up time-scale, dipole structures are observed to form. The dipoles can migrate away from the walls, and the interior of the tank is continually filled with vortexs. From experimental visualizations the length scale of the vortexs appears to be largely controlled by the initial formation mechanism and large scale structures are not observed to form at large times. Thus the experiments provide a simple way of cre- ating a continuously forced 2D turbulent field. The resulting structures are in contrast with most previous laboratory experiments on 2D turbulence which have investigated decaying turbulence and have observed the formations of large scale structure. In these experiments, decaying turbulence had been produced by a variety of methods such as the decaying turbulence in the wake of a comb of rods (Massen et al 1999), organiza- tion of vortices in thin conducting liquids (Cardoso et al 1994) or in rotating systems where there are sudden changes in angular rotation rate (Konijnenberg et al 1998). Results of dye visualizations, particle tracking experiments and a direct numerical simulation will be presented and discussed in terms of their oceanographic application. Bibliography Cardoso,O. Marteau, D. &Tabeling, P

  19. Studying Spacecraft Charging via Numerical Simulations

    NASA Astrophysics Data System (ADS)

    Delzanno, G. L.; Moulton, D.; Meierbachtol, C.; Svyatskiy, D.; Vernon, L.

    2015-12-01

    The electrical charging of spacecraft due to bombarding charged particles can affect their performance and operation. We study this charging using CPIC; a particle-in-cell code specifically designed for studying plasma-material interactions [1]. CPIC is based on multi-block curvilinear meshes, resulting in near-optimal computational performance while maintaining geometric accuracy. Relevant plasma parameters are imported from the SHIELDS framework (currently under development at LANL), which simulates geomagnetic storms and substorms in the Earth's magnetosphere. Simulated spacecraft charging results of representative Van Allen Probe geometries using these plasma parameters will be presented, along with an overview of the code. [1] G.L. Delzanno, E. Camporeale, J.D. Moulton, J.E. Borovsky, E.A. MacDonald, and M.F. Thomsen, "CPIC: A Curvilinear Particle-In-Cell Code for Plasma-Material Interaction Studies," IEEE Trans. Plas. Sci., 41 (12), 3577 (2013).

  20. Comparative numerical study on the optimal vulcanization of rubber compounds through traditional curing and microwaves

    NASA Astrophysics Data System (ADS)

    Milani, Gabriele; Milani, Federico

    2012-12-01

    The main problem in the industrial production process of thick EPM/EPDM elements is constituted by the different temperatures which undergo internal (cooler) and external regions. Indeed, while internal layers remain essentially under-vulcanized, external coating is always over-vulcanized, resulting in an overall average tensile strength insufficient to permit the utilization of the items in several applications where it is required a certain level of performance. Possible ways to improve rubber output mechanical properties include a careful calibration of exposition time and curing temperature in traditional heating or a vulcanization through innovative techniques, such as microwaves. In the present paper, a comprehensive numerical model able to give predictions on the optimized final mechanical properties of vulcanized 2D and 3D thick rubber items is presented and applied to a meaningful example of engineering interest. A detailed comparative numerical study is finally presented in order to establish pros and cons of traditional vulcanization vs microwaves curing.

  1. Numerical Study of Single-Chamber Solid Oxide Fuel Cells

    NASA Astrophysics Data System (ADS)

    Hao, Yong

    Single-chamber solid oxide fuel cells (SCFC) are ones in which the fuel and oxidizer are premixed, and selective electrode catalysts are used to generate the oxygen partial pressure gradient that in a conventional dual-chamber design is produced by physical separation of the fuel and oxidizer streams. The SCFC concept is a novel simplification of a conventional solid oxide fuel cell (SOFC), and SCFCs have been shown capable of generating power densities high enough to make them potentially useful in many applications where the simplicity of a single gas chamber and absence of seals offsets the expected lower efficiency of SCFCs compared to dual-chamber SOFCs. SCFC performance is found to depend sensitively on cell microstructure, geometry, and flow conditions, and optimization of SCFC stacks requires considering complex, coupled chemical and transport processes. However, research activity in this area is far from sufficient and insights about SCFC systems are very limited. The understanding of many fundamental physical and chemical processes required for improving SCFC designs is often beyond the capability of modern experimental techniques, and efficient experimental studies are often held back by the lack of guidance from theoretical models due to the fact that modeling study about SCFC is very rare to date, and existing models about conventional SOFCs are not suitable for simulating SCFCs because of the inherent differences of single-chamber SOFCs from conventional ones. In order to systematically investigate these problems and optimize the electrical performance of SCFC systems, a 2D numerical model of a single-chamber solid oxide fuel cell (SCFC) operating on hydrocarbon fuels is developed and presented in this work. The model accounts for the coupled effects of gas channel fluid flow, heat transfer, porous media transport, catalytic reforming/shifting chemistry, electrochemistry, and mixed ionic-electronic conductivity. It solves for the velocity, temperature

  2. A numerical study of forced lithospheric thinning

    NASA Technical Reports Server (NTRS)

    Schubert, G.; Anderson, A.; Fishbein, E.

    1985-01-01

    Subsolidus lithospheric thinning by mantle plumes may be involved in the creation of swells, hotspots, and rifts. Among the major questions concerning this process are the timescale on which it occurs and the structure of the plumes. The lithosphere is known to have been substantially thinned in 10 Ma or less. Current studies are focused on the lithospheric thinning by time-dependent plumes hypothesized to have large temperature differences across them.

  3. Representativeness of 2D models to simulate 3D unstable variable density flow in porous media

    NASA Astrophysics Data System (ADS)

    Knorr, Bastian; Xie, Yueqing; Stumpp, Christine; Maloszewski, Piotr; Simmons, Craig T.

    2016-11-01

    Variable density flow in porous media has been studied primarily using numerical models because it is a semi-chaotic and transient process. Most of these studies have been 2D, owing to the computational restrictions on 3D simulations, and the ability to observe variable density flow in 2D experimentation. However, it is recognised that variable density flow is a three-dimensional process. A 3D system may cause weaker variable density flow than a 2D system due to stronger dispersion, but may also result in bigger fingers and hence stronger variable density flow because of more space for fingers to coalesce. This study aimed to determine the representativeness of 2D modelling to simulate 3D variable density flow. 3D homogeneous sand column experiments were conducted at three different water flow velocities with three different bromide tracer solutions mixed with methanol resulting in different density ratios. Both 2D axisymmetric and 3D numerical simulations were performed to reproduce experimental data. Experimental results showed that the magnitude of variable density flow increases with decreasing flow rates and decreasing density ratios. The shapes of the observed breakthrough curves differed significantly from those produced by 2D axisymmetric and 3D simulations. Compared to 2D simulations, the onset of instabilities was delayed but the growth was more pronounced in 3D simulations. Despite this difference, both 2D axisymmetric and 3D models successfully simulated mass recovery with high efficiency (between 77% and 99%). This study indicates that 2D simulations are sufficient to understand integrated features of variable density flow in homogeneous sand column experiments.

  4. NOTE: Hybrid plan verification for intensity-modulated radiation therapy (IMRT) using the 2D ionization chamber array I'mRT MatriXX—a feasibility study

    NASA Astrophysics Data System (ADS)

    Dobler, Barbara; Streck, Natalia; Klein, Elisabeth; Loeschel, Rainer; Haertl, Petra; Koelbl, Oliver

    2010-01-01

    The 2D ionization chamber array I'mRT MatriXX (IBA, Schwarzenbruck, Germany) has been developed for absolute 2D dosimetry and verification of intensity-modulated radiation therapy (IMRT) for perpendicular beam incidence. The aim of this study is to evaluate the applicability of I'mRT MatriXX for oblique beam incidence and hybrid plan verification of IMRT with original gantry angles. For the assessment of angular dependence, open fields with gantry angles in steps of 10° were calculated on a CT scan of I'mRT MatriXX. For hybrid plan verification, 17 clinical IMRT plans and one rotational plan were used. Calculations were performed with pencil beam (PB), collapsed cone (CC) and Monte Carlo (MC) methods, which had been previously validated. Measurements were conducted on an Elekta SynergyS linear accelerator. To assess the potential and limitations of the system, gamma evaluation was performed with different dose tolerances and distances to agreement. Hybrid plan verification passed the gamma test with 4% dose tolerance and 3 mm distance to agreement in all cases, in 82-88% of the cases for tolerances of 3%/3 mm, and in 59-76% of the cases if 3%/2 mm were used. Separate evaluation of the low dose and high dose regions showed that I'mRT MatriXX can be used for hybrid plan verification of IMRT plans within 3% dose tolerance and 3 mm distance to agreement with a relaxed dose tolerance of 4% in the low dose region outside the multileaf collimator (MLC).

  5. Respiratory motion compensation for simultaneous PET/MR based on a 3D-2D registration of strongly undersampled radial MR data: a simulation study

    NASA Astrophysics Data System (ADS)

    Rank, Christopher M.; Heußer, Thorsten; Flach, Barbara; Brehm, Marcus; Kachelrieß, Marc

    2015-03-01

    We propose a new method for PET/MR respiratory motion compensation, which is based on a 3D-2D registration of strongly undersampled MR data and a) runs in parallel with the PET acquisition, b) can be interlaced with clinical MR sequences, and c) requires less than one minute of the total MR acquisition time per bed position. In our simulation study, we applied a 3D encoded radial stack-of-stars sampling scheme with 160 radial spokes per slice and an acquisition time of 38 s. Gated 4D MR images were reconstructed using a 4D iterative reconstruction algorithm. Based on these images, motion vector fields were estimated using our newly-developed 3D-2D registration framework. A 4D PET volume of a patient with eight hot lesions in the lungs and upper abdomen was simulated and MoCo 4D PET images were reconstructed based on the motion vector fields derived from MR. For evaluation, average SUVmean values of the artificial lesions were determined for a 3D, a gated 4D, a MoCo 4D and a reference (with ten-fold measurement time) gated 4D reconstruction. Compared to the reference, 3D reconstructions yielded an underestimation of SUVmean values due to motion blurring. In contrast, gated 4D reconstructions showed the highest variation of SUVmean due to low statistics. MoCo 4D reconstructions were only slightly affected by these two sources of uncertainty resulting in a significant visual and quantitative improvement in terms of SUVmean values. Whereas temporal resolution was comparable to the gated 4D images, signal-to-noise ratio and contrast-to-noise ratio were close to the 3D reconstructions.

  6. Insights into Gulf of Mexico Gas Hydrate Study Sites GC955 and WR313 from New Multicomponent and High-Resolution 2D Seismic Data

    NASA Astrophysics Data System (ADS)

    Haines, S. S.; Hart, P. E.; Collett, T. S.; Shedd, W. W.; Frye, M.

    2014-12-01

    In 2013, the U.S. Geological Survey led a seismic acquisition expedition in the Gulf of Mexico, acquiring multicomponent data and high-resolution 2D multichannel seismic (MCS) data at Green Canyon 955 (GC955) and Walker Ridge 313 (WR313). Based on previously collected logging-while-drilling (LWD) borehole data, these gas hydrate study sites are known to include high concentrations of gas hydrate within sand layers. At GC955 our new 2D data reveal at least three features that appear to be fluid-flow pathways (chimneys) responsible for gas migration and thus account for some aspects of the gas hydrate distribution observed in the LWD data. Our new data also show that the main gas hydrate target, a Pleistocene channel/levee complex, has an areal extent of approximately 5.5 square kilometers and that a volume of approximately 3 x 107 cubic meters of this body lies within the gas hydrate stability zone. Based on LWD-inferred values and reasonable assumptions for net sand, sand porosity, and gas hydrate saturation, we estimate a total equivalent gas-in-place volume of approximately 8 x 108 cubic meters for the inferred gas hydrate within the channel/levee deposits. At WR313 we are able to map the thin hydrate-bearing sand layers in considerably greater detail than that provided by previous data. We also can map the evolving and migrating channel feature that persists in this area. Together these data and the emerging results provide valuable new insights into the gas hydrate systems at these two sites.

  7. Numerical study of insect free hovering flight

    NASA Astrophysics Data System (ADS)

    Wu, Di; Yeo, Khoon Seng; Lim, Tee Tai; Fluid lab, Mechanical Engineering, National University of Singapore Team

    2012-11-01

    In this paper we present the computational fluid dynamics study of three-dimensional flow field around a free hovering fruit fly integrated with unsteady FSI analysis and the adaptive flight control system for the first time. The FSI model being specified for fruitfly hovering is achieved by coupling a structural problem based on Newton's second law with a rigorous CFD solver concerning generalized finite difference method. In contrast to the previous hovering flight research, the wing motion employed here is not acquired from experimental data but governed by our proposed control systems. Two types of hovering control strategies i.e. stroke plane adjustment mode and paddling mode are explored, capable of generating the fixed body position and orientation characteristic of hovering flight. Hovering flight associated with multiple wing kinematics and body orientations are shown as well, indicating the means by which fruitfly actually maintains hovering may have considerable freedom and therefore might be influenced by many other factors beyond the physical and aerodynamic requirements. Additionally, both the near- and far-field flow and vortex structure agree well with the results from other researchers, demonstrating the reliability of our current model.

  8. Numerical Studies of Properties of Confined Helium

    NASA Technical Reports Server (NTRS)

    Manousakis, Efstratios

    2003-01-01

    We carry out state of the art simulations of properties of confined liquid helium near the superfluid transition to a degree of accuracy which allows to make predictions for the outcome of fundamental physics experiments in microgravity. First we report our results for the finite-size scaling behavior of heat capacity of superfluids for cubic and parallel-plate geometry. This allows us to study the crossover from zero and two dimensions to three dimensions. Our calculated scaling functions are in good agreement with recently measured specific heat scaling functions for the above mentioned geometries. We also present our results of a quantum simulation of submonolayer of molecular hydrogen deposited on an ideal graphite substrate using path-integral quantum Monte Carlo simulation. We find that the monolayer phase diagram is rich and very similar to that of helium monolayer. We are able to uncover the main features of the complex monolayer phase diagram, such as the commensurate solid phases and the commensurate to incommensurate transition, in agreement with the experiments and to find some features which are missing from the experimental analysis.

  9. 2-d Finite Element Code Postprocessor

    SciTech Connect

    Sanford, L. A.; Hallquist, J. O.

    1996-07-15

    ORION is an interactive program that serves as a postprocessor for the analysis programs NIKE2D, DYNA2D, TOPAZ2D, and CHEMICAL TOPAZ2D. ORION reads binary plot files generated by the two-dimensional finite element codes currently used by the Methods Development Group at LLNL. Contour and color fringe plots of a large number of quantities may be displayed on meshes consisting of triangular and quadrilateral elements. ORION can compute strain measures, interface pressures along slide lines, reaction forces along constrained boundaries, and momentum. ORION has been applied to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  10. Residual lens effects in 2D mode of auto-stereoscopic lenticular-based switchable 2D/3D displays

    NASA Astrophysics Data System (ADS)

    Sluijter, M.; IJzerman, W. L.; de Boer, D. K. G.; de Zwart, S. T.

    2006-04-01

    We discuss residual lens effects in multi-view switchable auto-stereoscopic lenticular-based 2D/3D displays. With the introduction of a switchable lenticular, it is possible to switch between a 2D mode and a 3D mode. The 2D mode displays conventional content, whereas the 3D mode provides the sensation of depth to the viewer. The uniformity of a display in the 2D mode is quantified by the quality parameter modulation depth. In order to reduce the modulation depth in the 2D mode, birefringent lens plates are investigated analytically and numerically, by ray tracing. We can conclude that the modulation depth in the 2D mode can be substantially decreased by using birefringent lens plates with a perfect index match between lens material and lens plate. Birefringent lens plates do not disturb the 3D performance of a switchable 2D/3D display.

  11. Analytical and numerical studies on a single-droplet evaporation and combustion under forced convection

    NASA Astrophysics Data System (ADS)

    Zhou, L. X.; Li, K.

    2015-08-01

    Existing droplet evaporation/combustion models in computational fluid dynamics (CFD) simulation of spray combustion are based on simplified 1-D models. Both these models and recently developed 3-D models of single-droplet combustion do not give the conditions for the different existing droplet combustion modes. In this paper, droplet evaporation and combustion are studied both analytically and numerically. In the analytical solution, a 2-D axisymmetric flow surrounding an evaporating and combusting droplet was considered. The governing equations were solved using an integral method, similar to the Karman-Pohlhausen method for solving boundary-layer flows with pressure gradient. The results give a local evaporation rate and flame radius in agreement with experimental results. In numerical simulation, 3-D combusting gas flows surrounding an ethanol droplet were studied. The prediction results show three modes of droplet combustion under different relative velocities, explaining the change in the evaporation constant with an increase in relative velocity observed in experiments. This implies that different droplet combustion models should be developed in simulating spray combustion. The predicted local evaporation rate and flame radius by numerical simulation are in agreement with the analytical solution in the range of azimuthal angles . The numerical results indicate that the drag force of an evaporating and combusting droplet is much smaller than that of a cold solid particle, and thus the currently used drag models should be modified.

  12. Altered spin state equilibrium in the T309V mutant of cytochrome P450 2D6: a spectroscopic and computational study

    PubMed Central

    Bonifacio, Alois; Groenhof, André R.; Keizers, Peter H. J.; de Graaf, Chris; Commandeur, Jan N. M.; Vermeulen, Nico P. E.; Ehlers, Andreas W.; Lammertsma, Koop; Gooijer, Cees

    2007-01-01

    Cytochrome P450 2D6 (CYP2D6) is one of the most important cytochromes P450 in humans. Resonance Raman data from the T309V mutant of CYP2D6 show that the substitution of the conserved I-helix threonine situated in the enzyme’s active site perturbs the heme spin equilibrium in favor of the six-coordinated low-spin species. A mechanistic hypothesis is introduced to explain the experimental observations, and its compatibility with the available structural and spectroscopic data is tested using quantum-mechanical density functional theory calculations on active-site models for both the CYP2D6 wild type and the T309V mutant. Electronic supplementary material The online version of this article (doi:10.1007/s00775-007-0210-5) contains supplementary material, which is available to authorized users. PMID:17318599

  13. SU-E-T-20: A Correlation Study of 2D and 3D Gamma Passing Rates for Prostate IMRT Plans

    SciTech Connect

    Zhang, D; Wang, B; Ma, C; Deng, X

    2015-06-15

    Purpose: To investigate the correlation between the two-dimensional gamma passing rate (2D %GP) and three-dimensional gamma passing rate (3D %GP) in prostate IMRT quality assurance. Methods: Eleven prostate IMRT plans were randomly selected from the clinical database and were used to obtain dose distributions in the phantom and patient. Three types of delivery errors (MLC bank sag errors, central MLC errors and monitor unit errors) were intentionally introduced to modify the clinical plans through an in-house Matlab program. This resulted in 187 modified plans. The 2D %GP and 3D %GP were analyzed using different dose-difference and distance-toagreement (1%-1mm, 2%-2mm and 3%-3mm) and 20% dose threshold. The 2D %GP and 3D %GP were then compared not only for the whole region, but also for the PTVs and critical structures using the statistical Pearson’s correlation coefficient (γ). Results: For different delivery errors, the average comparison of 2D %GP and 3D %GP showed different conclusions. The statistical correlation coefficients between 2D %GP and 3D %GP for the whole dose distribution showed that except for 3%/3mm criterion, 2D %GP and 3D %GP of 1%/1mm criterion and 2%/2mm criterion had strong correlations (Pearson’s γ value >0.8). Compared with the whole region, the correlations of 2D %GP and 3D %GP for PTV were better (the γ value for 1%/1mm, 2%/2mm and 3%/3mm criterion was 0.959, 0.931 and 0.855, respectively). However for the rectum, there was no correlation between 2D %GP and 3D %GP. Conclusion: For prostate IMRT, the correlation between 2D %GP and 3D %GP for the PTV is better than that for normal structures. The lower dose-difference and DTA criterion shows less difference between 2D %GP and 3D %GP. Other factors such as the dosimeter characteristics and TPS algorithm bias may also influence the correlation between 2D %GP and 3D %GP.

  14. Numerical comparison of Kalman filter algorithms - Orbit determination case study

    NASA Technical Reports Server (NTRS)

    Bierman, G. J.; Thornton, C. L.

    1977-01-01

    Numerical characteristics of various Kalman filter algorithms are illustrated with a realistic orbit determination study. The case study of this paper highlights the numerical deficiencies of the conventional and stabilized Kalman algorithms. Computational errors associated with these algorithms are found to be so large as to obscure important mismodeling effects and thus cause misleading estimates of filter accuracy. The positive result of this study is that the U-D covariance factorization algorithm has excellent numerical properties and is computationally efficient, having CPU costs that differ negligibly from the conventional Kalman costs. Accuracies of the U-D filter using single precision arithmetic consistently match the double precision reference results. Numerical stability of the U-D filter is further demonstrated by its insensitivity to variations in the a priori statistics.

  15. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  16. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  17. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  18. Ligand Efficiency Outperforms pIC50 on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists.

    PubMed

    Li, Jiazhong; Bai, Fang; Liu, Huanxiang; Gramatica, Paola

    2015-12-01

    The concept of ligand efficiency is defined as biological activity in each molecular size and is widely accepted throughout the drug design community. Among different LE indices, surface efficiency index (SEI) was reported to be the best one in support vector machine modeling, much better than the generally and traditionally used end-point pIC50. In this study, 2D multiple linear regression and 3D comparative molecular field analysis methods are employed to investigate the structure-activity relationships of a series of androgen receptor antagonists, using pIC50 and SEI as dependent variables to verify the influence of using different kinds of end-points. The obtained results suggest that SEI outperforms pIC50 on both MLR and CoMFA models with higher stability and predictive ability. After analyzing the characteristics of the two dependent variables SEI and pIC50, we deduce that the superiority of SEI maybe lie in that SEI could reflect the relationship between molecular structures and corresponding bioactivities, in nature, better than pIC50. This study indicates that SEI could be a more rational parameter to be optimized in the drug discovery process than pIC50.

  19. Alternative solutions to caesium in negative-ion sources: a study of negative-ion surface production on diamond in H2/D2 plasmas

    NASA Astrophysics Data System (ADS)

    Cartry, Gilles; Kogut, Dmitry; Achkasov, Kostiantyn; Layet, Jean-Marc; Farley, Thomas; Gicquel, Alix; Achard, Jocelyn; Brinza, Ovidiu; Bieber, Thomas; Khemliche, Hocine; Roncin, Philippe; Simonin, Alain

    2017-02-01

    This paper deals with a study of H‑/D‑ negative ion surface production on diamond in low pressure H2/D2 plasmas. A sample placed in the plasma is negatively biased with respect to plasma potential. Upon positive ion impacts on the sample, some negative ions are formed and detected according to their mass and energy by a mass spectrometer placed in front of the sample. The experimental methods developed to study negative ion surface production and obtain negative ion energy and angle distribution functions are first presented. Different diamond materials ranging from nanocrystalline to single crystal layers, either doped with boron or intrinsic, are then investigated and compared with graphite. The negative ion yields obtained are presented as a function of different experimental parameters such as the exposure time, the sample bias which determines the positive ion impact energy and the sample surface temperature. It is concluded from these experiments that the electronic properties of diamond materials, among them the negative electron affinity, seem to be favourable for negative-ion surface production. However, the negative ion yield decreases with the plasma induced defect density.

  20. Consensus Brain-derived Protein, Extraction Protocol for the Study of Human and Murine Brain Proteome Using Both 2D-DIGE and Mini 2DE Immunoblotting

    PubMed Central

    Fernandez-Gomez, Francisco-Jose; Jumeau, Fanny; Derisbourg, Maxime; Burnouf, Sylvie; Tran, Hélène; Eddarkaoui, Sabiha; Obriot, Hélène; Dutoit-Lefevre, Virginie; Deramecourt, Vincent; Mitchell, Valérie; Lefranc, Didier; Hamdane, Malika; Blum, David; Buée, Luc; Buée-Scherrer, Valérie; Sergeant, Nicolas

    2014-01-01

    Two-dimensional gel electrophoresis (2DE) is a powerful tool to uncover proteome modifications potentially related to different physiological or pathological conditions. Basically, this technique is based on the separation of proteins according to their isoelectric point in a first step, and secondly according to their molecular weights by SDS polyacrylamide gel electrophoresis (SDS-PAGE). In this report an optimized sample preparation protocol for little amount of human post-mortem and mouse brain tissue is described. This method enables to perform both two-dimensional fluorescence difference gel electrophoresis (2D-DIGE) and mini 2DE immunoblotting. The combination of these approaches allows one to not only find new proteins and/or protein modifications in their expression thanks to its compatibility with mass spectrometry detection, but also a new insight into markers validation. Thus, mini-2DE coupled to western blotting permits to identify and validate post-translational modifications, proteins catabolism and provides a qualitative comparison among different conditions and/or treatments. Herein, we provide a method to study components of protein aggregates found in AD and Lewy body dementia such as the amyloid-beta peptide and the alpha-synuclein. Our method can thus be adapted for the analysis of the proteome and insoluble proteins extract from human brain tissue and mice models too. In parallel, it may provide useful information for the study of molecular and cellular pathways involved in neurodegenerative diseases as well as potential novel biomarkers and therapeutic targets. PMID:24747743

  1. Consensus brain-derived protein, extraction protocol for the study of human and murine brain proteome using both 2D-DIGE and mini 2DE immunoblotting.

    PubMed

    Fernandez-Gomez, Francisco-Jose; Jumeau, Fanny; Derisbourg, Maxime; Burnouf, Sylvie; Tran, Hélène; Eddarkaoui, Sabiha; Obriot, Hélène; Dutoit-Lefevre, Virginie; Deramecourt, Vincent; Mitchell, Valérie; Lefranc, Didier; Hamdane, Malika; Blum, David; Buée, Luc; Buée-Scherrer, Valérie; Sergeant, Nicolas

    2014-04-10

    Two-dimensional gel electrophoresis (2DE) is a powerful tool to uncover proteome modifications potentially related to different physiological or pathological conditions. Basically, this technique is based on the separation of proteins according to their isoelectric point in a first step, and secondly according to their molecular weights by SDS polyacrylamide gel electrophoresis (SDS-PAGE). In this report an optimized sample preparation protocol for little amount of human post-mortem and mouse brain tissue is described. This method enables to perform both two-dimensional fluorescence difference gel electrophoresis (2D-DIGE) and mini 2DE immunoblotting. The combination of these approaches allows one to not only find new proteins and/or protein modifications in their expression thanks to its compatibility with mass spectrometry detection, but also a new insight into markers validation. Thus, mini-2DE coupled to western blotting permits to identify and validate post-translational modifications, proteins catabolism and provides a qualitative comparison among different conditions and/or treatments. Herein, we provide a method to study components of protein aggregates found in AD and Lewy body dementia such as the amyloid-beta peptide and the alpha-synuclein. Our method can thus be adapted for the analysis of the proteome and insoluble proteins extract from human brain tissue and mice models too. In parallel, it may provide useful information for the study of molecular and cellular pathways involved in neurodegenerative diseases as well as potential novel biomarkers and therapeutic targets.

  2. Study on Fracture Behavior of 2D-C/C Composite for Application to Control Rod of Very High Temperature Reactor

    NASA Astrophysics Data System (ADS)

    Sumita, J.; Fujita, I.; Shibata, T.; Makita, T.; Takagi, T.; Kunimoto, E.; Sawa, K.; Kim, W.; Park, J.

    2011-10-01

    For a control rod element of the Very High Temperature Reactor, a carbon fiber reinforced carbon matrix composite (C/C composite) is one of the major candidate materials for its high strength and thermal stability. In this study, in order to establish the data base of the 2D-C/C composite, the fracture data was obtained by simulating the crack expected to be generated under the VHTR condition and the oxidation effect on the fracture behavior was evaluated. Moreover, the fracture mechanism of the C/C composite was investigated through scanning electron microscope observation. This study showed that the oxidized matrix caused reduction of the fracture toughness and the reduction ratio was dependent on the density of matrix and a number cracks. With increasing the oxidation, the fracture toughness is mainly dependent on the fiber characteristics. Furthermore, the crack grows along the boundary between fiber bundles without breaking the fiber. The cracks which were initiated at the interface between the matrix and the fiber were gathered into the voids in the boundary between fiber bundles, and, then, the cracks grew up in the matrix.

  3. Interplay between Anderson and Stark Localization in 2D Lattices

    SciTech Connect

    Kolovsky, A. R.

    2008-11-07

    This Letter studies the dynamics of a quantum particle in 2D lattices with on-site disorder in the presence of a static field. It is shown that the particle is localized along the field direction, while in the orthogonal direction to the field it shows diffusive dynamics for algebraically large times. For weak disorder an analytical expression for the diffusion coefficient is obtained by mapping the problem to a band random matrix. This expression is confirmed by numerical simulations of the particle's dynamics, which also indicate the existence of a universal equation for the diffusion coefficient, valid for an arbitrary disorder strength.

  4. HP-Lattice QSAR for dynein proteins: experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence.

    PubMed

    Dea-Ayuela, María Auxiliadora; Pérez-Castillo, Yunierkis; Meneses-Marcel, Alfredo; Ubeira, Florencio M; Bolas-Fernández, Francisco; Chou, Kuo-Chen; González-Díaz, Humberto

    2008-08-15

    The toxicity and inefficacy of actual organic drugs against Leishmaniosis justify research projects to find new molecular targets in Leishmania species including Leishmania infantum (L. infantum) and Leishmaniamajor (L. major), both important pathogens. In this sense, quantitative structure-activity relationship (QSAR) methods, which are very useful in Bioorganic and Medicinal Chemistry to discover small-sized drugs, may help to identify not only new drugs but also new drug targets, if we apply them to proteins. Dyneins are important proteins of these parasites governing fundamental processes such as cilia and flagella motion, nuclear migration, organization of the mitotic splinde, and chromosome separation during mitosis. However, despite the interest for them as potential drug targets, so far there has been no report whatsoever on dyneins with QSAR techniques. To the best of our knowledge, we report here the first QSAR for dynein proteins. We used as input the Spectral Moments of a Markov matrix associated to the HP-Lattice Network of the protein sequence. The data contain 411 protein sequences of different species selected by ClustalX to develop a QSAR that correctly discriminates on average between 92.75% and 92.51% of dyneins and other proteins in four different train and cross-validation datasets. We also report a combined experimental and theoretic study of a new dynein sequence in order to illustrate the utility of the model to search for potential drug targets with a practical example. First, we carried out a 2D-electrophoresis analysis of L. infantum biological samples. Next, we excised from 2D-E gels one spot of interest belonging to an unknown protein or protein fragment in the region M<20,200 and pI<4. We used MASCOT search engine to find proteins in the L. major data base with the highest similarity score to the MS of the protein isolated from L. infantum. We used the QSAR model to predict the new sequence as dynein with probability of 99.99% without

  5. Compatibility study of a parenteral microdose polyethylene glycol formulation in medical devices and identification of degradation impurity by 2D-LC/MS.

    PubMed

    Dai, Lulu; Yeh, Geoffrey K; Ran, Yingqing; Yehl, Peter; Zhang, Kelly

    2017-04-15

    Polyethylene glycol (PEG) based formulation and polyvinylchloride (PVC) tubing are frequently used for drug delivery and administration. The compatibility of a parenteral drug microdose formulation in intravenous infusion (IV) devices was studied to support the clinical determination of absolute bioavailability by the microdosing method. The investigational microdose formulation containing PEG was found prone to significant loss of potency within hours of storage in the PVC IV tubing due to degradation. Degradation occurred only when both PEG and PVC tubing were present. The degradation product could not be detected by LC/MS due to the significant interference from the high concentration of PEG (4%) matrix and the extremely low level of drug (0.6ppm). To obtain structural information of the degradation impurity and understand the cause of the degradation, a simple heart-cutting 2D-LC/MS approach was utilized to effectively separate the impurity from the complex PEG oligomers and overcome the matrix interference, enabling mass spectrometric analysis of the impurity. An oxidation- dominated mechanism was proposed in which the combination of PEG auto-oxidation and dehydrochlorination of the PVC tubing yielded an oxidative environment that enhanced radical propagation and accelerated degradation of the investigational parent drug.

  6. New dicyano cyclometalated compounds containing Pd(II)-Tl(I) bonds as building blocks in 2D extended structures: synthesis, structure, and luminescence studies.

    PubMed

    Sicilia, Violeta; Forniés, Juan; Fuertes, Sara; Martín, Antonio

    2012-10-15

    New mixed metal complexes [PdTl(C^N)(CN)(2)] [C^N = 7,8-benzoquinolinate (bzq, 3); 2-phenylpyridinate (ppy, 4)] have been synthesized by reaction of their corresponding precursors (NBu(4))[Pd(C^N)(CN)(2)] [C^N = bzq (1), ppy (2)] with TlPF(6). Compounds 3 and 4 were studied by X-ray diffraction, showing the not-so-common Pd(II)-Tl(I) bonds. Both crystal structures exhibit 2-D extended networks fashioned by organometallic "PdTl(C^N)(CN)(2)" units, each one containing a donor-acceptor Pd(II)-Tl(I) bond, which are connected through additional Tl···N≡C contacts and weak Tl···π (bzq) contacts in the case of 3. Solid state emissions are red-shifted compared with those of the precursors and have been assigned to metal-metal'-to-ligand charge transfer (MM'LCT [d/s σ*(Pd,Tl) → π*(C^N)]) mixed with some intraligand ((3)IL[π(C^N) → π*(C^N)]) character. In diluted solution either at room temperature or 77 K, the Pd-Tl bond is no longer retained as confirmed by mass spectrometry, NMR, and UV-vis spectroscopic techniques.

  7. Studies on substantially increased proteins in follicular fluid of bovine ovarian follicular cysts using 2-D PAGE and MALDI-TOF MS

    PubMed Central

    Maniwa, Jiro; Izumi, Shunsuke; Isobe, Naoki; Terada, Takato

    2005-01-01

    Background The objective of this study was to identify substantially increased proteins in bovine cystic follicular fluid (FF) in order to clarify the pathology and etiology of bovine ovarian follicular cysts (BOFC). Methods Proteins in normal and cystic FF samples were subjected to two-dimensional polyacrylamide gel electrophoresis (2-D PAGE) and were compared using silver stained gel images with PDQuest image analysis software. Peptides from these increased spots were analyzed by matrix assisted laser desorption/ionization-time of flight mass spectrometry (MALDI-TOF MS), and were identified based on the NCBI database by a peptide mass fingerprinting method. Results Comparative proteomic analysis showed 8 increased protein spots present in cystic FF. MS analysis and database searching revealed that the increased proteins in cystic FF were bovine mitochondrial f1-atpase (BMFA), erythroid associated factor (EAF), methionine synthase (MeS), VEGF-receptor, glyceraldehydes 3-phosphate dehydrogenase (GAPDH), heat shock protein 70 (HSP70), β-lactoglobulin (BLG) and succinate dehydrogenase Ip subunit (SD). Conclusion Our results suggest that these proteins are overexpressed in BOFC, and that they may play important roles in the pathogenesis of BOFC. Furthermore, these proteins in the FF could be useful biomarkers for BOFC. PMID:15941490

  8. Study on the numerical schemes for hypersonic flow simulation

    NASA Astrophysics Data System (ADS)

    Nagdewe, S. P.; Shevare, G. R.; Kim, Heuy-Dong

    2009-10-01

    Hypersonic flow is full of complex physical and chemical processes, hence its investigation needs careful analysis of existing schemes and choosing a suitable scheme or designing a brand new scheme. The present study deals with two numerical schemes Harten, Lax, and van Leer with Contact (HLLC) and advection upstream splitting method (AUSM) to effectively simulate hypersonic flow fields, and accurately predict shock waves with minimal diffusion. In present computations, hypersonic flows have been modeled as a system of hyperbolic equations with one additional equation for non-equilibrium energy and relaxing source terms. Real gas effects, which appear typically in hypersonic flows, have been simulated through energy relaxation method. HLLC and AUSM methods are modified to incorporate the conservation laws for non-equilibrium energy. Numerical implementation have shown that non-equilibrium energy convect with mass, and hence has no bearing on the basic numerical scheme. The numerical simulation carried out shows good comparison with experimental data available in literature. Both numerical schemes have shown identical results at equilibrium. Present study has demonstrated that real gas effects in hypersonic flows can be modeled through energy relaxation method along with either AUSM or HLLC numerical scheme.

  9. Numerical study on small scale vertical axis wind turbine

    NASA Astrophysics Data System (ADS)

    Parra-Santos, Teresa; Gallegos, Armando; Uzarraga, Cristóbal N.; Rodriguez, Miguel A.

    2016-03-01

    The performance of a Vertical Axis Wind Turbine (VAWT) is numerically analyzed. The set-up is Hdarrieus with three straight blades airfoils NACA attached to a rotating vertical shaft. The wind turbine has solidity equals to the unity operating with wind velocity of 7 m/s. Influence of pitch angle is tested to get design tendencies. 2D, transient, Navier Stokes equations are solved using the code Ansys-Fluent. Conservation equations were solved with a Third-Order MUSCL scheme using SIMPLE to couple pressure and velocity. More than six revolutions must be simulated to get the periodic behavior. Two models of turbulence have been contrasted Realizable k-epsilon and Transition SST concluding the last one show more realistic flow features. Pitch angles of 0º, -6º and -10º have been tested with Tip Speed Ratios ranging from 0.7 and 1.6. The no null pitch angles improve the performance of the wind turbine. Instantaneous and averaged power coefficients as well as detailed flow field around the airfoils are showed.

  10. A numerical study of aerosol effects on electrification of thunderstorms

    NASA Astrophysics Data System (ADS)

    Tan, Y. B.; Shi, Z.; Chen, Z. L.; Peng, L.; Yang, Y.; Guo, X. F.; Chen, H. R.

    2017-02-01

    Numerical simulations are performed to investigate the effect of aerosol on microphysical and electrification in thunderstorm clouds. A two-dimensional (2-D) cumulus model with electrification scheme including non-inductive and inductive charge separation is used. The concentration of aerosol particles with distribution fitted by superimposing three log-normal distributions rises from 50 to 10,000 cm-3. The results show that the response of charge separation rate to the increase of aerosol concentration is nonmonotonic. When aerosol concentration is changed from 50 to 1000 cm-3, a stronger formation of cloud droplet, graupel and ice crystal results in increasing charge separation via non-inductive and inductive mechanism. However, in the range of 1000-3000 cm-3, vapor competition arises in the decrease of ice crystal mixing ratio and the reduction of ice crystals size leads to a slightly decrease in non-inductive charge rate, while inductive charging rate has no significant change in magnitude. Above aerosol concentration of 3000 cm-3, the magnitude of charging rate which keeps steady is insensitive to the increase in aerosol concentration. The results also suggest that non-inductive charge separation between ice crystal and graupel contributes to the main upper positive charge region and the middle negative charge region. Inductive graupel-cloud droplet charge separation, on the other hand, is found to play an important role in the development of lower charge region.

  11. A temperature dependent 2D-ACAR study of untwinned metallic YBa{sub 2}Cu{sub 3}O{sub 7{minus}x}

    SciTech Connect

    Smedskjaer, L.C.; Welp, U.; Fang, Y.; Bailey, K.G.; Bansil, A.

    1992-02-01

    The authors have carried out 2D-ACAR measurements in the c-axis projection on an untwinned single crystal of YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} as a function of temperature, for five temperatures ranging from 30K to 300K. These temperature dependent 2D-ACAR spectra can be approximated by a superposition of two temperature independent spectra with temperature dependent weighting factors. The authors discuss how the temperature dependence of the data can be exploited to obtain a {open_quote}background corrected{close_quote} experimental spectrum, which is found to be in remarkable accord with the corresponding band theory based predictions, including for the first time the overall amplitude of the anisotropy in the 2D-ACAR. The corrected data also show clear signatures of the ridge Fermi surface and an indication of the pillbox surface.

  12. Association Between Albuminuria and Duration of Diabetes and Myocardial Dysfunction and Peripheral Arterial Disease Among Patients With Stable Coronary Artery Disease in the BARI 2D Study

    PubMed Central

    Escobedo, Jorge; Rana, Jamal S.; Lombardero, Manuel S.; Albert, Stewart G.; Davis, Andrew M.; Kennedy, Frank P.; Mooradian, Arshag D.; Robertson, David G.; Srinivas, V. S.; Gebhart, Suzanne S. P.

    2010-01-01

    OBJECTIVE: To evaluate the effect of prior duration of diabetes, glycated hemoglobin level at study entry, and microalbuminuria or macroalbuminuria on the extent and severity of coronary artery disease (CAD) and peripheral arterial disease. PATIENTS AND METHODS: We studied baseline characteristics of the 2368 participants of the BARI 2D (Bypass Angioplasty Revascularization Investigation 2 Diabetes) study, a randomized clinical trial that evaluates treatment efficacy for patients with type 2 diabetes and angiographically documented stable CAD. Patients were enrolled from January 1, 2001, through March 31, 2005. Peripheral arterial disease was ascertained by an ankle-brachial index (ABI) of 0.9 or less, and extent of CAD was measured by presence of multivessel disease, a left ventricular ejection fraction (LVEF) of less than 50%, and myocardial jeopardy index. RESULTS: Duration of diabetes of 20 or more years was associated with increased risk of ABI of 0.9 or less (odds ratio [OR], 1.54; 95% confidence interval [CI], 1.04-2.26), intermittent claudication (OR, 1.61; 95% CI, 1.10-2.35), and LVEF of less than 50% (OR, 2.03; 95% CI, 1.37-3.02). Microalbuminuria was associated with intermittent claudication (OR, 1.53; 95% CI, 1.16-2.02) and ABI of 0.9 or less (OR, 1.31; 95% CI, 0.98-1.75), whereas macroalbuminuria was associated with abnormal ABI, claudication, and LVEF of less than 50%. There was a significant association between diabetes duration and extent of CAD as manifested by number of coronary lesions, but no other significant associations were observed between duration of disease, glycated hemoglobin levels, or albumin-to-creatinine ratio and other manifestations of CAD. CONCLUSION: Duration of diabetes and microalbuminuria or macroalbuminuria are important predictors of severity of peripheral arterial disease and left ventricular dysfunction in a cohort of patients selected for the presence of CAD. PMID:20042560

  13. Characteristics of spondylotic myelopathy on 3D driven-equilibrium fast spin echo and 2D fast spin echo magnetic resonance imaging: a retrospective cross-sectional study.

    PubMed

    Abdulhadi, Mike A; Perno, Joseph R; Melhem, Elias R; Nucifora, Paolo G P

    2014-01-01

    In patients with spinal stenosis, magnetic resonance imaging of the cervical spine can be improved by using 3D driven-equilibrium fast spin echo sequences to provide a high-resolution assessment of osseous and ligamentous structures. However, it is not yet clear whether 3D driven-equilibrium fast spin echo sequences adequately evaluate the spinal cord itself. As a result, they are generally supplemented by additional 2D fast spin echo sequences, adding time to the examination and potential discomfort to the patient. Here we investigate the hypothesis that in patients with spinal stenosis and spondylotic myelopathy, 3D driven-equilibrium fast spin echo sequences can characterize cord lesions equally well as 2D fast spin echo sequences. We performed a retrospective analysis of 30 adult patients with spondylotic myelopathy who had been examined with both 3D driven-equilibrium fast spin echo sequences and 2D fast spin echo sequences at the same scanning session. The two sequences were inspected separately for each patient, and visible cord lesions were manually traced. We found no significant differences between 3D driven-equilibrium fast spin echo and 2D fast spin echo sequences in the mean number, mean area, or mean transverse dimensions of spondylotic cord lesions. Nevertheless, the mean contrast-to-noise ratio of cord lesions was decreased on 3D driven-equilibrium fast spin echo sequences compared to 2D fast spin echo sequences. These findings suggest that 3D driven-equilibrium fast spin echo sequences do not need supplemental 2D fast spin echo sequences for the diagnosis of spondylotic myelopathy, but they may be less well suited for quantitative signal measurements in the spinal cord.

  14. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Hallquist, J. O.; Sanford, Larry

    1996-07-15

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  15. MAZE96. Generates 2D Input for DYNA NIKE & TOPAZ

    SciTech Connect

    Sanford, L.; Hallquist, J.O.

    1992-02-24

    MAZE is an interactive program that serves as an input and two-dimensional mesh generator for DYNA2D, NIKE2D, TOPAZ2D, and CHEMICAL TOPAZ2D. MAZE also generates a basic template for ISLAND input. MAZE has been applied to the generation of input data to study the response of two-dimensional solids and structures undergoing finite deformations under a wide variety of large deformation transient dynamic and static problems and heat transfer analyses.

  16. Numerical Study of Magnetic Damping During Unidirectional Solidification

    NASA Technical Reports Server (NTRS)

    Li, Ben Q.

    1997-01-01

    A fully 3-D numerical model is developed to represent magnetic damping of complex fluid flow, heat transfer and electromagnetic field distributions in a melt cavity. The model is developed based on our in-house finite element code for the fluid flow, heat transfer and electromagnetic field calculations. The computer code has been tested against benchmark test problems that are solved by other commercial codes as well as analytical solutions whenever available. The numerical model is tested against numerical and experimental results for water reported in literature. With the model so tested, various numerical simulations are carried out for the Sn-35.5% Pb melt convection and temperature distribution in a cylindrical cavity with and without the presence of a transverse magnetic field. Numerical results show that magnetic damping can be effectively applied to reduce turbulence and flow levels in the melt undergoing solidification and over a certain threshold value a higher magnetic field resulted in a higher velocity reduction. It is found also that for a fully 3-D representation of the magnetic damping effects, the electric field induced in the melt by the applied DC magnetic field does not vanish, as some researchers suggested, and must be included even for molten metal and semiconductors. Also, for the study of the melt flow instability, a long enough time has to be applied to ensure the final fluid flow recirculation pattern. Moreover, our numerical results suggested that there seems to exist a threshold value of applied magnetic field, above which magnetic damping becomes possible and below which the convection in the melt is actually enhanced. Because of the limited financial resource allocated for the project, we are unable to carry out extensive study on this effect, which should warrant further theoretical and experimental study. In that endeavor, the developed numerical model should be very useful; and the model should serve as a useful tool for exploring

  17. A spectroscopic study of nicotine analogue 2-phenylpyrrolidine (PPD) using resonant two-photon ionization (R2PI), microwave, and 2D NMR techniques.

    PubMed

    Martin, Danielle E; Robertson, Evan G; MacLellan, Jonathan G; Godfrey, Peter D; Thompson, Christopher D; Morrison, Richard J S

    2009-02-25

    Conformational preferences of the nicotine analogue 2-phenylpyrrolidine (PPD) have been studied in both gaseous and solution phases. Theoretical calculations at the MP2 and B3LYP levels point to 5-6 stable conformers which differ in three degrees of conformational freedom; torsion between the two rings, inversion at the pyrrolidine (PY) amine, and PY ring puckering, characterized using the Cremer-Pople definition for pseudorotation. Only one conformer has a trans arrangement between the amino hydrogen and the phenyl substituent. It is 6-8 kJ mol(-1) more stable than the cis conformers, has a perpendicular ring arrangement, and puckers at the nitrogen atom--similar to structures reported for nicotine. Resonant two-photon ionization (R2PI) data, including hole burn spectra, indicate only one conformer is present in the free jet expansion, and band contour analysis suggests assignment to the trans conformer. Confirmation was provided by microwave spectroscopy. Fifty-seven lines measured in the 48-72 GHz region were assigned to 206 b-type transitions and fitted to yield rotational constants within 2 MHz of MP2 values predicted for the trans conformer. The solution-phase conformers of PPD were studied using 1D and 2D (1)H NMR spectroscopy and solvent-based theoretical calculations. In marked contrast to the gas phase, NMR data reveals only cis conformers present in solution. Calculations confirm increased stability for these conformers when placed in simulated chloroform or water environments. Solvent molecules are believed to disrupt a crucial N...H(ortho) stabilizing interaction present within the trans conformer.

  18. ALL-CERAMIC AND PORCELAIN-FUSED-TO-METAL FIXED PARTIAL DENTURES: A COMPARATIVE STUDY BY 2D FINITE ELEMENT ANALYSES

    PubMed Central

    Motta, Andréia Barreira; Pereira, Luiz Carlos; da Cunha, Andréia R.C.C

    2007-01-01

    All-ceramic fixed partial dentures (FPDs) have an esthetic approach for oral rehabilitation. However, metal-ceramic FPDs are best indicated in the posterior area where the follow-up studies found a lower failure rate. This 2D finite element study compared the stress distribution on 3-unit all-ceramic and metal-ceramic FPDs and identified the areas of major risk of failure. Three FPD models were designed: (1) metal-ceramic FPD; (2) All-ceramic FPD with the veneering porcelain on the occlusal and cervical surface of the abutment tooth; (3) All-ceramic FPD with the veneering porcelain only on the occlusal surface. A 100 N load was applied in an area of 0.5 mm2 on the working cusps, following these simulations: (1) on the abutment teeth and the pontic; (2) only on the abutment teeth; and (3) only on the pontic. Relative to the maximum stress values found for the physiological load, all-ceramic FPD with only occlusal veneering porcelain produced the lowest stress value (220 MPa), followed by all-ceramic FPD with cervical veneering porcelain (322 MPa) and metal-ceramic FPD (387 MPa). The stress distribution of the load applied on the abutments was significantly better compared to the other two load simulations. The highest principal stress values were low and limited in a small area for the three types of models under this load. When the load was applied on the pontic, the highest stress values appeared on the connector areas between the abutments and pontic. In conclusion, the best stress values and distribution were found for the all-ceramic FPD with the veneering porcelain only on the occlusal surface. However, in under clinical conditions, fatigue conditions and restoration defects must be considered. PMID:19089168

  19. Functional study of two biochemically unusual mutations in GUCY2D Leber congenital amaurosis expressed via adenoassociated virus vector in mouse retinas

    PubMed Central

    Boye, Sanford L.; Olshevskaya, Elena V.; Peshenko, Igor V.; McCullough, K. Tyler; Boye, Shannon E.

    2016-01-01

    Purpose To test, in living photoreceptors, two mutations, S248W and R1091x, in the GUCY2D gene linked to Leber congenital amaurosis 1 (LCA1) that fail to inactivate the catalytic activity of a heterologously expressed retinal membrane guanylyl cyclase 1 (RetGC1). Methods GUC2YD cDNA constructs coding for wild-type human (hWT), R1091x, and S248W GUCY2D under the control of the human rhodopsin kinase promoter were expressed in Gucy2e−/−Gucy2f−/− knockout (GCdKO) mouse retinas, which lack endogenous RetGC activity. The constructs were delivered via subretinally injected adenoassociated virus (AAV) vector in one eye, leaving the opposite eye as the non-injected negative control. After testing with electroretinography (ERG), the retinas extracted from the AAV-treated and control eyes were used in guanylyl cyclase activity assays, immunoblotting, and anti-RetGC1 immunofluorescence staining. Results Cyclase activity in retinas treated with either hWT or R1091x GUCY2D transgenes was similar but was undetectable in the S248W GUCY2D-treated retinas, which starkly contrasts their relative activities when heterologously expressed in human embryonic kidney (HEK293) cells. Rod and cone ERGs, absent in GCdKO, appeared in the hWT and R1091x GUCY2D-injected eyes, while the S248W mutant failed to restore scotopic ERG response and enabled only rudimentary photopic ERG response. The hWT and R1091x GUCY2D immunofluorescence was robust in the rod and cone outer segments, whereas the S248W was detectable only in the sparse cone outer segments and sporadic photoreceptor cell bodies. Robust RetGC1 expression was detected with immunoblotting in the hWT and R1091x-treated retinas but was marginal at best in the S248W GUCY2D retinas, despite the confirmed presence of the S248W GUCY2D transcripts. Conclusions The phenotype of S248W GUCY2D in living retinas did not correlate with the previously described normal biochemical activity of this mutant when heterologously expressed in non

  20. Numerical studies of laminar and turbulent drag reduction

    NASA Technical Reports Server (NTRS)

    Balasubramanian, R.; Orszag, S. A.

    1981-01-01

    Two-dimensional incompressible flow over wavy surfaces is studied numerically by spectral methods. Turbulence effects are modeled. Results for symmetric and asymmetric wave forms are presented. Effect of propagating surface waves on drag reduction is studied. Comparisons between computer simulations and experimental results are made.

  1. Numerical aerodynamic simulation facility preliminary study: Executive study

    NASA Technical Reports Server (NTRS)

    1977-01-01

    A computing system was designed with the capability of providing an effective throughput of one billion floating point operations per second for three dimensional Navier-Stokes codes. The methodology used in defining the baseline design, and the major elements of the numerical aerodynamic simulation facility are described.

  2. Numerical study of fractional nonlinear Schrödinger equations.

    PubMed

    Klein, Christian; Sparber, Christof; Markowich, Peter

    2014-12-08

    Using a Fourier spectral method, we provide a detailed numerical investigation of dispersive Schrödinger-type equations involving a fractional Laplacian in an one-dimensional case. By an appropriate choice of the dispersive exponent, both mass and energy sub- and supercritical regimes can be identified. This allows us to study the possibility of finite time blow-up versus global existence, the nature of the blow-up, the stability and instability of nonlinear ground states and the long-time dynamics of solutions. The latter is also studied in a semiclassical setting. Moreover, we numerically construct ground state solutions of the fractional nonlinear Schrödinger equation.

  3. Guided ion beam and theoretical study of the reactions of Os{sup +} with H{sub 2}, D{sub 2}, and HD

    SciTech Connect

    Hinton, Christopher S.; Citir, Murat; Armentrout, P. B.

    2011-12-21

    Reactions of the third-row transition metal cation Os{sup +} with H{sub 2}, D{sub 2}, and HD to form OsH{sup +} (OsD{sup +}) were studied using a guided ion beam tandem mass spectrometer. A flow tube ion source produces Os{sup +} in its {sup 6}D (6s{sup 1}5d{sup 6}) electronic ground state level. Corresponding state-specific reaction cross sections are obtained. The kinetic energy dependences of the cross sections for the endothermic formation of OsH{sup +} and OsD{sup +} are analyzed to give a 0 K bond dissociation energy of D{sub 0}(Os{sup +}-H) = 2.45 {+-} 0.10 eV. Quantum chemical calculations are performed here at several levels of theory, with B3LYP approaches generally overestimating the experimental bond energy whereas results obtained using BHLYP and CCSD(T), coupled-cluster with single, double, and perturbative triple excitations, levels show good agreement. Theory also provides the electronic structures of these species and the potential energy surfaces for reaction. Results from the reactions with HD provide insight into the reaction mechanism and indicate that Os{sup +} reacts via a direct reaction. We also compare this third-row transition metal system with the first-row and second-row congeners, Fe{sup +} and Ru{sup +}, and find that Os{sup +} reacts more efficiently with dihydrogen, forming a stronger M{sup +}-H bond. These differences can be attributed to the lanthanide contraction and relativistic effects.

  4. A comparison study between 3D T2-weighted SPACE and conventional 2D T2-weighted turbo spin echo in assessment of carotid plaque.

    PubMed

    Lv, Peng; Dai, Yuanyuan; Lin, Jiang; Zhang, Weisheng; Liu, Hao; Liu, Hui; Tang, Xiao

    2017-03-01

    The aim of this study was to compare 3D T2-weighted sampling perfection with application optimized contrast using different flip angle evolutions (T2w SPACE) with conventional 2D T2w turbo-spin echo (TSE) in plaque imaging of carotid artery. 45 patients underwent 3.0-T MRI for carotid arteries imaging. MR sequences included T2w SPACE, T2w TSE, Time of flight (TOF) and T1-weighted (T1w) TSE. The signal intensity of intra-plaque hemorrhage (IPH), lipid-rich necrotic core (LRNC), and loose matrix (LM) were measured and their contrast ratios (CRs) against adjacent muscle were calculated. CRs from T2w SPACE and T2w TSE were compared to each other. CRs of LM, LRNC, and IPH measured on T2w SPACE were 1.74-3.04 (2.44), 0.98-1.66 (1.39), and 1.91-2.93 (2.51), respectively. CRs of LM, LRNC, and IPH on T2w TSE were 1.97-3.41 (2.44), 1.18-1.73 (1.43), and 2.26-3.75 (2.26), respectively. There was no significant difference of CR of the carotid plaques between T2w SPACE and T2w TSE (p = 0.455). Markedly significant differences of CRs were found between LM and LRNC (p < 0.001), and between LRNC and IPH (p < 0.001) on T2w SPACE and T2w TSE. T2w SPACE was comparable with conventional T2w TSE in characterization of carotid plaque.

  5. A comparative study of DIGNET, average, complete, single hierarchical and k-means clustering algorithms in 2D face image recognition

    NASA Astrophysics Data System (ADS)

    Thanos, Konstantinos-Georgios; Thomopoulos, Stelios C. A.

    2014-06-01

    The study in this paper belongs to a more general research of discovering facial sub-clusters in different ethnicity face databases. These new sub-clusters along with other metadata (such as race, sex, etc.) lead to a vector for each face in the database where each vector component represents the likelihood of participation of a given face to each cluster. This vector is then used as a feature vector in a human identification and tracking system based on face and other biometrics. The first stage in this system involves a clustering method which evaluates and compares the clustering results of five different clustering algorithms (average, complete, single hierarchical algorithm, k-means and DIGNET), and selects the best strategy for each data collection. In this paper we present the comparative performance of clustering results of DIGNET and four clustering algorithms (average, complete, single hierarchical and k-means) on fabricated 2D and 3D samples, and on actual face images from various databases, using four different standard metrics. These metrics are the silhouette figure, the mean silhouette coefficient, the Hubert test Γ coefficient, and the classification accuracy for each clustering result. The results showed that, in general, DIGNET gives more trustworthy results than the other algorithms when the metrics values are above a specific acceptance threshold. However when the evaluation results metrics have values lower than the acceptance threshold but not too low (too low corresponds to ambiguous results or false results), then it is necessary for the clustering results to be verified by the other algorithms.

  6. The cytochrome P450 2D-mediated formation of serotonin from 5-methoxytryptamine in the brain in vivo: a microdialysis study.

    PubMed

    Haduch, Anna; Bromek, Ewa; Kot, Marta; Kamińska, Katarzyna; Gołembiowska, Krystyna; Daniel, Wladyslawa A

    2015-04-01

    The cytochrome P450 2D (CYP2D) mediates synthesis of serotonin from 5-methoxytryptamine (5-MT), shown in vitro for cDNA-expressed CYP2D-isoforms and liver and brain microsomes. We aimed to demonstrate this synthesis in the brain in vivo. We measured serotonin tissue content in brain regions after 5-MT injection into the raphe nuclei (Model-A), and its extracellular concentration in rat frontal cortex and striatum using an in vivo microdialysis (Model-B) in male Wistar rats. Naïve rats served as control animals. 5-MT injection into the raphe nuclei of PCPA-(tryptophan hydroxylase inhibitor)-pretreated rats increased the tissue concentration of serotonin (from 40 to 90% of the control value, respectively, in the striatum), while the CYP2D inhibitor quinine diminished serotonin level in some brain structures of those animals (Model-A). 5-MT given locally through a microdialysis probe markedly increased extracellular serotonin concentration in the frontal cortex and striatum (to 800 and 1000% of the basal level, respectively) and changed dopamine concentration (Model-B). Quinine alone had no effect on serotonin concentration; however, given jointly with 5-MT, it prevented the 5-MT-induced increase in cortical serotonin in naïve rats and in striatal serotonin in PCPA-treated animals. These results indicate that the CYP2D-catalyzed alternative pathway of serotonin synthesis from 5-MT is relevant in the brain in vivo, and set a new target for the action of psychotropics.

  7. Highly crystalline 2D superconductors

    NASA Astrophysics Data System (ADS)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-12-01

    Recent advances in materials fabrication have enabled the manufacturing of ordered 2D electron systems, such as heterogeneous interfaces, atomic layers grown by molecular beam epitaxy, exfoliated thin flakes and field-effect devices. These 2D electron systems are highly crystalline, and some of them, despite their single-layer thickness, exhibit a sheet resistance more than an order of magnitude lower than that of conventional amorphous or granular thin films. In this Review, we explore recent developments in the field of highly crystalline 2D superconductors and highlight the unprecedented physical properties of these systems. In particular, we explore the quantum metallic state (or possible metallic ground state), the quantum Griffiths phase observed in out-of-plane magnetic fields and the superconducting state maintained in anomalously large in-plane magnetic fields. These phenomena are examined in the context of weakened disorder and/or broken spatial inversion symmetry. We conclude with a discussion of how these unconventional properties make highly crystalline 2D systems promising platforms for the exploration of new quantum physics and high-temperature superconductors.

  8. Extensions of 2D gravity

    SciTech Connect

    Sevrin, A.

    1993-06-01

    After reviewing some aspects of gravity in two dimensions, I show that non-trivial embeddings of sl(2) in a semi-simple (super) Lie algebra give rise to a very large class of extensions of 2D gravity. The induced action is constructed as a gauged WZW model and an exact expression for the effective action is given.

  9. Irreversibility-inversions in 2D turbulence

    NASA Astrophysics Data System (ADS)

    Bragg, Andrew; de Lillo, Filippo; Boffetta, Guido

    2016-11-01

    We consider a recent theoretical prediction that for inertial particles in 2D turbulence, the nature of the irreversibility of their pair dispersion inverts when the particle inertia exceeds a certain value. In particular, when the particle Stokes number, St , is below a certain value, the forward-in-time (FIT) dispersion should be faster than the backward-in-time (BIT) dispersion, but for St above this value, this should invert so that BIT becomes faster than FIT dispersion. This non-trivial behavior arises because of the competition between two physically distinct irreversibility mechanisms that operate in different regimes of St . In 3D turbulence, both mechanisms act to produce faster BIT than FIT dispersion, but in 2D, the two mechanisms have opposite effects because of the inverse energy cascade in the turbulent velocity field. We supplement the qualitative argument given by Bragg et al. by deriving quantitative predictions of this effect in the short-time dispersion limit. These predictions are then confirmed by results of inertial particle dispersion in a direct numerical simulation of 2D turbulence.

  10. Numerical study on the high-speed water-entry of hemispherical and ogival projectiles

    NASA Astrophysics Data System (ADS)

    Guo, Zitao; Zhang, Wei; Wei, Gang; Ren, Peng

    2012-03-01

    The water entry problem is considered as a classic problem which has a long research history; however, projectile water entry is still a difficult problem that has not been completely solved. In this paper, the effects of the projectile nose shape on laws of velocity attenuations for all projectiles were studied by a series of numerical simulations using the AUTODYN-2D. The result showed that the drag coefficient increases monotonically with the initial velocities for an identical projectile and decreases with the CRH values for projectiles at the same velocity. A simple and effective model was proposed to determine the relations between the drag coefficients, nose shape coefficient and initial velocities of projectiles.

  11. Numerical simulations of solar spicules: Adiabatic and non-adiabatic studies

    NASA Astrophysics Data System (ADS)

    Kuźma, B.; Murawski, K.; Zaqarashvili, T. V.; Konkol, P.; Mignone, A.

    2017-01-01

    Aims: We aim to study the formation and evolution of solar spicules using numerical simulations of a vertical velocity pulse that is launched from the upper chromosphere. Methods: With the use of the PLUTO code, we numerically solved adiabatic and non-adiabatic magnetohydrodynamic (MHD) equations in 2D cylindrical geometry. We followed the evolution of spicules triggered by pulses that are launched in a vertical velocity component from the upper chromosphere. Then we compared the results obtained with and without non-adiabatic terms in the MHD equations. Results: Our numerical results reveal that the velocity pulse is steepened into a shock that propagates upward into the corona. The chromospheric cold and dense plasma follows the shock and rises into the corona with the mean speed of 20-25 km s-1. The nonlinear wake behind the pulse in the stratified atmosphere leads to quasi-periodic rebound shocks, which lead to quasi-periodic rising of chromospheric plasma into the corona with a period close to the acoustic cut-off period of the chromosphere. We found that the effect of non-adiabatic terms on spicule evolution is minor; the general properties of spicules such as their heights and rising-time remain slightly affected by these terms. Conclusions: In the framework of the axisymmetric model we devised, we show that the solar spicules can be triggered by the vertical velocity pulses, and thermal conduction and radiative cooling terms do not exert any significant influence on the dynamics of these spicules.

  12. Numerical Study for Gta Weld Shape Variation by Coupling Welding Arc and Weld Pool

    NASA Astrophysics Data System (ADS)

    Dong, Wenchao; Lu, Shanping; Li, Dianzhong; Li, Yiyi

    A numerical modeling of the welding arc and weld pool is studied for moving GTA welding to investigate the effect of the surface active element oxygen and the plasma drag force on the weld shape. Based on the 2D axisymmetric numerical modeling of the argon arc, the heat flux, current density and plasma drag force are obtained under different welding currents. Numerical calculations to the weld pool development are carried out for moving GTA welding on SUS304 stainless steel with different oxygen contents 30 ppm and 220 ppm, respectively. The results show that the plasma drag force is another dominating driving force affecting the liquid pool flow pattern, except for the Marangoni force. The different welding currents will change the temperature distribution and plasma drag force on the pool surface, and affect the strength of Marangoni convection and the weld shape. The weld D/W ratio initially increases, followed by a constant value around 0.5 with the increasing welding current under high oxygen content. The weld D/W ratio under the low oxygen content slightly decreases with the increasing welding current. The predicted weld shape by simulation agrees well with experimental results.

  13. A numerical and experimental study of coaxial jets

    NASA Technical Reports Server (NTRS)

    Nikjooy, M.; Karki, K. C.; Mongia, H. C.; Mcdonell, V. G.; Samuelsen, G. S.

    1989-01-01

    An algebraic stress model and the standard k-epsilon model is applied to predict the mean and turbulence quantities for axisymmetric, nonswirling coaxial jets without confinement. To investigate the effects of numerical (false) diffusion on the predicted results, three different discretization schemes, namely, hybrid, power-law, and the flux-spline, are employed. In addition, an experimental study is conducted to provide data of good quality, especially near the inlet, for model assessment. The results show that the use of the algebraic stress model leads to better agreement between the numerical results and experimental data.

  14. Numerical hysteresis model for intermittent studies in unsaturated soils

    NASA Astrophysics Data System (ADS)

    Banerjee, M.

    1986-07-01

    In the present study, the use of one of the recent dependent domain models of capillary hysteresis in the numerical analysis of intermittent infiltration and redistribution of water in two types of soils (a sand and Rubicon Sandy Loam) has been shown. The numerical results for both the soils have been presented in terms of pressure head depth, moisture content depth and the pressure head-moisture content relationships. The capillary hysteresis model has been found to be very useful for the prediction of both wetting and drying scanning curves of various orders.

  15. A Numerical/Experimental Study of Nitinol Actuator Springs

    NASA Astrophysics Data System (ADS)

    Auricchio, Ferdinando; Scalet, Giulia; Urbano, Marco

    2014-07-01

    This study deals with the numerical modeling, simulation and experimental analysis of shape-memory alloy (SMA) helicoidal springs. An experimental campaign is conducted on both SMA straight wires and helicoidal springs that experienced the same annealing process. Then, we use such experimental results to investigate three phenomenological constitutive models able to represent SMA macroscopic behavior. In particular, after the identification of all the material parameters from experimental results on SMA wires, we inspect the thermo-mechanical behavior of SMA helicoidal springs by comparing numerical predictions to experimental data. Finally, we discuss models capabilities and some aspects characterizing SMA material behavior.

  16. Numerical study of porosity in titanium dental castings.

    PubMed

    Wu, M; Sahm, P R; Augthun, M; Spiekermann, H; Schädlich-Stubenrauch, J

    1999-09-01

    A commercial software package, MAGMASOFT (MAGMA Giessereitechnologie GmbH, Aachen, Germany), was used to study shrinkage and gas porosity in titanium dental castings. A geometrical model for two simplified tooth crowns connected by a connector bar was created. Both mold filling and solidification of this casting model were numerically simulated. Shrinkage porosity was quantitatively predicted by means of a built-in feeding criterion. The risk of gas pore formation was investigated using the numerical filling and solidification results. The results of the numerical simulations were compared with experiments, which were carried out on a centrifugal casting machine with an investment block mold. The block mold was made of SiO2 based slurry with a 1 mm thick Zr2 face coat to reduce metal-mold reactions. Both melting and casting were carried out under protective argon (40 kPa). The finished castings were sectioned and the shrinkage porosity determined. The experimentally determined shrinkage porosity coincided with the predicted numerical simulation results. No apparent gas porosity was found in these model castings. Several running and gating systems for the above model casting were numerically simulated. An optimized running and gating system design was then experimentally cast, which resulted in porosity-free castings.

  17. Field and Numerical Study on Natural River Mixing

    DTIC Science & Technology

    2011-06-01

    AND NUMERICAL STUDY ON NATURAL RIVER MIXING by William A. Swick June 2011 Dissertation Supervisor: James MacMahan THIS PAGE......ABSTRACT (maximum 200 words) Mixing in several natural rivers is investigated using comprehensive point-source dye experiments, Lagrangian GPS-equipped

  18. Numerical Study of Laminar Flow over Acoustic Cavities

    NASA Astrophysics Data System (ADS)

    Owen, Matthew; Cheng, Gary

    2016-11-01

    Fluid flow over an open cavity often emits acoustic waves with certain natural frequencies dependent on the geometry of the cavity and the properties and flow conditions of the fluid. Numerical studies of this kind, Computational Aeroacoustics (CAA), pose a grave challenge to the accuracy and efficiency of numerical methods. This project examines the Space-Time Conservation Element Solution Element (CESE) method developed by Dr. S.C. Chang at NASA GRC and compares numerical results of two-dimensional flow to previous experimental data found in literature. The conclusion the project reached is that the test data agrees well with one of the modes of the predicted frequencies, and that further testing is needed to be able to match experimental results. Funding from NSF REU site Grant EEC 1358991 is greatly appreciated.

  19. Numerical study of self modulation instability of 1 nC electron bunch at ATF

    SciTech Connect

    Fang Yun; Mori, Warren; Muggli, Patric

    2012-12-21

    The development of self-modulation instability (SMI) is investigated numerically for the 1 nC electron bunch available at Accelerator Test Facility (ATF) of Brookhaven National Laboratory (BNL). Possible experiment based on the simulation results is proposed. All the simulations are performed with the 2D-cylindrically symmetric particle-in-cell code.

  20. Two-dimensional (2D) infrared correlation study of the structural characterization of a surface immobilized polypeptide film stimulated by pH

    NASA Astrophysics Data System (ADS)

    Chae, Boknam; Son, Seok Ho; Kwak, Young Jun; Jung, Young Mee; Lee, Seung Woo

    2016-11-01

    The pH-induced structural changes to surface immobilized poly (L-glutamic acid) (PLGA) films were examined by Fourier transform infrared (FTIR) spectroscopy and two-dimensional (2D) correlation analysis. Significant spectral changes were observed in the FTIR spectra of the surface immobilized PLGA film between pH 6 and 7. The 2D correlation spectra constructed from the pH-dependent FTIR spectra of the surface immobilized PLGA films revealed the spectral changes induced by the alternations of the protonation state of the carboxylic acid group in the PLGA side chain. When the pH was increased from 6 to 8, weak spectral changes in the secondary structure of the PLGA main chain were induced by deprotonation of the carboxylic acid side group.

  1. Microwave assisted regioselective synthesis and 2D-NMR studies of novel azoles and azoloazines utilizing fluorine-containing building blocks

    NASA Astrophysics Data System (ADS)

    Al-Bogami, Abdullah S.; Saleh, Tamer S.; Mekky, Ahmed E. M.; Shaaban, Mohamed R.

    2016-10-01

    An efficient regioselective synthesis of novel azoles containing a trifluoromethyl moiety via the 1,3-dipolar cycloaddition reaction under microwave irradiation, using fluorine-containing building blocks methodology was achieved. Furthermore, these novel azoles scaffolds have been employed as the starting material in the synthesis of new azoloazines containing a trifluoromethyl group. An unambiguous structural assignment of the obtained regioisomers was determined using the 2D HMBC NMR techniques as a valuable tool.

  2. Electrochemical incineration of indigo. A comparative study between 2D (plate) and 3D (mesh) BDD anodes fitted into a filter-press reactor.

    PubMed

    Nava, José L; Sirés, Ignasi; Brillas, Enric

    2014-01-01

    This paper compares the performance of 2D (plate) and 3D (mesh) boron-doped diamond (BDD) electrodes, fitted into a filter-press reactor, during the electrochemical incineration of indigo textile dye as a model organic compound in chloride medium. The electrolyses were carried out in the FM01-LC reactor at mean fluid velocities between 0.9 ≤ u ≤ 10.4 and 1.2 ≤ u ≤ 13.9 cm s(-1) for the 2D BDD and the 3D BDD electrodes, respectively, at current densities of 5.63 and 15 mA cm(-2). The oxidation of the organic matter was promoted, on the one hand, via the physisorbed hydroxyl radicals (BDD(·OH)) formed from water oxidation at the BDD surface and, on the other hand, via active chlorine formed from the oxidation of chloride ions on BDD. The performance of 2D BDD and 3D BDD electrodes in terms of current efficiency, energy consumption, and charge passage during the treatments is discussed.

  3. Detection of Anisotropic Hyperfine Components of Chemically Prepared Carotenoid Radical Cations:1D and 2D ESEEM and Pulsed ENDOR Study

    SciTech Connect

    Konovalova, Tatyana A.; Dikanov, Sergei A.; Bowman, Michael K.; Kispert, Lowell D.

    2001-09-06

    Canthaxanthin and 8'-apo-B-caroten-8'-al radical cations chemically prepared on activated silica-alumina and in CH2CI2 solution containing A1C13 were studied by pulsed EPR and ENDOR spectroscopies. Both the 1D three-pulse ESEEM and the 2D HYSCORE spectra of the carotenoid-A1C13 mixtures exhibited the 27 A1 nuclei peak at 3.75 MHz. This indicates electron-transfer interactions between carotenoids and A1III ions resulting in the formation and stabilization of carotenoid radical cations. Davies ENDOR measurements of the canthaxanthin radical cation on silica-alumina determined the hyperfine couplings of B protons belonging to three different methyl groups with ahI=2.6 MHz, aH2=8.6MHz, and ah3 ca. 13 MHz. The principal components of the proton hyperfine tensors were obtained from HYSCORE spectra in A1C13 solutions and on the solid support. Identification of the protons was made on the basis of isotropic hyperfine couplings determined by RHF-INDO/SP molecular orbital calculations. In frozen A1C13 solution, the C(7, 7')Ha and C(14, 14')-Ha a protons were observed for Canthaxanthin and the C(8 or 14')-Ha, C(15')-Ha were observed for 8'-apo-B-caroten-8'-al. On the silica-alumina support, the C(10, 10')-Ha, C(11, 11')-Ha, and C(15,15')-Ha a protons were measured for Canthaxanthin and the C(12)-Ha and C(15')-Ha were measured for 8' apo-B-caroten-8'-al. Some protons with large isotropic couplings (>10 MHz) determined from HYSCORE analysis could be assigned to B protons, but the principal components of their hyperfine tensors are much more anisotropic than those reported previously for B protons. We suggest that cis/trans isomerization of carotenoids on silica-alumina results in stabilization of di-cis isomers with large isotropic couplings for some a protons which are comparable to those of B protons.

  4. Biofouling in forward osmosis systems: An experimental and numerical study.

    PubMed

    Bucs, Szilárd S; Valladares Linares, Rodrigo; Vrouwenvelder, Johannes S; Picioreanu, Cristian

    2016-12-01

    This study evaluates with numerical simulations supported by experimental data the impact of biofouling on membrane performance in a cross-flow forward osmosis (FO) system. The two-dimensional numerical model couples liquid flow with solute transport in the FO feed and draw channels, in the FO membrane support layer and in the biofilm developed on one or both sides of the membrane. The developed model was tested against experimental measurements at various osmotic pressure differences and in batch operation without and with the presence of biofilm on the membrane active layer. Numerical studies explored the effect of biofilm properties (thickness, hydraulic permeability and porosity), biofilm membrane surface coverage, and biofilm location on salt external concentration polarization and on the permeation flux. The numerical simulations revealed that (i) when biofouling occurs, external concentration polarization became important, (ii) the biofilm hydraulic permeability and membrane surface coverage have the highest impact on water flux, and (iii) the biofilm formed in the draw channel impacts the process performance more than when formed in the feed channel. The proposed mathematical model helps to understand the impact of biofouling in FO membrane systems and to develop possible strategies to reduce and control biofouling.

  5. Regulation of ligands for the NKG2D activating receptor

    PubMed Central

    Raulet, David H.; Gasser, Stephan; Gowen, Benjamin G.; Deng, Weiwen; Jung, Heiyoun

    2014-01-01

    NKG2D is an activating receptor expressed by all NK cells and subsets of T cells. It serves as a major recognition receptor for detection and elimination of transformed and infected cells and participates in the genesis of several inflammatory diseases. The ligands for NKG2D are self-proteins that are induced by pathways that are active in certain pathophysiological states. NKG2D ligands are regulated transcriptionally, at the level of mRNA and protein stability, and by cleavage from the cell surface. In some cases, ligand induction can be attributed to pathways that are activated specifically in cancer cells or infected cells. We review the numerous pathways that have been implicated in the regulation of NKG2D ligands, discuss the pathologic states in which those pathways are likely to act, and attempt to synthesize the findings into general schemes of NKG2D ligand regulation in NK cell responses to cancer and infection. PMID:23298206

  6. Comparison between Experimental and Numerical Studies of a Reflex Triode

    DTIC Science & Technology

    2005-06-01

    This paper presents a comparison of experimental and simulated results of a reflex triode driven by a compact Marx system. The experimental setup...consists of a Marx system and a reflex triode together with a short output waveguide. A parametric study has been performed. The diagnostics used include...particle-in-cell simulation code MAGIC is used to numerically study the system described above. A 1D model of the Marx system has been designed and this is

  7. Numerical study of acoustic modes in ducted shear flow

    NASA Astrophysics Data System (ADS)

    Vilenski, Gregory G.; Rienstra, Sjoerd W.

    2007-11-01

    The propagation of small-amplitude modes in an inviscid but sheared mean flow inside a duct is studied numerically. For isentropic flow in a circular duct with zero swirl and constant mean flow density the pressure modes are described in terms of the eigenvalue problem for the Pridmore-Brown equation. Since for sufficiently high Helmholtz and wavenumbers, which are of great interest for applications, the field equation is inherently stiff, special care is taken to insure the stability of the numerical algorithm designed to tackle this problem. The accuracy of the method is checked against the well-known analytical solution for uniform flow. The numerical method is shown to be consistent with the analytical predictions at least for Helmholtz numbers up to 100 and circumferential wavenumbers as large as 50, typical Mach numbers being up to 0.65. In order to gain further insight into the possible structure of the modal solutions and to obtain an independent verification of the robustness of the numerical scheme, comparison to the asymptotic solution of the problem based on the WKB method is performed. The asymptotic solution is also used as a benchmark for computations with high Helmholtz numbers, where numerical solutions of other authors are not available. The bulk of the analysis concentrates on the influence of the wall lining. The proposed numerical procedure is adapted in order to include Ingard-Myers boundary conditions. In parallel with this, the WKB solution is used to check the numerical predictions of the typical behaviour of the axial wavenumber in the complex plane, when the wall impedance varies in the complex plane. Numerical analysis of the problem with zero mean flow at the wall and acoustic lining shows that the use of Ingard-Myers condition in combination with an appropriate slip-stream approximation instead of the actual no-slip mean flow profile gives valid results in the limit of vanishing boundary-layer thickness, although the boundary layer

  8. Numerical study of nonlinear, transcranial focused ultrasound wave propagation for blood-brain barrier (BBB) opening

    NASA Astrophysics Data System (ADS)

    Jiménez, Noé; Roig, Bernardino; Redondo, Javier; Picó, Rubén; Marquet, Fabrice; Konofagou, Elisa E.; Camarena, Francisco

    2012-10-01

    Focused ultrasound (FUS) techniques for Blood-Brain Barrier opening are emerging for localized and safe brain drug delivery. In this work, a transcranial FUS field is computed by a numerical approach entailing nonlinear wave propagation in the time domain in order to determine the position of the true focus and the existence of reflections and resonances. A transducer with a curvature radius of 90 mm, and an aperture of 80 mm was simulated at a central frequency of 500 kHz. The computational method was a Finite-Difference Time-Domain (FDTD) implemented on nonlinear fluid model over a 2D Axis-symmetric domain. The boundary conditions were derived from the apparent density measurements based on a 3D CT scan acquisition performed on a Macaca mulatta primate. The study shows that nonlinear propagation shifts the peak pressure 3 mm away from the transducer when the pressure in the transducer increases from 2 kPa to 70 kPa. The focal shift is mainly due to the presence of the skull and dependent on the incidence angle of the ultrasonic beam. This study proposes a FDTD nonlinear numerical approach to study the propagation of ultrasonic waves through the skull, showing that nonlinear propagation can affect the position of the focal peak.

  9. Numerical Model Studies of the Martian Mesoscale Circulations

    NASA Technical Reports Server (NTRS)

    Segal, Moti; Arritt, Raymond W.

    1997-01-01

    The study objectives were to evaluate by numerical modeling various possible mesoscale circulation on Mars and related atmospheric boundary layer processes. The study was in collaboration with J. Tillman of the University of Washington (who supported the study observationally). Interaction has been made with J. Prusa of Iowa State University in numerical modeling investigation of dynamical effects of topographically-influenced flow. Modeling simulations included evaluations of surface physical characteristics on: (i) the Martian atmospheric boundary layer and (ii) their impact on thermally and dynamically forced mesoscale flows. Special model evaluations were made in support of selection of the Pathfinder landing sites. J. Tillman's finding of VL-2 inter-annual temperature difference was followed by model simulations attempting to point out the forcing for this feature. Publication of the results in the reviewed literature in pending upon completion of the manuscripts in preparation as indicated later.

  10. Numerical study of wave propagation around an underground cavity: acoustic case

    NASA Astrophysics Data System (ADS)

    Esterhazy, Sofi; Perugia, Ilaria; Schöberl, Joachim; Bokelmann, Götz

    2015-04-01

    Motivated by the need to detect an underground cavity within the procedure of an On-Site-Inspection (OSI) of the Comprehensive Nuclear Test Ban Treaty Organization (CTBTO), which might be caused by a nuclear explosion/weapon testing, we aim to provide a basic numerical study of the wave propagation around and inside such an underground cavity. The aim of the CTBTO is to ban all nuclear explosions of any size anywhere, by anyone. Therefore, it is essential to build a powerful strategy to efficiently investigate and detect critical signatures such as gas filled cavities, rubble zones and fracture networks below the surface. One method to investigate the geophysical properties of an underground cavity allowed by the Comprehensive Nuclear-test Ban Treaty is referred to as 'resonance seismometry' - a resonance method that uses passive or active seismic techniques, relying on seismic cavity vibrations. This method is in fact not yet entirely determined by the Treaty and there are also only few experimental examples that have been suitably documented to build a proper scientific groundwork. This motivates to investigate this problem on a purely numerical level and to simulate these events based on recent advances in the mathematical understanding of the underlying physical phenomena. Here, we focus our numerical study on the propagation of P-waves in two dimensions. An extension to three dimensions as well as an inclusion of the full elastic wave field is planned in the following. For the numerical simulations of wave propagation we use a high order finite element discretization which has the significant advantage that it can be extended easily from simple toy designs to complex and irregularly shaped geometries without excessive effort. Our computations are done with the parallel Finite Element Library NGSOLVE ontop of the automatic 2D/3D tetrahedral mesh generator NETGEN (http://sourceforge.net/projects/ngsolve/). Using the basic mathematical understanding of the

  11. Transmission of acoustic waves through mixing layers and 2D isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Juve, D.; Blanc-Benon, P.; Comte-Bellot, G.

    Ray tracing and parabolic equation methods have been used to study the properties of acoustic waves transmitted through turbulent velocity fields. A numerical simulation permits individual realizations of the turbulent field, which then allow, if desired, an ensemble averaging of the fields. Two flows have been considered, 2D isotropic turbulence and a 2D mixing layer. The following complementary aspects are developed: the occurrence of caustics, the reinforced or weakened zones of the acoustic field, the eigenrays between a source and a receiver, and the associated travel times, variances, and scintillation index.

  12. Theoretical study of dissociative recombination of C{sub 2v} triatomic ions: Application to H{sub 2}D{sup +} and D{sub 2}H{sup +}

    SciTech Connect

    Kokoouline, Viatcheslav; Greene, Chris H.

    2005-08-15

    We develop a theoretical treatment of the dissociative recombination of triatomic molecular ions of the C{sub 2v} molecular symmetry group. Using the method, we study the dissociative recombination of the H{sub 2}D{sup +} and D{sub 2}H{sup +} ions. The theoretical rates obtained for the H{sub 2}D{sup +} and D{sub 2}H{sup +} dissociative recombination are in general agreement with storage-ring experiments although there are some potentially informative discrepancies.

  13. Attosecond lighthouses in gases: A theoretical and numerical study

    NASA Astrophysics Data System (ADS)

    Auguste, T.; Gobert, O.; Ruchon, T.; Quéré, F.

    2016-03-01

    We present an extensive theoretical and numerical study of the attosecond lighthouse effect in gases. We study how this scheme impacts the spatiotemporal structure of the driving laser field all along the generation medium, and show that this can modify the phase matching relation governing high-harmonic generation (HHG) in gases. We then present a set of numerical simulations performed to test the robustness of the effect against variations of HHG parameters, and to identify possible solutions for relaxing the constraint on the driving laser pulse duration. We thus demonstrate that the lighthouse effect can actually be achieved with laser pulses consisting of up to ˜8 optical periods available from current lasers without postcompression, for instance by using an appropriate combination of 800 - and 1600 -nm wavelength fields.

  14. Numerical study of fractional nonlinear Schrödinger equations

    PubMed Central

    Klein, Christian; Sparber, Christof; Markowich, Peter

    2014-01-01

    Using a Fourier spectral method, we provide a detailed numerical investigation of dispersive Schrödinger-type equations involving a fractional Laplacian in an one-dimensional case. By an appropriate choice of the dispersive exponent, both mass and energy sub- and supercritical regimes can be identified. This allows us to study the possibility of finite time blow-up versus global existence, the nature of the blow-up, the stability and instability of nonlinear ground states and the long-time dynamics of solutions. The latter is also studied in a semiclassical setting. Moreover, we numerically construct ground state solutions of the fractional nonlinear Schrödinger equation. PMID:25484604

  15. Numerical Studies of a Fluidic Diverter for Flow Control

    NASA Technical Reports Server (NTRS)

    Gokoglu, Suleyman A.; Kuczmarski, Maria A.; Culley, Dennis E.; Raghu, Surya

    2009-01-01

    The internal flow structure in a specific fluidic diverter is studied over a range from low subsonic to sonic inlet conditions by a time-dependent numerical analysis. The understanding will aid in the development of fluidic diverters with minimum pressure losses and advanced designs of flow control actuators. The velocity, temperature and pressure fields are calculated for subsonic conditions and the self-induced oscillatory behavior of the flow is successfully predicted. The results of our numerical studies have excellent agreement with our experimental measurements of oscillation frequencies. The acoustic speed in the gaseous medium is determined to be a key factor for up to sonic conditions in governing the mechanism of initiating the oscillations as well as determining its frequency. The feasibility of employing plasma actuation with a minimal perturbation level is demonstrated in steady-state calculations to also produce oscillation frequencies of our own choosing instead of being dependent on the fixed-geometry fluidic device.

  16. Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy

    SciTech Connect

    Chai, Feng; Chen, YiPing; You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua

    2013-06-01

    Two Keggin-type heteropolytungstates, [Co(phen)₃]₃[CoW₁₂O₄₀]·9H₂O 1 (phen=1,10-phenanthroline) and [Fe(phen)₃]₂[FeW₁₂O₄₀]·H₃O·H₂O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UV–DRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)₃]²⁺ cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 0–50 mT in the range of 600–1000 cm⁻¹, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: • Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. • Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. • Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.

  17. 13C and 15N—Chemical Shift Anisotropy of Ampicillin and Penicillin-V Studied by 2D-PASS and CP/MAS NMR

    NASA Astrophysics Data System (ADS)

    Antzutkin, Oleg N.; Lee, Young K.; Levitt, Malcolm H.

    1998-11-01

    The principal values of the chemical shift tensors of all13C and15N sites in two antibiotics, ampicillin and penicillin-V, were determined by 2-dimensionalphaseadjustedspinningsideband (2D-PASS) and conventional CP/MAS experiments. The13C and15N chemical shift anisotropies (CSA), and their confidence limits, were evaluated using a Mathematica program. The CSA values suggest a revised assignment of the 2-methyl13C sites in the case of ampicillin. We speculate on a relationship between the chemical shift principal values of many of the13C and15N sites and the β-lactam ring conformation.

  18. Feasibility of vibro-acoustography with a quasi-2D ultrasound array transducer for detection and localizing of permanent prostate brachytherapy seeds: A pilot ex vivo study

    SciTech Connect

    Mehrmohammadi, Mohammad; Kinnick, Randall R.; Fatemi, Mostafa; Alizad, Azra; Davis, Brian J.

    2014-09-15

    Purpose: Effective permanent prostate brachytherapy (PPB) requires precise placement of radioactive seeds in and around the prostate. The impetus for this research is to examine a new ultrasound-based imaging modality, vibro-acoustography (VA), which may serve to provide a high rate of PPB seed detection while also effecting enhanced prostate imaging. The authors investigate the ability of VA, implemented on a clinical ultrasound (US) scanner and equipped with a quasi-2D (Q2D) array US transducer, to detect and localize PPB seeds in excised prostate specimens. Methods: Nonradioactive brachytherapy seeds were implanted into four excised cadaver prostates. A clinical US scanner equipped with a Q2D array US transducer was customized to acquire both US and C-scan VA images at various depths. The VA images were then used to detect and localize the implanted seeds in prostate tissue. To validate the VA results, computed tomography (CT) images of the same tissue samples were obtained to serve as the reference by which to evaluate the performance of VA in PPB seed detection. Results: The results indicate that VA is capable of accurately identifying the presence and distribution of PPB seeds with a high imaging contrast. Moreover, a large ratio of the PPB seeds implanted into prostate tissue samples could be detected through acquired VA images. Using CT-based seed identification as the standard, VA was capable of detecting 74%–92% of the implanted seeds. Additionally, the angular independency of VA in detecting PPB seeds was demonstrated through a well-controlled phantom experiment. Conclusions: Q2DVA detected a substantial portion of the seeds by using a 2D array US transducer in excised prostate tissue specimens. While VA has inherent advantages associated with conventional US imaging, it has the additional advantage of permitting detection of PPB seeds independent of their orientation. These results suggest the potential of VA as a method for PPB imaging that

  19. Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation.

    PubMed

    Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais

    2010-02-28

    The combination of tectons based on the [1111]metacyclophane backbone blocked the 1,3-alternate conformation bearing two imidazoly or pyrazolyl groups located on the same side with metal halide complexes leads to the formation of either discrete metallmacrobicycles or infinite 1-D coordination networks. The same backbone bearing two sets of two different coordinating poles composed of two pyridyl and two pyrazolyl units, owing to its non-centrosymmetric nature, forms a directional 2-D network packed in an anti-parallel fashion.

  20. CYP2D6 inhibition by fluoxetine, paroxetine, sertraline, and venlafaxine in a crossover study: intraindividual variability and plasma concentration correlations.

    PubMed

    Alfaro, C L; Lam, Y W; Simpson, J; Ereshefsky, L

    2000-01-01

    The authors report the CYP2D6 inhibitory effects of fluoxetine, paroxetine, sertraline, and venlafaxine in an open-label, multiple-dose, crossover design. Twelve CYP2D6 extensive metabolizers were phenotyped, using the dextromethorphan/dextrorphan (DM/DX) urinary ratio, before and after administration of fluoxetine 60 mg (loading dose strategy), paroxetine 20 mg, sertraline 100 mg, and venlafaxine 150 mg. Paroxetine, sertraline, and venlafaxine sequences were randomized with 2-week washouts between treatments; fluoxetine was the last antidepressant (AD) administered. Comparing within groups, baseline DM/DX ratios (0.017) were significantly lower than DM/DX ratios after treatment (DM/DXAD) with fluoxetine (0.313, p < 0.0001) and paroxetine (0.601, p < 0.0001) but not for sertraline (0.026, p = 0.066) or venlafaxine (0.023, p = 0.485). Between groups, DM/DXAD ratios were significantly higher for fluoxetine and paroxetine compared to sertraline and venlafaxine. No differences between DM/DXAD ratios were found for fluoxetine and paroxetine although more subjects phenocopied to PM status after receiving the latter (42% vs. 83%; chi 2 = 4.44, p = 0.049, df = 1). Similarly, no differences between DM/DXAD ratios were found for sertraline and venlafaxine. Of note, the DM/DXAD for 1 subject was much lower after treatment with paroxetine (0.058) compared to fluoxetine (0.490), while another subject exhibited a much lower ratio after treatment with fluoxetine (0.095) compared to paroxetine (0.397). Significant correlations between AD plasma concentration and DM/DXAD were found for paroxetine (r2 = 0.404, p = 0.026) and sertraline (r2 = 0.64, p = 0.002) but not fluoxetine or venlafaxine. In addition, DM/DXAD correlated with baseline isoenzyme activity for paroxetine, sertraline, and venlafaxine groups. These results demonstrate the potent, but variable, CYP2D6 inhibition of fluoxetine and paroxetine compared to sertraline and venlafaxine. CYP2D6 inhibition may be related, in

  1. Numerical Study of Buoyancy and Different Diffusion Effects on the Structure and Dynamics of Triple Flames

    NASA Technical Reports Server (NTRS)

    Chen, Jyh-Yuan; Echekki, Tarek

    2001-01-01

    Numerical simulations of 2-D triple flames under gravity force have been implemented to identify the effects of gravity on triple flame structure and propagation properties and to understand the mechanisms of instabilities resulting from both heat release and buoyancy effects. A wide range of gravity conditions, heat release, and mixing widths for a scalar mixing layer are computed for downward-propagating (in the same direction with the gravity vector) and upward-propagating (in the opposite direction of the gravity vector) triple flames. Results of numerical simulations show that gravity strongly affects the triple flame speed through its contribution to the overall flow field. A simple analytical model for the triple flame speed, which accounts for both buoyancy and heat release, is developed. Comparisons of the proposed model with the numerical results for a wide range of gravity, heat release and mixing width conditions, yield very good agreement. The analysis shows that under neutral diffusion, downward propagation reduces the triple flame speed, while upward propagation enhances it. For the former condition, a critical Froude number may be evaluated, which corresponds to a vanishing triple flame speed. Downward-propagating triple flames at relatively strong gravity effects have exhibited instabilities. These instabilities are generated without any artificial forcing of the flow. Instead disturbances are initiated by minute round-off errors in the numerical simulations, and subsequently amplified by instabilities. A linear stability analysis on mean profiles of stable triple flame configurations have been performed to identify the most amplified frequency in spatially developed flows. The eigenfunction equations obtained from the linearized disturbance equations are solved using the shooting method. The linear stability analysis yields reasonably good agreements with the observed frequencies of the unstable triple flames. The frequencies and amplitudes of

  2. Numerical studies on boundary effects on the FPU paradox

    NASA Astrophysics Data System (ADS)

    Bambusi, D.; Muraro, D.; Penati, T.

    2008-03-01

    We study numerically the dynamics of a chain of particles subjected to an on site restoring nonlinear force and a first neighbor harmonic coupling. We excite the first linear mode and investigate the distribution of the average harmonic energies at metastable regime, in the spirit of Fermi Pasta Ulam experiment. The limit distribution turns out to strongly depend on the boundary conditions. A theoretical discussion of the phenomenon is also given.

  3. Numerical study of multicomponent droplet vaporization at near critical conditions

    NASA Technical Reports Server (NTRS)

    Hsieh, Kwang-Chung; Shuen, Jian-Shun; Yang, Vigor

    1988-01-01

    A comprehensive numerical analysis of multicomponent droplet vaporization at near critical conditions has been carried out. The model is based on the full time-dependent conservation equations and accommodates various important high-pressure phenomena. As an example, the case involving a two-component (n-pentane and n-octane) fuel droplet in nitrogen gas is studied. The influences of transient effects, surface regression, ambient gas solubility, and phase-equilibrium relations on vaporization mechanisms are examined in detail.

  4. Experimental and numerical study on fragmentation of steel projectiles

    NASA Astrophysics Data System (ADS)

    Råkvaag, K. G.; Børvik, T.; Hopperstad, O. S.; Westermann, I.

    2012-08-01

    A previous experimental study on penetration and perforation of circular Weldox 460E target plates with varying thicknesses struck by blunt-nose projectiles revealed that fragmentation of the projectile occurred if the target thickness or impact velocity exceeded a certain value. Thus, numerical simulations that do not account for fragmentation during impact can underestimate the perforation resistance of protective structures. Previous numerical studies have focused primarily on the target plate behaviour. This study considers the behaviour of the projectile and its possible fragmentation during impact. Hardened steel projectiles were launched at varying velocities in a series of Taylor tests. The impact events were captured using a high-speed camera. Fractography of the fragmented projectiles showed that there are several fracture mechanisms present during the fragmentation process. Tensile tests of the projectile material revealed that the hardened material has considerable variations in yield stress and fracture stress and strain. In the finite element model, the stress-strain behaviour from tensile tests was used to model the projectile material with solid elements and the modified Johnson-Cook constitutive relation. Numerical simulations incorporating the variations in material properties are capable of reproducing the experimental fracture patterns, albeit the predicted fragmentation velocities are too low.

  5. Variable-temperature Fourier-transform infrared studies of poly(L-lactic acid) in different states of order: A 2DCOS and PCMW2D analysis

    NASA Astrophysics Data System (ADS)

    Zhang, Pudun; Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W.

    2016-11-01

    Variable-temperature Fourier-transform infrared (FT-IR) spectra of a predominantly amorphous and a semi-crystalline poly(L-lactic acid) (PLLA) film were measured between 30 °C and 170 °C in order to investigate their temperature-dependent structural changes as a function of the initial state of order. For an in-depth analysis of the spectral variations in the carbonyl stretching band region (1803-1722 cm-1) two-dimensional correlation spectroscopy (2DCOS) and perturbation-correlation moving-window two-dimensional (PCMW2D) analyses were applied. Significant spectral changes were observed during heating of the amorphous PLLA sample whereas the semi-crystalline specimen showed only slight band shifts as a function of the external perturbation. The PCMW2D results suggested that for efficient 2DCOS analyses the heating process should be split up in two temperature intervals. These analyses then provided information on the recrystallization of the amorphous regions, the presence of an intermediate state of order and a sequence scenario for the observed spectral changes.

  6. A numerical parametric study on hydrofoil interaction in tandem

    NASA Astrophysics Data System (ADS)

    Kemal, Omer

    2015-01-01

    Understanding the effects of the parameters affecting the interaction of tandem hydrofoil system is a crucial subject in order to fully comprehend the aero/hydrodynamics of any vehicle moving inside a fluid. This study covers a parametric study on tandem hydrofoil interaction in both potential and viscous fluids using iterative Boundary Element Method (BEM) and RANSE. BEM allows a quick estimation of the flow around bodies and may be used for practical purposes to assess the interaction inside the fluid. The produced results are verified by conformal mapping and Finite Volume Method (FVM). RANSE is used for viscous flow conditions to assess the effects of viscosity compared to the inviscid solutions proposed by BEM. Six different parameters are investigated and they are the effects of distance, thickness, angle of attack, chord length, aspect ratio and tapered wings. A generalized 2-D code is developed implementing the iterative procedure and is adapted to generate results. Effects of free surface and cavitation are ignored. It is believed that the present work will provide insight into the parametric interference between hydrofoils inside the fluid

  7. A numerical study on liquid charging inside electrostatic atomizers

    NASA Astrophysics Data System (ADS)

    Kashir, Babak; Perri, Anthony; Sankaran, Abhilash; Staszel, Christopher; Yarin, Alexander; Mashayek, Farzad

    2016-11-01

    The charging of the dielectric liquid inside an electrostatic atomizer is studied numerically by developing codes based on the OpenFOAM platform. Electrostatic atomization is an appealing technology in painting, fuel injection and oil coating systems due to improved particle-size distribution, enhanced controlability of droplets' trajectories and lower power consumption. The numerical study is conducted concurrently to an experimental investigation to facilitate the validation and deliver feedback for further development. The atomizer includes a pin electrode that is placed at the center of a converging chamber. The chamber orifice is located at a known distance from the electrode tip. The pin electrode is connected to a high voltage that leads to the charging of the liquid. In the present work, the theoretical foundations of separated treatment of the polarized layer and the electronuetral bulk flow are set by describing the governing equations, relevant boundary conditions and the matching condition between these two domains. The resulting split domains are solved numerically to find the distribution of velocity and electrostatic fields over the specified regions. National Science Foundation Award Number: 1505276.

  8. Numerical Study on Tsunami Hazard Mitigation Using a Submerged Breakwater

    PubMed Central

    Yoo, Jeseon; Han, Sejong; Cho, Yong-Sik

    2014-01-01

    Most coastal structures have been built in surf zones to protect coastal areas. In general, the transformation of waves in the surf zone is quite complicated and numerous hazards to coastal communities may be associated with such phenomena. Therefore, the behavior of waves in the surf zone should be carefully analyzed and predicted. Furthermore, an accurate analysis of deformed waves around coastal structures is directly related to the construction of economically sound and safe coastal structures because wave height plays an important role in determining the weight and shape of a levee body or armoring material. In this study, a numerical model using a large eddy simulation is employed to predict the runup heights of nonlinear waves that passed a submerged structure in the surf zone. Reduced runup heights are also predicted, and their characteristics in terms of wave reflection, transmission, and dissipation coefficients are investigated. PMID:25215334

  9. Numerical and Experimental Study on Unsteady Shedding of Partial Cavitation

    NASA Astrophysics Data System (ADS)

    Ji, Bin; Luo, Xianwu; Wu, Yulin; Peng, Xiaoxing; Xu, Hongyuan

    Periodically unsteady shedding of partial cavity and forming of cavitation cloud have a great influence on hydraulic performances and cavitation erosion for ship propellers and hydro machines. In the present study, the unsteady cavitating flow around a hydrofoil has been calculated by using the single fluid approach with a developed cavitation mass transfer expression based on the vaporization and condensation of the fluid. The numerical simulation depicted the unsteady shedding of partial cavity, such as the process of cavity developing, breaking off and collapsing in the downstream under the steady incoming flow condition. It is noted that good agreement between the numerical results and that of experiment conducted at a cavitation tunnel is achieved. The cavitating flow field indicates that the cavity shedding was mainly caused by the re-entrant jet near cavity trailing edge, which was also clearly recorded by high-speed photographing.

  10. Numerical Relativity as a tool for studying the Early Universe

    NASA Astrophysics Data System (ADS)

    Garrison, David

    2013-04-01

    Numerical simulations are becoming a more effective tool for conducting detailed investigations into the evolution of our universe. In this presentation, I show how the framework of numerical relativity can be used for studying cosmological models. We are working to develop a large-scale simulation of the dynamical processes in the early universe. These take into account interactions of dark matter, scalar perturbations, gravitational waves, magnetic fields and a turbulent plasma. The code described in this report is a GRMHD code based on the Cactus framework and is structured to utilize one of several different differencing methods chosen at run-time. It is being developed and tested on the Texas Learning and Computation Center's Xanadu cluster.

  11. Numerical Study of Tokamak Equilibrium with Toroidal Flow on EAST

    NASA Astrophysics Data System (ADS)

    Ren, Qilong; Zhang, Cheng

    2006-09-01

    The effect of the toroidal flow on the equilibrium of tokamak plasmas is a sensitive point for high performance plasma and its precise control. In this paper the effect is studied numerically using the EFIT (Equilibrium Fitting) code on EAST (Experimental Advanced Superconducting Tokamak). Firstly, the numerical calculation exhibits a clear outward shift of pressure contour from the magnetic surfaces in the plasma core and the shift grows with the increase of the toroidal velocity. The peak shift of 8% is observed when the ratio between the plasma velocity and the Alfvén speed equals to 0.15. Secondly, it is shown that the magnetic surfaces shift outwards from those without flow. With a certain plasma current the safety factor on the magnetic axis decreases as the plasma flow velocity increases. The magnetic shear increases about 10% on the plasma boundary compared with the case without flow.

  12. Theoretical and numerical studies of density modulated whistlers

    NASA Astrophysics Data System (ADS)

    Eliasson, B.; Shukla, P. K.

    2004-09-01

    Recently, observations from laboratory experiments, which are relevant to space observations as well, have conclusively revealed the amplitude modulation of whistlers by low-frequency perturbations. Our objective here is to present theoretical and simulation studies of amplitude modulated whistler packets on account of their interaction with background low-frequency density perturbations that are reinforced by the whistler ponderomotive force. Specifically, we show that nonlinear interactions between whistlers and finite amplitude density perturbations are governed by a nonlinear Schrödinger equation for the modulated whistlers, and a set of equations for arbitrary large amplitude density perturbations in the presence of the whistler ponderomotive force. The governing equations are solved numerically to show the existence of large scale density perturbations that are self-consistently created by localized modulated whistler wavepackets. Our numerical results are found to be in good agreement with experimental results, as well as have relevance to observations from magnetized space plasmas.

  13. Effects of Adsorption Constant Uncertainty on Contaminant Plume Migration: One and Two Dimensional Numerical Studies

    NASA Astrophysics Data System (ADS)

    Eliassi, M.

    2002-12-01

    In this study, we use one- and two-dimensional (1D and 2D) reactive-transport models to numerically examine variations in predictions due to uncertainty in the adsorption constants. The study specifically focuses on the hydrogeology and mineralogy of the Naturita uranium mill tailings site in Colorado. This work demonstrates the importance of selecting the appropriate adsorption constants when using reactive-transport models to evaluate risk and pollution attenuation at contaminated sites. In our model, uranium is removed from mill tailings leachate through adsorption onto smectite, an abundant clay mineral at the Naturita site. Uranium adsorbs to specific surface sites on both the basal planes and edges of the smectite. Because uranium adsorbs predominantly to the aluminum edge surface sites [>(e)AlOH], we chose to examine uncertainty only in the equilibrium constants associated with these sites. Using the Latin Hypercube Sampling method, one-hundred pairs of adsorption constant (log K) values are selected for the surface species >(e)AlO- and >(e)AlOUO2+, from normal distributions of each log K. Following a grid convergence study, 1D simulation results can be identified by two distinct groups of uranium breakthrough curves. In the first group, the breakthrough curves exhibit a classical sigmoidal shape whereas in the second group the breakthrough curves display higher uranium concentrations in solution over greater distances and times. These two groups are clearly separated by two different ranges of log K >(e)AlO- values or two different ranges for the smectite point of zero charge. Preliminary 2D simulations, in both homogeneous and randomly heterogeneous aquifers demonstrate that plume geometry and migration in longitudinal and transverse directions are also influenced by the choice of adsorption constants.

  14. New numerical method to study phase transitions and its applications

    SciTech Connect

    Lee, Jooyoung; Kosterlitz, J.M.

    1991-11-01

    We present a powerful method of identifying the nature of transitions by numerical simulation of finite systems. By studying the finite size scaling properties of free energy barrier between competing states, we can identify unambiguously a weak first order transition even when accessible system sizes are L/{xi} < 0.05 as in the five state Potts model in two dimensions. When studying a continuous phase transition we obtain quite accurate estimates of critical exponents by treating it as a field driven first order transition. The method has been successfully applied to various systems.

  15. Numerical study of transient flow phenomena in shock tunnels

    NASA Technical Reports Server (NTRS)

    Tokarcik-Polsky, Susan; Cambier, Jean-Luc

    1994-01-01

    Computational fluid dynamics (CFD) was used to study some transient flow features that can occur during the startup process of a shoch tunnel. The investigation concentrated on two areas: (1) the flow near the endwall of the driven tube during shock reflection and (2) the transient flow in the nozzle. The driven tube calculations were inviscid and focused on the study of a vortex system that was seen to form at the driven tube's axis of symmetry. The nozzle flow calculations examined viscous and inviscid effects during nozzle startup. The CFD solutions of the nozzle flows were compared with experimental data to demonstrate the effectiveness of the numerical analysis.

  16. Feasibility study for a numerical aerodynamic simulation facility: Summary

    NASA Technical Reports Server (NTRS)

    Lincoln, N. R.

    1979-01-01

    The Ames Research Center of NASA is engaged in the development and investigation of numerical methods and computer technologies to be employed in conjunction with physical experiments, particularly utilizing wind tunnels in the furtherance of the field of aircraft and aerodynamic body design. Several studies, aimed primarily at the areas of development and production of extremely high-speed computing facilities, were conducted. The studies focused on evaluating the aspects of feasibility, reliability, costs, and practicability of designing, constructing, and bringing into effect production of a special-purpose system. An executive summary of the activities for this project is presented in this volume.

  17. Differential CYP 2D6 metabolism alters primaquine pharmacokinetics.

    PubMed

    Potter, Brittney M J; Xie, Lisa H; Vuong, Chau; Zhang, Jing; Zhang, Ping; Duan, Dehui; Luong, Thu-Lan T; Bandara Herath, H M T; Dhammika Nanayakkara, N P; Tekwani, Babu L; Walker, Larry A; Nolan, Christina K; Sciotti, Richard J; Zottig, Victor E; Smith, Philip L; Paris, Robert M; Read, Lisa T; Li, Qigui; Pybus, Brandon S; Sousa, Jason C; Reichard, Gregory A; Marcsisin, Sean R

    2015-04-01

    Primaquine (PQ) metabolism by the cytochrome P450 (CYP) 2D family of enzymes is required for antimalarial activity in both humans (2D6) and mice (2D). Human CYP 2D6 is highly polymorphic, and decreased CYP 2D6 enzyme activity has been linked to decreased PQ antimalarial activity. Despite the importance of CYP 2D metabolism in PQ efficacy, the exact role that these enzymes play in PQ metabolism and pharmacokinetics has not been extensively studied in vivo. In this study, a series of PQ pharmacokinetic experiments were conducted in mice with differential CYP 2D metabolism characteristics, including wild-type (WT), CYP 2D knockout (KO), and humanized CYP 2D6 (KO/knock-in [KO/KI]) mice. Plasma and liver pharmacokinetic profiles from a single PQ dose (20 mg/kg of body weight) differed significantly among the strains for PQ and carboxy-PQ. Additionally, due to the suspected role of phenolic metabolites in PQ efficacy, these were probed using reference standards. Levels of phenolic metabolites were highest in mice capable of metabolizing CYP 2D6 substrates (WT and KO/KI 2D6 mice). PQ phenolic metabolites were present in different quantities in the two strains, illustrating species-specific differences in PQ metabolism between the human and mouse enzymes. Taking the data together, this report furthers understanding of PQ pharmacokinetics in the context of differential CYP 2D metabolism and has important implications for PQ administration in humans with different levels of CYP 2D6 enzyme activity.

  18. Theoretical and Numerical Study of Nonlinear Phononic Crystals

    NASA Astrophysics Data System (ADS)

    Guerder, Pierre-Yves

    This work is dedicated to the theoretical and numerical study of nonlinear phononic crystals. The studied nonlinearities are those due to the second (quadratic) and third (cubic) order elastic constants of the materials that constitute the crystals. Nonlinear effects are studied by the means of finite element methods, used to simulate the propagation of an elastic wave through the crystals. A first research project concerns the study of a bone structure, namely the dispersion of elastic waves in a structure composed of collagen and hydroxy apatite alternate constituent layers. Simulations showed that it exists a strong link between bones hydration and their ability to dissipate the energy. The second study relates to an elastic resonator. A structure composed of steel inclusions in a silica matrix shows a switch behavior when the cubic nonlinearities of steel are taken into account. This strong nonlinear effect appears when the amplitude of the incident wave reaches a threshold. A full analytical model is provided. The last study demonstrates the design of composite materials with both strong cubic nonlinearities and weak quadratic nonlinearities. The derivation of the mixing laws of the elastic parameters of a nonlinear material inside a linear one is performed up to order three. Equations show a strong amplification of the nonlinear parameters of the material for some concentrations. Numerical simulations allow to conclude that the above mentioned resonator can be produced.

  19. Numerical Study of Aeroacoustic Sound on Performance of Bladeless Fan

    NASA Astrophysics Data System (ADS)

    Jafari, Mohammad; Sojoudi, Atta; Hafezisefat, Parinaz

    2017-03-01

    Aeroacoustic performance of fans is essential due to their widespread application. Therefore, the original aim of this paper is to evaluate the generated noise owing to different geometric parameters. In current study, effect of five geometric parameters was investigated on well performance of a Bladeless fan. Airflow through this fan was analyzed simulating a Bladeless fan within a 2 m×2 m×4 m room. Analysis of the flow field inside the fan and evaluating its performance were obtained by solving conservations of mass and momentum equations for aerodynamic investigations and FW-H noise equations for aeroacoustic analysis. In order to design Bladeless fan Eppler 473 airfoil profile was used as the cross section of this fan. Five distinct parameters, namely height of cross section of the fan, outlet angle of the flow relative to the fan axis, thickness of airflow outlet slit, hydraulic diameter and aspect ratio for circular and quadratic cross sections were considered. Validating acoustic code results, we compared numerical solution of FW-H noise equations for NACA0012 with experimental results. FW-H model was selected to predict the noise generated by the Bladeless fan as the numerical results indicated a good agreement with experimental ones for NACA0012. To validate 3-D numerical results, the experimental results of a round jet showed good agreement with those simulation data. In order to indicate the effect of each mentioned parameter on the fan performance, SPL and OASPL diagrams were illustrated.

  20. Numerical study of forced convective heat transfer around airships

    NASA Astrophysics Data System (ADS)

    Dai, Qiumin; Fang, Xiande

    2016-02-01

    Forced convective heat transfer is an important factor that affects the thermal characteristics of airships. In this paper, the steady state forced convective heat transfer around an ellipsoid is numerically investigated. The numerical simulation is carried out by commercial computational fluid dynamic (CFD) software over the extended Re range from 20 to 108 and the aspect ratio from 2 to 4. Based on the regression and optimization with software, a new piecewise correlation of the Nusselt number at constant wall temperature for ellipsoid is proposed, which is suitable for applications to airships and other ellipse shaped bodies such as elliptical balloons. The thermal characteristics of a stratospheric airship in midsummer located in the north hemisphere are numerical studied. The helium temperature predicated using the new correlation is compared to those predicted by correlations applicable for spheres and flat plates. The results show that the helium temperature obtained using the new correlation at noon is about 5.4 K lower than that using the correlation of spheres and about 2.1 K higher than that of flat plates.

  1. Effective Hamiltonians of 2D Spin Glass Clusters

    NASA Astrophysics Data System (ADS)

    Clement, Colin; Liarte, Danilo; Middleton, Alan; Sethna, James

    2015-03-01

    We have a method for directly identifying the clusters which are thought to dominate the dynamics of spin glasses. We also have a method for generating an effective Hamiltonian treating each cluster as an individual spin. We used these methods on a 2D Ising spin glass with Gaussian bonds. We study these systems by generating samples and correlation functions using a combination of Monte Carlo and high-performance numerically exact Pfaffian methods. With effective cluster Hamiltonians we can calculate the free energy asymmetry of the original clusters and perform a scaling analysis. The scaling exponents found are consistent with Domain-Wall Renormalization Group methods, and probe all length scales. We can also study the flow of these effective Hamiltonians by clustering the clustered spins, and we find that our hard spin Hamiltonians at high temperature retain accurate low-temperature fluctuations when compared to their parent models.

  2. The antibacterial activity of some sulfonamides and sulfonyl hydrazones, and 2D-QSAR study of a series of sulfonyl hydrazones

    NASA Astrophysics Data System (ADS)

    Aslan, H. Güzin; Özcan, Servet; Karacan, Nurcan

    2012-12-01

    Benzenesulfonicacid-1-methylhydrazide (1) and its four aromatic sulfonyl hydrazone derivatives (1a-1d), N-(3-amino-2-hydroxypropyl)benzene sulfonamide (2) and N-(2-hydroxyethyl)benzenesulfonamide (3) were synthesized and their structures were determined by IR, 1H NMR, 13C NMR, and LCMS techniques. Antibacterial activities of new synthesized compounds were evaluated against various bacteria strains by microdilution and disk diffusion methods. The experimental results show that presence of OH group on sulfonamides reduces the antimicrobial activity, and antimicrobial activities of the sulfonyl hydrazones (1a-1d) are smaller than that of the parent sulfonamide (1), except Candida albicans. In addition, 2D-QSAR analysis was performed on 28 aromatic sulfonyl hydrazones as antimicrobial agents against Escherichia coli and Staphylococcus aureus. In the QSAR models, the most important descriptor is total point-charge component of the molecular dipole for E. coli, and partial negative surface area (PNSA-1) for S. aureus.

  3. High-resolution infrared study of AsH 2D: The stretching fundamental bands ν1/ ν5 and ν2

    NASA Astrophysics Data System (ADS)

    Ulenikov, O. N.; Bekhtereva, E. S.; Yukhnik, Yu. B.; Vershinina, O. G.; Jerzembeck, W.; Bürger, H.

    2008-11-01

    High-resolution (ca. 0.0025 cm -1) Fourier transform infrared spectra of AsH 2D were recorded in the regions of the As-H and As-D stretching fundamental bands ν1/ ν5 and ν2, respectively, and analyzed. Strong resonance interactions between the bands ν1 and ν5, and also between the band ν2 and the bending overtone band 2 ν4 were established. From transitions observed in the ν1 and ν5 bands ground state rotational energies for larger values of rotational quantum numbers than previously available could be determined. Thereof improved ground state rotational parameters were derived. More than 3200 assigned transitions corresponding to 1059 upper state energy levels which were almost equally distributed over the three stretching states were fitted with an rms-deviation of 0.00031 cm -1, which corresponds to experimental precision.

  4. Pyrrolo[3,2-d]pyrimidine derivatives as type II kinase insert domain receptor (KDR) inhibitors: CoMFA and CoMSIA studies.

    PubMed

    Wu, Xiao-Yun; Chen, Wen-Hua; Wu, Shu-Guang; Tian, Yuan-Xin; Zhang, Jia-Jie

    2012-01-01

    Kinase insert domain receptor (KDR) inhibitors have been proved to be very effective anticancer agents. Molecular docking, 3D-QSAR methods, CoMFA and CoMSIA were performed on pyrrolo[3,2-d]pyrimidine derivatives as non-ATP competitive KDR inhibitors (type II). The bioactive conformation was explored by docking one potent compound 20 into the active site of KDR in its DFG-out inactive conformation. The constructed CoMFA and CoMSIA models produced statistically significant results with the cross-validated correlation coefficients q(2) of 0.542 and 0.552, non-cross-validated correlation coefficients r(2) of 0.912 and 0.955, and predicted correction coefficients r(2) (pred) of 0.913 and 0.897, respectively. These results ensure the CoMFA and CoMSIA models as a tool to guide the design of a series of new potent KDR inhibitors.

  5. Guided ion beam and theoretical study of the reactions of Hf{sup +} with H{sub 2}, D{sub 2}, and HD

    SciTech Connect

    Hinton, Christopher S.; Armentrout, P. B.

    2010-09-28

    The kinetic energy dependences of reactions of the third-row transition metal cation Hf{sup +} with H{sub 2}, D{sub 2}, and HD were determined using a guided ion beam tandem mass spectrometer. A flow tube ion source produces Hf{sup +} in its {sup 2}D (6s{sup 2}5d{sup 1}) electronic ground state level. Corresponding state-specific reaction cross sections are obtained. The kinetic energy dependences of the cross sections for the endothermic formation of HfH{sup +} and HfD{sup +} are analyzed to give a 0 K bond dissociation energy of D{sub 0}(Hf{sup +}-H)=2.11{+-}0.08 eV. Quantum chemical calculations at several levels of theory performed here generally overestimate the experimental bond energy but results obtained using the Becke-half-and-half-LYP functional show good agreement. Theory also provides the electronic structures of these species and the reactive potential energy surfaces. Results from the reactions with HD provide insight into the reaction mechanisms and indicates that Hf{sup +} reacts via a statistical mechanism. We also compare this third-row transition metal system with the first-row and second-row congeners, Ti{sup +} and Zr{sup +}, and find that Hf{sup +} has a weaker M{sup +}-H bond. As most third-row transition metal hydride cation bonds exceed their lighter congeners, this trend is unusual but can be understood using promotion energy arguments.

  6. Binding of 7-methoxy-4-(aminomethyl)-coumarin to wild-type and W128F mutant cytochrome P450 2D6 studied by time-resolved fluorescence spectroscopy

    PubMed Central

    Stortelder, Aike; Keizers, Peter H. J.; Oostenbrink, Chris; De Graaf, Chris; De Kruijf, Petra; Vermeulen, Nico P. E.; Gooijer, Cees; Commandeur, Jan N. M.; Van Der Zwan, Gert

    2005-01-01

    Enzyme structure and dynamics may play a main role in substrate binding and the subsequent steps in the CYP (cytochrome P450) catalytic cycle. In the present study, changes in the structure of human CYP2D6 upon binding of the substrate are studied using steady-state and time-resolved fluorescence methods, focusing not only on the emission of the tryptophan residues, but also on emission of the substrate. As a substrate, MAMC [7-methoxy-4-(aminomethyl)-coumarin] was selected, a compound exhibiting native fluorescence. As well as the wild-type, the W128F (Trp128→Phe) mutant of CYP2D6 was studied. After binding, a variety of energy transfer possibilities exist, and molecular dynamics simulations were performed to calculate distances and relative orientations of donors and acceptors. Energy transfer from Trp128 to haem appeared to be important; its emission was related to the shortest of the three average tryptophan fluorescence lifetimes observed for CYP2D6. MAMC to haem energy transfer was very efficient as well: when bound in the active site, the emission of MAMC was fully quenched. Steady-state anisotropy revealed that besides the MAMC in the active site, another 2.4% of MAMC was bound outside of the active site to wild-type CYP2D6. The tryptophan residues in CYP2D6 appeared to be less accessible for the external quenchers iodide and acrylamide in presence of MAMC, indicating a tightening of the enzyme structure upon substrate binding. However, the changes in the overall enzyme structure were not very large, since the emission characteristics of the enzyme were not very different in the presence of MAMC. PMID:16190863

  7. Normalization and expression changes in predefined sets of proteins using 2D gel electrophoresis: A proteomic study of L-DOPA induced dyskinesia in an animal model of Parkinson's disease using DIGE

    PubMed Central

    Kultima, Kim; Scholz, Birger; Alm, Henrik; Sköld, Karl; Svensson, Marcus; Crossman, Alan R; Bezard, Erwan; Andrén, Per E; Lönnstedt, Ingrid

    2006-01-01

    Background Two-Dimensional Difference In Gel Electrophoresis (2D-DIGE) is a powerful tool for measuring differences in protein expression between samples or conditions. However, to remove systematic variability within and between gels the data has to be normalized. In this study we examined the ability of four existing and four novel normalization methods to remove systematic bias in data produced with 2D-DIGE. We also propose a modification of an existing method where the statistical framework determines whether a set of proteins shows an association with the predefined phenotypes of interest. This method was applied to our data generated from a monkey model (Macaca fascicularis) of Parkinson's disease. Results Using 2D-DIGE we analysed the protein content of the striatum from 6 control and 21 MPTP-treated monkeys, with or without de novo or long-term L-DOPA administration. There was an intensity and spatial bias in the data of all the gels examined in this study. Only two of the eight normalization methods evaluated ('2D loess+scale' and 'SC-2D+quantile') successfully removed both the intensity and spatial bias. In 'SC-2D+quantile' we extended the commonly used loess normalization method against dye bias in two-channel microarray systems to suit systems with three or more channels. Further, by using the proposed method, Differential Expression in Predefined Proteins Sets (DEPPS), several sets of proteins associated with the priming effects of L-DOPA in the striatum in parkinsonian animals were identified. Three of these sets are proteins involved in energy metabolism and one set involved proteins which are part of the microtubule cytoskeleton. Conclusion Comparison of the different methods leads to a series of methodological recommendations for the normalization and the analysis of data, depending on the experimental design. Due to the nature of 2D-DIGE data we recommend that the p-values obtained in significance tests should be used as rankings only. Individual

  8. Numerical solution to the Vlasov equation: The 2D code

    NASA Astrophysics Data System (ADS)

    Fijalkow, Eric

    1999-02-01

    The present code solves the two-dimensional Vlasov equation for a periodic in space system, in presence of an external magnetic field B O. The self coherent electric field given by Poisson equation is computed by Fast Fourier Transform (FFT). The output of the code consist of a list of diagnostics, such as total mass conservation, total momentum and energies, and of projections of the distribution function in different subspaces as the x- v x space, the x- y space and so on.

  9. Approaches to numerical solution of 2D Ising model

    NASA Astrophysics Data System (ADS)

    Soldatov, K. S.; Nefedev, K. V.; Kapitan, V. Yu; Andriushchenko, P. D.

    2016-08-01

    Parallel algorithm of partition function calculation of two-dimensional Ising model for systems with a finite number of spins was developed. Within a method of complete enumeration by using MPI technology with subsequent optimization of a parallel code time of calculations was reduced considerably. Partition function was calculated for systems of 16, 25, 36 Ising spins. Based on the obtained results, main thermodynamic and magnetic values dependences (such as heat capacity, magnetic susceptibility, mean square magnetization) for ferromagnetic and antiferromagnetic interactions was investigated. The analysis of a different configurations contribution showed, that states with the minimum energy have essential influence on dependences of thermodynamic values. Comparison with the results obtained by the Wang Landau algorithm was performed.

  10. 2D quasiperiodic plasmonic crystals

    PubMed Central

    Bauer, Christina; Kobiela, Georg; Giessen, Harald

    2012-01-01

    Nanophotonic structures with irregular symmetry, such as quasiperiodic plasmonic crystals, have gained an increasing amount of attention, in particular as potential candidates to enhance the absorption of solar cells in an angular insensitive fashion. To examine the photonic bandstructure of such systems that determines their optical properties, it is necessary to measure and model normal and oblique light interaction with plasmonic crystals. We determine the different propagation vectors and consider the interaction of all possible waveguide modes and particle plasmons in a 2D metallic photonic quasicrystal, in conjunction with the dispersion relations of a slab waveguide. Using a Fano model, we calculate the optical properties for normal and inclined light incidence. Comparing measurements of a quasiperiodic lattice to the modelled spectra for angle of incidence variation in both azimuthal and polar direction of the sample gives excellent agreement and confirms the predictive power of our model. PMID:23209871

  11. Valleytronics in 2D materials

    NASA Astrophysics Data System (ADS)

    Schaibley, John R.; Yu, Hongyi; Clark, Genevieve; Rivera, Pasqual; Ross, Jason S.; Seyler, Kyle L.; Yao, Wang; Xu, Xiaodong

    2016-11-01

    Semiconductor technology is currently based on the manipulation of electronic charge; however, electrons have additional degrees of freedom, such as spin and valley, that can be used to encode and process information. Over the past several decades, there has been significant progress in manipulating electron spin for semiconductor spintronic devices, motivated by potential spin-based information processing and storage applications. However, experimental progress towards manipulating the valley degree of freedom for potential valleytronic devices has been limited until very recently. We review the latest advances in valleytronics, which have largely been enabled by the isolation of 2D materials (such as graphene and semiconducting transition metal dichalcogenides) that host an easily accessible electronic valley degree of freedom, allowing for dynamic control.

  12. Extrinsic Cation Selectivity of 2D Membranes

    PubMed Central

    2017-01-01

    From a systematic study of the concentration driven diffusion of positive and negative ions across porous 2D membranes of graphene and hexagonal boron nitride (h-BN), we prove their cation selectivity. Using the current–voltage characteristics of graphene and h-BN monolayers separating reservoirs of different salt concentrations, we calculate the reversal potential as a measure of selectivity. We tune the Debye screening length by exchanging the salt concentrations and demonstrate that negative surface charge gives rise to cation selectivity. Surprisingly, h-BN and graphene membranes show similar characteristics, strongly suggesting a common origin of selectivity in aqueous solvents. For the first time, we demonstrate that the cation flux can be increased by using ozone to create additional pores in graphene while maintaining excellent selectivity. We discuss opportunities to exploit our scalable method to use 2D membranes for applications including osmotic power conversion. PMID:28157333

  13. Numerical study of the Azov Sea level seiche oscillations

    NASA Astrophysics Data System (ADS)

    Matishov, G. G.; Inzhebeikin, Yu. I.

    2009-08-01

    Seiche oscillations of the Azov Sea level are studied on the basis of the developed two-dimensional numerical hydrodynamic model grounded on the shallow water theory and recent data on the morphometric characteristics of the Sea of Azov. Frequency and spatial characteristics of the first five modes corresponding to seiche oscillations of the Azov Sea level are computed. It is shown that the frequency and spatial characteristics of the first five modes obtained for the Sea of Azov level changes correspond to seiche oscillations. The calculated parameters are compared with the field observations, which show their realistic character.

  14. Numerical study of nanoparticle formation in a free turbulent jet

    NASA Astrophysics Data System (ADS)

    Gilfanov, A. K.; Koch, W.; Zaripov, S. K.; Rybdylova, O. D.

    2016-11-01

    Di-ethyl-hexyl-sebacate (DEHS) aerosol nanoparticle formation in a free turbulent jet as a result of nucleation, condensation and coagulation is studied using fluid flow simulation and the method of moments under the assumption of lognormal particle size distribution. The case of high nucleation rates and the coagulation-controlled growth of particles is considered. The formed aerosol performance is jet is numerically investigated for the various nozzle diameters and two approximations of the saturation pressure dependence on the temperature. It is demonstrated that a higher polydispersity of the aerosol is obtained for smaller nozzle diameters.

  15. Numerical study of localization length in disordered graphene nanoribbons

    NASA Astrophysics Data System (ADS)

    Shokri, A. A.; Khoeini, F.

    2012-06-01

    In this work, we study quantum transport properties of a defective graphene nanoribbon (DGNR) attached to two semi-infinite metallic armchair graphene nanoribbon (AGNR) leads. A line of defects is considered in the GNR device with different configurations, which affects on the energy spectrum of the system. The calculations are based on the tight-binding model and Green's function method, in which localization length of the system is investigated, numerically. By controlling disorder concentration, the extended states can be separated from the localized states in the system. Our results may have important applications for building blocks in the nano-electronic devices based on GNRs.

  16. A numerical and experimental study of confined swirling jets

    NASA Technical Reports Server (NTRS)

    Nikjooy, M.; Mongia, H. C.; Samuelsen, G. S.; Mcdonell, V. G.

    1989-01-01

    A numerical and experimental study of a confined strong swirling flow is presented. Detailed velocity measurements are made using a two-component laser Doppler velocimeter (LDV) technique. Computations are performed using a differential second-moment (DSM) closure. The effect of inlet dissipation rate on calculated mean and turbulence fields is investigated. Various model constants are employed in the pressure-strain model to demonstrate their influences on the predicted results. Finally, comparison of the DSM calculations with the algebraic second-monent (ASM) closure results shows that the DSM is better suited for complex swirling flow analysis.

  17. Numerical study of river bedrock incision by bedload sediment transport.

    NASA Astrophysics Data System (ADS)

    Aubert, Guilhem; Langlois, Vincent

    2013-04-01

    Modelling approaches of bedload sediment transport have long been restricted to the detachment-limited and transport-limited regimes. However recent experimental and numerical studies have revealed the crucial influence of sediment load on the rate of bedrock incision [Sklar and Dietrich (2001), Lague(2010)] by abrasion which results in the competition between the tool effect and the cover effect. We present a numerical study of the interactions between a bedload layer and an underlying bedrock. We use molecular dynamics to simulate the motion of solid particles entrained by a laminar viscous flow. These simulations are based on a combination of discrete and continuous approaches. Sediment particles are modelled by hard spheres interacting through simple contact forces, whereas the fluid flow is described by a "mean field" model. This allows us to compute individual particle trajectories inside the active layer and therefore to predict the transfer of energy between grains and the bedrock. The effect of three control parameters has been studied : sediment density, flow discharge and bedrock rugosity. We determine the phase space domain where the system reaches a saltation regime and calculate the resulting erosion rate of the bedrock. Our model exhibits a competition between tool and cover effects. The results of this mechanistic approach are compared with available experimental data and existing stochastic models.

  18. Technical Review of the UNET2D Hydraulic Model

    SciTech Connect

    Perkins, William A.; Richmond, Marshall C.

    2009-05-18

    The Kansas City District of the US Army Corps of Engineers is engaged in a broad range of river management projects that require knowledge of spatially-varied hydraulic conditions such as velocities and water surface elevations. This information is needed to design new structures, improve existing operations, and assess aquatic habitat. Two-dimensional (2D) depth-averaged numerical hydraulic models are a common tool that can be used to provide velocity and depth information. Kansas City District is currently using a specific 2D model, UNET2D, that has been developed to meet the needs of their river engineering applications. This report documents a tech- nical review of UNET2D.

  19. 2-D or not 2-D, that is the question: A Northern California test

    SciTech Connect

    Mayeda, K; Malagnini, L; Phillips, W S; Walter, W R; Dreger, D

    2005-06-06

    Reliable estimates of the seismic source spectrum are necessary for accurate magnitude, yield, and energy estimation. In particular, how seismic radiated energy scales with increasing earthquake size has been the focus of recent debate within the community and has direct implications on earthquake source physics studies as well as hazard mitigation. The 1-D coda methodology of Mayeda et al. has provided the lowest variance estimate of the source spectrum when compared against traditional approaches that use direct S-waves, thus making it ideal for networks that have sparse station distribution. The 1-D coda methodology has been mostly confined to regions of approximately uniform complexity. For larger, more geophysically complicated regions, 2-D path corrections may be required. The complicated tectonics of the northern California region coupled with high quality broadband seismic data provides for an ideal ''apples-to-apples'' test of 1-D and 2-D path assumptions on direct waves and their coda. Using the same station and event distribution, we compared 1-D and 2-D path corrections and observed the following results: (1) 1-D coda results reduced the amplitude variance relative to direct S-waves by roughly a factor of 8 (800%); (2) Applying a 2-D correction to the coda resulted in up to 40% variance reduction from the 1-D coda results; (3) 2-D direct S-wave results, though better than 1-D direct waves, were significantly worse than the 1-D coda. We found that coda-based moment-rate source spectra derived from the 2-D approach were essentially identical to those from the 1-D approach for frequencies less than {approx}0.7-Hz, however for the high frequencies (0.7{le} f {le} 8.0-Hz), the 2-D approach resulted in inter-station scatter that was generally 10-30% smaller. For complex regions where data are plentiful, a 2-D approach can significantly improve upon the simple 1-D assumption. In regions where only 1-D coda correction is available it is still preferable over 2

  20. Stability of two-dimensional (2D) natural convection flows in air-filled differentially heated cavities: 2D/3D disturbances

    NASA Astrophysics Data System (ADS)

    Xin, Shihe; Le Quéré, Patrick

    2012-06-01

    Following our previous two-dimensional (2D) studies of flows in differentially heated cavities filled with air, we studied the stability of 2D natural convection flows in these cavities with respect to 3D periodic perturbations. The basis of the numerical methods is a time-stepping code using the Chebyshev spectral collocation method and the direct Uzawa method for velocity-pressure coupling. Newton's iteration, Arnoldi's method and the continuation method have been used in order to, respectively, compute the 2D steady-state base solution, estimate the leading eigenmodes of the Jacobian and perform linear stability analysis. Differentially heated air-filled cavities of aspect ratios from 1 to 7 were investigated. Neutral curves (Rayleigh number versus wave number) have been obtained. It turned out that only for aspect ratio 7, 3D stationary instability occurs at slightly higher Rayleigh numbers than the onset of 2D time-dependent flow and that for other aspect ratios 3D instability always takes place before 2D time-dependent flows. 3D unstable modes are stationary and anti-centro-symmetric. 3D nonlinear simulations revealed that the corresponding pitchfork bifurcations are supercritical and that 3D instability leads only to weak flow in the third direction. Further 3D computations are also performed at higher Rayleigh number in order to understand the effects of the weak 3D fluid motion on the onset of time-dependent flow. 3D flow structures are responsible for the onset of time-dependent flow for aspect ratios 1, 2 and 3, while for larger aspect ratios they do not alter the transition scenario, which was observed in the 2D cases and that vertical boundary layers become unstable to traveling waves.

  1. Numerical and Analytic Studies of Random-Walk Models.

    NASA Astrophysics Data System (ADS)

    Li, Bin

    We begin by recapitulating the universality approach to problems associated with critical systems, and discussing the role that random-walk models play in the study of phase transitions and critical phenomena. As our first numerical simulation project, we perform high-precision Monte Carlo calculations for the exponents of the intersection probability of pairs and triplets of ordinary random walks in 2 dimensions, in order to test the conformal-invariance theory predictions. Our numerical results strongly support the theory. Our second numerical project aims to test the hyperscaling relation dnu = 2 Delta_4-gamma for self-avoiding walks in 2 and 3 dimensions. We apply the pivot method to generate pairs of self-avoiding walks, and then for each pair, using the Karp-Luby algorithm, perform an inner -loop Monte Carlo calculation of the number of different translates of one walk that makes at least one intersection with the other. Applying a least-squares fit to estimate the exponents, we have obtained strong numerical evidence that the hyperscaling relation is true in 3 dimensions. Our great amount of data for walks of unprecedented length(up to 80000 steps), yield a updated value for the end-to-end distance and radius of gyration exponent nu = 0.588 +/- 0.001 (95% confidence limit), which comes out in good agreement with the renormalization -group prediction. In an analytic study of random-walk models, we introduce multi-colored random-walk models and generalize the Symanzik and B.F.S. random-walk representations to the multi-colored case. We prove that the zero-component lambdavarphi^2psi^2 theory can be represented by a two-color mutually -repelling random-walk model, and it becomes the mutually -avoiding walk model in the limit lambda to infty. However, our main concern and major break-through lies in the study of the two-point correlation function for the lambda varphi^2psi^2 theory with N > 0 components. By representing it as a two-color random-walk expansion

  2. Integrating Mobile Multimedia into Textbooks: 2D Barcodes

    ERIC Educational Resources Information Center

    Uluyol, Celebi; Agca, R. Kagan

    2012-01-01

    The major goal of this study was to empirically compare text-plus-mobile phone learning using an integrated 2D barcode tag in a printed text with three other conditions described in multimedia learning theory. The method examined in the study involved modifications of the instructional material such that: a 2D barcode was used near the text, the…

  3. Human erythrocytes analyzed by generalized 2D Raman correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Wesełucha-Birczyńska, Aleksandra; Kozicki, Mateusz; Czepiel, Jacek; Łabanowska, Maria; Nowak, Piotr; Kowalczyk, Grzegorz; Kurdziel, Magdalena; Birczyńska, Malwina; Biesiada, Grażyna; Mach, Tomasz; Garlicki, Aleksander

    2014-07-01

    The most numerous elements of the blood cells, erythrocytes, consist mainly of two components: homogeneous interior filled with hemoglobin and closure which is the cell membrane. To gain insight into their specific properties we studied the process of disintegration, considering these two constituents, and comparing the natural aging process of human healthy blood cells. MicroRaman spectra of hemoglobin within the single RBC were recorded using 514.5, and 785 nm laser lines. The generalized 2D correlation method was applied to analyze the collected spectra. The time passed from blood donation was regarded as an external perturbation. The time was no more than 40 days according to the current storage limit of blood banks, although, the average RBC life span is 120 days. An analysis of the prominent synchronous and asynchronous cross peaks allow us to get insight into the mechanism of hemoglobin decomposition. Appearing asynchronous cross-peaks point towards globin and heme separation from each other, while synchronous shows already broken globin into individual amino acids. Raman scattering analysis of hemoglobin "wrapping", i.e. healthy erythrocyte ghosts, allows for the following peculiarity of their behavior. The increasing power of the excitation laser induced alterations in the assemblage of membrane lipids. 2D correlation maps, obtained with increasing laser power recognized as an external perturbation, allows for the consideration of alterations in the erythrocyte membrane structure and composition, which occurs first in the proteins. Cross-peaks were observed indicating an asynchronous correlation between the senescent-cell antigen (SCA) and heme or proteins vibrations. The EPR spectra of the whole blood was analyzed regarding time as an external stimulus. The 2D correlation spectra points towards participation of the selected metal ion centers in the disintegration process.

  4. Model dielectric function for 2D semiconductors including substrate screening

    PubMed Central

    Trolle, Mads L.; Pedersen, Thomas G.; Véniard, Valerie

    2017-01-01

    Dielectric screening of excitons in 2D semiconductors is known to be a highly non-local effect, which in reciprocal space translates to a strong dependence on momentum transfer q. We present an analytical model dielectric function, including the full non-linear q-dependency, which may be used as an alternative to more numerically taxing ab initio screening functions. By verifying the good agreement between excitonic optical properties calculated using our model dielectric function, and those derived from ab initio methods, we demonstrate the versatility of this approach. Our test systems include: Monolayer hBN, monolayer MoS2, and the surface exciton of a 2 × 1 reconstructed Si(111) surface. Additionally, using our model, we easily take substrate screening effects into account. Hence, we include also a systematic study of the effects of substrate media on the excitonic optical properties of MoS2 and hBN. PMID:28117326

  5. Circular photogalvanic effect caused by the transitions between edge and 2D states in a 2D topological insulator

    NASA Astrophysics Data System (ADS)

    Magarill, L. I.; Entin, M. V.

    2016-12-01

    The electron absorption and the edge photocurrent of a 2D topological insulator are studied for transitions between edge states to 2D states. The circular polarized light is found to produce the edge photocurrent, the direction of which is determined by light polarization and edge orientation. It is shown that the edge-state current is found to exceed the 2D current owing to the topological protection of the edge states.

  6. Topographic site effects: numerical studies and a possible application to the regional Newmark approach

    NASA Astrophysics Data System (ADS)

    Torgoev, Almaz; Havenith, Hans-Balder

    2015-04-01

    2D elasto-dynamic modelling of the seismic response was performed with the UDEC software (ver. 4.01, ITASCA). The numerical studies have been performed for six models constructed from real topographic settings of the landslide-prone slopes situated in the Mailuu-Suu River Valley, Southern Kyrgyzstan. The main focus of our studies was the development of proxies for a regional mapping of topographic site effects. The main parameter we studied was the Arias Intensity (Ia). This parameter is applied to the GIS-based Newmark method, which regionally maps the seismically-induced landslide susceptibility. This method performs a mapping of the Ia values via empirical attenuation laws, which mainly account for the regional geometric spreading. An input of site effects is generally not included in these laws. While total site effects normally integrate both geologic and topographic inputs, our paper focuses only on the pure topographic effects. The numerical studies showed that the amplification of the Arias Intensity depends on two main factors: the frequency content of the input signal and the site settings. The first parameter can be predicted for wide areas through attenuation laws. With respect to the impact of site settings on Ia amplification, our studies show that convex surface morphologies with a longer baseline induce amplification in the low frequency domain, while those with a shorter baseline amplify the seismic shaking in the higher frequency domain. The link between topographic site amplification and the size of a surface morphology is identified. Those developed proxies are adapted for application in conventional GIS software platforms.

  7. Numerical Study of Low Emission Gas Turbine Combustor Concepts

    NASA Technical Reports Server (NTRS)

    Yang, Song-Lin

    2002-01-01

    To further reduce pollutant emissions, such as CO, NO(x), UHCs, etc., in the next few decades, innovative concepts of gas turbine combustors must be developed. Several concepts, such as the LIPP (Lean- Premixed- Prevaporized), RQL (Rich-Burn Quick-Quench Lean-Burn), and LDI (Lean-Direct-Injection), have been under study for many years. To fully realize the potential of these concepts, several improvements, such as inlet geometry, air swirler, aerothermochemistry control, fuel preparation, fuel injection and injector design, etc., must be made, which can be studied through the experimental method and/or the numerical technique. The purpose of this proposal is to use the CFD technique to study, and hence, to guide the design process for low emission gas turbine combustors. A total of 13 technical papers have been (or will be) published.

  8. Analytical and Numerical Studies of Several Fluid Mechanical Problems

    NASA Astrophysics Data System (ADS)

    Kong, D. L.

    2014-03-01

    In this thesis, three parts, each with several chapters, are respectively devoted to hydrostatic, viscous, and inertial fluids theories and applications. Involved topics include planetary, biological fluid systems, and high performance computing technology. In the hydrostatics part, the classical Maclaurin spheroids theory is generalized, for the first time, to a more realistic multi-layer model, establishing geometries of both the outer surface and the interfaces. For one of its astrophysical applications, the theory explicitly predicts physical shapes of surface and core-mantle-boundary for layered terrestrial planets, which enables the studies of some gravity problems, and the direct numerical simulations of dynamo flows in rotating planetary cores. As another application of the figure theory, the zonal flow in the deep atmosphere of Jupiter is investigated for a better understanding of the Jovian gravity field. An upper bound of gravity field distortions, especially in higher-order zonal gravitational coefficients, induced by deep zonal winds is estimated firstly. The oblate spheroidal shape of an undistorted Jupiter resulting from its fast solid body rotation is fully taken into account, which marks the most significant improvement from previous approximation based Jovian wind theories. High viscosity flows, for example Stokes flows, occur in a lot of processes involving low-speed motions in fluids. Microorganism swimming is such a typical case. A fully three dimensional analytic solution of incompressible Stokes equation is derived in the exterior domain of an arbitrarily translating and rotating prolate spheroid, which models a large family of microorganisms such as cocci bacteria. The solution is then applied to the magnetotactic bacteria swimming problem, and good consistency has been found between theoretical predictions and laboratory observations of the moving patterns of such bacteria under magnetic fields. In the analysis of dynamics of planetary

  9. Numerical Study of Pyrolysis of Biomass in Fluidized Beds

    NASA Technical Reports Server (NTRS)

    Bellan, Josette; Lathouwers, Danny

    2003-01-01

    A report presents a numerical-simulation study of pyrolysis of biomass in fluidized-bed reactors, performed by use of the mathematical model described in Model of Fluidized Bed Containing Reacting Solids and Gases (NPO-30163), which appears elsewhere in this issue of NASA Tech Briefs. The purpose of the study was to investigate the effect of various operating conditions on the efficiency of production of condensable tar from biomass. The numerical results indicate that for a fixed particle size, the fluidizing-gas temperature is the foremost parameter that affects the tar yield. For the range of fluidizing-gas temperatures investigated, and under the assumption that the pyrolysis rate exceeds the feed rate, the optimum steady-state tar collection was found to occur at 750 K. In cases in which the assumption was not valid, the optimum temperature for tar collection was found to be only slightly higher. Scaling up of the reactor was found to exert a small negative effect on tar collection at the optimal operating temperature. It is also found that slightly better scaling is obtained by use of shallower fluidized beds with greater fluidization velocities.

  10. Numerical Study of Rotating Turbulence with External Forcing

    NASA Technical Reports Server (NTRS)

    Yeung, P. K.; Zhou, Ye

    1998-01-01

    Direct numerical simulation at 256(exp 3) resolution have been carried out to study the response of isotropic turbulence to the concurrent effects of solid-body rotation and numerical forcing at the large scales. Because energy transfer to the smaller scales is weakened by rotation, energy input from forcing gradually builds up at the large scales, causing the overall kinetic energy to increase. At intermediate wavenumbers the energy spectrum undergoes a transition from a limited k(exp -5/3) inertial range to k(exp -2) scaling recently predicted in the literature. Although the Reynolds stress tensor remains approximately isotropic and three-components, evidence for anisotropy and quasi- two-dimensionality in length scales and spectra in different velocity components and directions is strong. The small scales are found to deviate from local isotropy, primarily as a result of anisotropic transfer to the high wavenumbers. To understand the spectral dynamics of this flow we study the detailed behavior of nonlinear triadic interactions in wavenumber space. Spectral transfer in the velocity component parallel to the axis of rotation is qualitatively similar to that in non-rotating turbulence; however the perpendicular component is characterized by a greatly suppressed energy cascade at high wavenumber and a local reverse transfer at the largest scales. The broader implications of this work are briefly addressed.

  11. Experimental and numerical study of open-air active cooling

    NASA Astrophysics Data System (ADS)

    Al-Fifi, Salman Amsari

    The topic of my thesis is Experimental and Numerical Study of Open Air Active Cooling. The present research is intended to investigate experimentally and Numerically the effectiveness of cooling large open areas like stadiums, shopping malls, national gardens, amusement parks, zoos, transportation facilities and government facilities or even in buildings outdoor gardens and patios. Our cooling systems are simple cooling fans with different diameters and a mist system. This type of cooling systems has been chosen among the others to guarantee less energy consumption, which will make it the most favorable and applicable for cooling such places mentioned above. In the experiments, the main focus is to study the temperature domain as a function of different fan diameters aerodynamically similar in different heights till we come up with an empirical relationship that can determine the temperature domain for different fan diameters and for different heights of these fans. The experimental part has two stages. The first stage is devoted to investigate the maximum range of airspeed and profile for three different fan diameters and for different heights without mist, while the second stage is devoted to investigate the maximum range of temperature and profile for the three different diameter fans and for different heights with mist. The computational study is devoted to built an experimentally verified mathematical model to be used in the design and optimization of water mist cooling systems, and to compare the mathematical results to the experimental results and to get an insight of how to apply such evaporative mist cooling for different places for different conditions. In this study, numerical solution is presented based on experimental conditions, such dry bulb temperature, wet bulb temperature, relative humidity, operating pressure and fan airspeed. In the computational study, all experimental conditions are kept the same for the three fans except the fan airspeed

  12. Theoretical studies on densities, stability and detonation properties of 2D polymeric complexes Cu(DAT)₂Cl₂ and its new analogues Zn(DAT)₂Cl₂.

    PubMed

    Shu, Yuanjie; Li, Huarong; Gao, Shijie; Xiong, Ying

    2013-04-01

    A novel environmentally friendly octahedrally coordinated 2D polymeric complexes bis(1,5-diaminotetrazole) -dichlorozinc(II) (Zn(DAT)2Cl2) was first designed based on the the crystal data of bis(1,5-diaminotetrazole)- dichlorocopper(II) (Cu(DAT)2Cl2). Density functional theory (DFT) was used to predict the optimized geometries at TPSSTPSS/6-311G(d, p) level. Densities and detonation properties were evaluated using the electron cloud enclosed volume and VLW equation of state (VLW EOS), respectively. Calculation results show that the density of Zn(DAT)2Cl2 (2.117 g · cm(-1)) is a bit more than that of Cu(DAT)2Cl2 (2.106 g · cm(-1)). The calculated high positive heat of formation (HOF) predicts that the stabilities of the title compounds decrease in the order Zn(DAT)2Cl2 > Cu(DAT)2Cl2, which agrees with the result of bond dissociation energies (BDE). Even though they have the same molecule structures, their first scission steps are different. Furthermore, the title two compounds show good detonation velocities and pressures compared with that of bis-(5-nitro-2H-tetrazolato-N (2)) tetraamminecobalt(III) perchlorates (BNCP), and they are potential candidates for high-energy-density materials (HEDM).

  13. Molecular docking studies of 1-(substituted phenyl)-3-(naphtha [1, 2-d] thiazol-2-yl) urea/thiourea derivatives with human adenosine A(2A) receptor.

    PubMed

    Azam, Faizul; Prasad, Medapati Vijaya Vara; Thangavel, Neelaveni; Ali, Hamed Ismail

    2011-01-01

    Computational assessment of the binding interactions of drugs is an important component of computer-aided drug design paradigms. In this perspective, a set of 30 1-(substituted phenyl)-3-(naphtha[1, 2-d] thiazol-2-yl) urea/thiourea derivatives showing antiparkinsonian activity were docked into inhibitor binding cavity of human adenosine A(2A) receptor (AA2AR) to understand their mode of binding interactions in silico. Lamarckian genetic algorithm methodology was employed for docking simulations using AutoDock 4.2 program. The results signify that the molecular docking approach is reliable and produces a good correlation coefficient (r(2) = 0.483) between docking score and antiparkinsonian activity (in terms of % reduction in catalepsy score). Potent antiparkinsonian agents carried methoxy group in the phenyl ring, exhibited both hydrophilic and lipophilic interactions with lower energy of binding at the AA(2A)R. These molecular docking analyses should, in our view, contribute for further development of selective AA(2A)R antagonists for the treatment of Parkinson's