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Sample records for 2d numerical study

  1. A numerical study on the thermal initiation of a confined explosive in 2-D geometry.

    PubMed

    Aydemir, Erdoğan; Ulas, Abdullah

    2011-02-15

    Insensitive munitions design against thermal stimuli like slow or fast cook-off has become a significant requirement for today's munitions. In order to achieve insensitive munitions characteristics, the response of the energetic material needs to be predicted against heating stimuli. In this study, a 2D numerical code was developed to simulate the slow and fast cook-off heating conditions of confined munitions and to obtain the response of the energetic materials. Computations were performed in order to predict the transient temperature distribution, the ignition time, and the location of ignition in the munitions. These predictions enable the designers to have an idea of when and at which location the energetic material ignites under certain adverse surrounding conditions. In the paper, the development of the code is explained and the numerical results are compared with available experimental and numerical data in the literature. Additionally, a parametric study was performed showing the effect of dimensional scaling of munitions and the heating rate on the ignition characteristics. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Comparison between experimental and 2-D numerical studies of multiple scattering in Inconel600 by means of array probes.

    PubMed

    Shahjahan, S; Rupin, F; Aubry, A; Chassignole, B; Fouquet, T; Derode, A

    2014-01-01

    Ultrasonic non-destructive testing of polycrystalline structures can be disturbed by scattering at grain boundaries. Understanding and modeling this so-called "structural noise" is crucial for characterization as well as detection purposes. Structural noise can be considered as a fingerprint of the material under investigation, since it contains information about its microstructure. The interpretation of experimental data necessitates an accurate comprehension of complex phenomena that occur in multiple scattering media and thus robust scattering models. In particular, numerical models can offer the opportunity to realize parametrical studies on controlled microstructures. However, the ability of the model to simulate wave propagation in complex media must be validated. In that perspective, the main objective of the present work is to evaluate the ability of the finite-element code ATHENA 2D to reproduce typical features of multiple wave scattering in the context of ultrasonic non-destructive evaluation, with an array of sources and receivers. Experiments were carried out with a 64-element array, around 2 MHz. The sample was a mock-up of Inconel600 exhibiting a coarse grain structure with a known grain size distribution. The numerical model of this microstructure is based on Voronoi diagrams. Two physical parameters were used to compare numerical and experimental data: the coherent backscattering peak, and the singular value distribution of the array response matrix. Though the simulations are 2-D, a good agreement was found between simulated and experimental data. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. A 2-D numerical simulation study on longitudinal solute transport and longitudinal dispersion coefficient

    NASA Astrophysics Data System (ADS)

    Zhang, Wei

    2011-07-01

    The longitudinal dispersion coefficient, DL, is a fundamental parameter of longitudinal solute transport models: the advection-dispersion (AD) model and various deadzone models. Since DL cannot be measured directly, and since its calibration using tracer test data is quite expensive and not always available, researchers have developed various methods, theoretical or empirical, for estimating DL by easier available cross-sectional hydraulic measurements (i.e., the transverse velocity profile, etc.). However, for known and unknown reasons, DL cannot be satisfactorily predicted using these theoretical/empirical formulae. Either there is very large prediction error for theoretical methods, or there is a lack of generality for the empirical formulae. Here, numerical experiments using Mike21, a software package that implements one of the most rigorous two-dimensional hydrodynamic and solute transport equations, for longitudinal solute transport in hypothetical streams, are presented. An analysis of the evolution of simulated solute clouds indicates that the two fundamental assumptions in Fischer's longitudinal transport analysis may be not reasonable. The transverse solute concentration distribution, and hence the longitudinal transport appears to be controlled by a dimensionless number ?, where Q is the average volumetric flowrate, Dt is a cross-sectional average transverse dispersion coefficient, and W is channel flow width. A simple empirical ? relationship may be established. Analysis and a revision of Fischer's theoretical formula suggest that ɛ influences the efficiency of transverse mixing and hence has restraining effect on longitudinal spreading. The findings presented here would improve and expand our understanding of longitudinal solute transport in open channel flow.

  11. 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.

  12. The role of lateral strength variations in collision dynamics: A 2D numerical study

    NASA Astrophysics Data System (ADS)

    Vogt, Katharina; Willingshofer, Ernst; Matenco, Liviu; Sokoutis, Dimitrios; Gerya, Taras; Cloetingh, Sierd

    2017-04-01

    When continents collide mountain ranges with high topographies and complex internal geometries are formed. Yet, the process by which crustal material is transported and redistributed within a mountain belt remains poorly constrained. Here we present a series of two-dimensional thermo-mechanical experiments to discuss the growth and evolution of mountain ranges under different conditions. The results show that continent collision may express itself in a variety of different crustal architectures, topographies, and deformation patterns, depending on the crustal rheology of the upper and lower plate. Upper plate indentation forms a sequence of foreland propagating thrust units on the lower plate and leads to minor back thrusting at the plate contact. The strong deformation of the lower plate stands in stark contrast to the undeformed upper plate. In contrast, subduction of strong lithosphere beneath a weak upper plate forms a complex pattern of deformation. Deformation initiates on the lower plate and forms an antiformal stack made of brittle upper crust. Successive accretion of thrust units forces the thrust system upwards and induces rotation, before it indents the upper plate. The outcome of this study provides important constraints for the rheological state of continents during collision and may improve our understanding of natural collisional systems, in particular the Alps and the Pyrenees.

  13. A Numerical Study of 2-D Surface Roughness Effects on the Growth of Wave Modes in Hypersonic Boundary Layers

    NASA Astrophysics Data System (ADS)

    Fong, Kahei Danny

    The current understanding and research efforts on surface roughness effects in hypersonic boundary-layer flows focus, almost exclusively, on how roughness elements trip a hypersonic boundary layer to turbulence. However, there were a few reports in the literature suggesting that roughness elements in hypersonic boundary-layer flows could sometimes suppress the transition process and delay the formation of turbulent flow. These reports were not common and had not attracted much attention from the research community. Furthermore, the mechanisms of how the delay and stabilization happened were unknown. A recent study by Duan et al. showed that when 2-D roughness elements were placed downstream of the so-called synchronization point, the unstable second-mode wave in a hypersonic boundary layer was damped. Since the second-mode wave is typically the most dangerous and dominant unstable mode in a hypersonic boundary layer for sharp geometries at a zero angle of attack, this result has pointed to an explanation on how roughness elements delay transition in a hypersonic boundary layer. Such an understanding can potentially have significant practical applications for the development of passive flow control techniques to suppress hypersonic boundary-layer transition, for the purpose of aero-heating reduction. Nevertheless, the previous study was preliminary because only one particular flow condition with one fixed roughness parameter was considered. The study also lacked an examination on the mechanism of the damping effect of the second mode by roughness. Hence, the objective of the current research is to conduct an extensive investigation of the effects of 2-D roughness elements on the growth of instability waves in a hypersonic boundary layer. The goal is to provide a full physical picture of how and when 2-D roughness elements stabilize a hypersonic boundary layer. Rigorous parametric studies using numerical simulation, linear stability theory (LST), and parabolized

  14. Preliminary 2D numerical modeling of common granular problems

    NASA Astrophysics Data System (ADS)

    Wyser, Emmanuel; Jaboyedoff, Michel

    2017-04-01

    Granular studies received an increasing interest during the last decade. Many scientific investigations were successfully addressed to acknowledge the ubiquitous behavior of granular matter. We investigate liquid impacts onto granular beds, i.e. the influence of the packing and compaction-dilation transition. However, a physically-based model is still lacking to address complex microscopic features of granular bed response during liquid impacts such as compaction-dilation transition or granular bed uplifts (Wyser et al. in review). We present our preliminary 2D numerical modeling based on the Discrete Element Method (DEM) using nonlinear contact force law (the Hertz-Mindlin model) for disk shape particles. The algorithm is written in C programming language. Our 2D model provides an analytical tool to address granular problems such as i) granular collapses and ii) static granular assembliy problems. This provides a validation framework of our numerical approach by comparing our numerical results with previous laboratory experiments or numerical works. Inspired by the work of Warnett et al. (2014) and Staron & Hinch (2005), we studied i) the axisymetric collapse of granular columns. We addressed the scaling between the initial aspect ratio and the final runout distance. Our numerical results are in good aggreement with the previous studies of Warnett et al. (2014) and Staron & Hinch (2005). ii) Reproducing static problems for regular and randomly stacked particles provides a valid comparison to results of Egholm (2007). Vertical and horizontal stresses within the assembly are quite identical to stresses obtained by Egholm (2007), thus demonstating the consistency of our 2D numerical model. Our 2D numerical model is able to reproduce common granular case studies such as granular collapses or static problems. However, a sufficient small timestep should be used to ensure a good numerical consistency, resulting in higher computational time. The latter becomes critical

  15. 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.

  16. Effect of the characteristics of granular media on dynamic penetration test - Numerical study using 2D - DEM

    NASA Astrophysics Data System (ADS)

    Tran, Quoc Anh; Chevalier, Bastien; Breul, Pierre

    2017-06-01

    The paper presents a numerical study on the influence of the properties of granular media on light dynamic penetration test results. A numerical model based on the Discrete Element Method (DEM) in 2 dimensions has been carried out. The model is able to reproduce the penetration tests in dynamic conditions. The model provide for each impact, the load-penetration curve that presents the evolution of reaction forces of granular media acting on the tip of the penetration test. The load - penetration curves are investigated in terms of tip resistance and analyzed by using the Discrete Fourier Transform in order to study the oscillations of the curves. The influence of the properties of granular media on the load-penetration curve has been investigated. We concentrated on the influence of particle friction and sample compacity. Besides the known results obtained in the literature by the dynamic tip resistance analysis for macroscopic response, we found that for a particle friction greater than 0.5, tip resistance and oscillations of signal are stable. Concerning the sample compacity, although variation of volume fraction is tight (ϕ = 0.817 - 0.844), a clear variation in terms of tip resistance and amplitude spectrum is highlighted.

  17. 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.

  18. 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.

  19. On the effects of assembly compression on the performance of liquid-feed DMFCs under methanol-limiting conditions: A 2D numerical study

    NASA Astrophysics Data System (ADS)

    García-Salaberri, P. A.; Vera, M.

    2015-07-01

    The influence of assembly compression on the performance of liquid-feed DMFCs under methanol-limiting conditions is explored by means of a 2D/1D multiphysics across-the-channel model. The numerical formulation incorporates a comprehensive 2D description of the anode GDL, including two-phase phenomena, non-uniform anisotropic transport properties, and electrical contact resistances at the GDL/BPP interface. GDL effective properties are evaluated using empirical data corresponding to Toray® carbon paper. A simplified but physically sound 1D description, locally coupled to the 2D anode GDL model, is adopted to describe transport processes in the MPLs, membrane and cathode GDL, whereas the catalyst layers are treated as infinitely thin surfaces. Good agreement is found between the numerical results and previous experimental data. The interplay between assembly compression, bipolar plate material, and channel configuration is also investigated. The results show that there is an optimum GDL compression ratio in terms of overall power density, the optimal compression level being strongly dependent on bipolar plate material. Beyond the optimum, the detrimental effect of compression is larger in non-parallel flow fields due to the additional reduction of methanol transported by under-rib convection. The results suggest that, under certain conditions, this transport mechanism could be more important than diffusion in the anode of liquid-feed DMFCs.

  20. Circumferential lesion formation around the pulmonary veins in the left atrium with focused ultrasound using a 2D-array endoesophageal device: a numerical study

    NASA Astrophysics Data System (ADS)

    Pichardo, Samuel; Hynynen, Kullervo

    2007-08-01

    Atrial fibrillation (AF) is the most frequently sustained cardiac arrhythmia affecting humans. The electrical isolation by ablation of the pulmonary veins (PVs) in the left atrium (LA) of the heart has been proven as an effective cure of AF. The ablation consists mainly in the formation of a localized circumferential thermal coagulation of the cardiac tissue surrounding the PVs. In the present numerical study, the feasibility of producing the required circumferential lesion with an endoesophageal ultrasound probe is investigated. The probe operates at 1 MHz and consists of a 2D array with enough elements (114 × 20) to steer the acoustic field electronically in a volume comparable to the LA. Realistic anatomical conditions of the thorax were considered from the segmentation of histological images of the thorax. The cardiac muscle and the blood-filled cavities in the heart were identified and considered in the sound propagation and thermal models. The influence of different conditions of the thermal sinking in the LA chamber was also studied. The circumferential ablation of the PVs was achieved by the sum of individual lesions induced with the proposed device. Different scenarios of lesion formation were considered where ultrasound exposures (1, 2, 5 and 10 s) were combined with maximal peak temperatures (60, 70 and 80 °C). The results of this numerical study allowed identifying the limits and best conditions for controlled lesion formation in the LA using the proposed device. A controlled situation for the lesion formation surrounding the PVs was obtained when the targets were located within a distance from the device in the range of 26 ± 7 mm. When combined with a maximal temperature of 70 °C and an exposure time between 5 and 10 s, this distance ensured preservation of the esophageal structures, controlled lesion formation and delivery of an acoustic intensity at the transducer surface that is compatible with existing materials. With a peak temperature of 70

  1. Different modes of continental break-up triggered by a sole mantle plume: a 2D and 3D numerical study

    NASA Astrophysics Data System (ADS)

    Beniest, Anouk; Koptev, Alexander; Leroy, Sylvie; Burov, Evgueni

    2017-04-01

    We used 2D and 3D numerical models to investigate the impact of a single mantle plume on continental rifting and breakup processes. We varied the thermo-rheological structure of the continental lithosphere, its geometry and the initial plume position. Based on the results of our 2D experiments, three continental break-up modes can be distinguished: A) 'central' continental break-up, the break-up center is located directly above the original mantle anomaly position, B) 'shifted' break-up, the break-up center is 50 to 200 km displaced from the initial plume location and C) 'distant' break-up, due to convection and/or slab-subduction/delamination, the break-up center is considerably shifted (300 to 800 km) from the primary plume position. Our 3D model, with a laterally homogeneous initial setup also results in continental break-up with the axis of continental break-up hundreds of kilometers shifted from the original plume location. The model results show that the classical, 'central' view of mantle plume induced continental break-up is not the only mode of break-up. When considering a diversity of break-up styles, it is possible to explain a variety of observed geophysical and geological features. For example, the mantle material glued to the base of the lithosphere at shallower depths corresponds geometrically and location-wise to high-velocity/high-density bodies observed on seismic data below the thinned continental lithosphere and the transition zone of the South Atlantic domain. During migration, products of partial melting of the mantle material can move vertically to (shallow) lower crustal levels. They might resemble high density bodies observed at lower crustal levels inside continental crust with similar geometries observed with gravity modelling. Also, topographic variation form in the very early stages of rifting on the first impingement of upwelled plume material. These variations remain visible, as the final position of the spreading center is shifted

  2. 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.

  3. 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.

  4. Numerical simulation of Flow Pressure Drop and Friction Factor of Water in 2D channel

    NASA Astrophysics Data System (ADS)

    Aya Baquero, H.; Camargo Casallas, L. H.

    2017-01-01

    The paper presents the results obtained from the numerical study of the dynamic properties of a straight channel 50 mm long and 780 μm wide on a 2D model. Numerical simulations were performed by using Navier-Stokes equation. The results showed a good agreement with experiments and other models. Pressure drop and friction factor of water in the channel in the studied ranges of Reynolds number are due to viscosity effects.

  5. 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.

  6. 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

  7. 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).

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Numerical simulations of interchange/tearing instabilities in 2D slab with a numerical model for edge plasma

    NASA Astrophysics Data System (ADS)

    Miura, Hideaki; Zheng, Linjin; Horton, Wendell

    2017-09-01

    Numerical simulations of interchange/tearing instabilities in a 2D slab with a numerical model for edge plasma resistivity are carried out. Plasma outside the Last Closed Flux Surface (LCFS), or the scrape-off layer (SOL), can be characterized by open magnetic fields which terminate on the divertor plates in the outside. A numerical model with current diffusivity is developed to enforce a low-level saturated current profile in the SOL region as well as a current jump across the LCFS. The numerical simulations show that interchange modes can transform into tearing modes, as the current-interchange tearing modes which has been proposed by Zheng and Furukawa [Phys. Plasmas 17, 052508 (2010)]. An applicability of the model to the tokamak edge stability and ELM studies is discussed.

  13. 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.

  14. 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.

  15. Finger Counting and (2D:4D) Digit Ratio in Spatial-Numerical Association.

    PubMed

    Fabbri, Marco; Natale, Vincenzo

    2016-01-01

    It is reported that a canonical and cultural finger counting habit influences the spatial-numerical association. The digit ratio (the ratio between the lengths of the index and ring fingers as a putative indicator of prenatal androgen exposure) also plays an effect on space-number representation, reflecting a stronger left-to-right number representation in people with a short index finger and longer ring finger (i.e., 2D:4D ratio). It is unknown whether the finger counting habit and digit ratio have an effect on spatial-numerical association independently from each other or whether they interact with each other. In Study 1, the digit ratio and finger counting mapping were recorded in right handers. The participants performed number-to-position, digit string bisection, and physical line bisection tasks. In the number-to-position task, a finger counting effect was found, as well as a significant interaction between factors. A digit ratio effect was observed in the digit string bisection task. In Study 2, digit ratio and finger counting mapping were recorded in right and left handers. The results showed that the finger counting habit influenced the spatial biases in both numerical tasks. A significant interaction between finger counting and digit ratio was found in both numerical tasks when only the left hand was considered. The results are discussed considering the embodied nature of the spatial-numerical association. © The Author(s) 2015.

  16. 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.

  17. Numerical Investigation of Statistical Turbulence Effects on Beam Propagation through 2-D Shear Mixing Layer

    DTIC Science & Technology

    2010-03-01

    NUMERICAL INVESTIGATION OF STATISTICAL TURBULENCE EFFECTS ON BEAM PROPAGATION THROUGH 2-D SHEAR MIXING LAYER THESIS James C. Bowers, Captain, USAF...STATISTICAL TURBULENCE EFFECTS ON BEAM PROPAGATION THROUGH 2-D SHEAR MIXING LAYER THESIS Presented to the Faculty Department of Engineering Physics...robust method for calculating atmospheric turbulence effects on optical beam propagation, which could simplify similar approaches to chaotic aero-optical

  18. Quantifying Mixing and Scales of Heterogeneity in 2-D Numerical Models of Chaotic Mantle Mixing

    NASA Astrophysics Data System (ADS)

    Harris, A. C.; Naliboff, J.; Prytulak, J.; Vanacore, E.; Cooper, K. M.; Hart, S.; Kellogg, L. H.

    2006-12-01

    Fundamental to our understanding of geochemical reservoirs within the Earth's mantle is the concept of the scale and distribution of heterogeneity. Although many studies approach this concept qualitatively few have attempted a quantitative assessment. Through a collaborative effort at the CIDER (Cooperative Institute for Deep Earth Research) 2006 summer workshop, we applied a 2-D/1-D power spectral and statistical analysis, respectively, to the temperature field and passive tracer distribution within a 2-D numerical model of mantle convection. The resultant data provides a means to objectively describe the scales of mixing and heterogeneity within various model scenarios. The dynamic models used had a 1x10 aspect ratio, included temperature- and pressure-dependent viscosity, had a Rayleigh number of 10^7, and had both internal and basal heating. One end member case includes a layered structure for viscosity and thermal conductivity, with a sharp increase in the mid-mantle. Spectral analysis of the temperature fields indicates that power near the upper and lower boundary layers is concentrated in long-wavelength structures while in the mid-mantle the spectrum is broader. Layering the viscosity structure enhances this dichotomy, but does not isolate the upper from the lower mantle and does not necessarily lead to decreased mixing rates or efficiency. Preliminary results demonstrate that the overall particle distribution, measured as a function of the distance between particles, is not necessarily unimodal. Furthermore, at a given time step this distribution may become multimodal.

  19. A New Attempt of 2-D Numerical Ice Flow Model to Reconstruct Paleoclimate from Mountain Glaciers

    NASA Astrophysics Data System (ADS)

    Candaş, Adem; Akif Sarıkaya, Mehmet

    2017-04-01

    A new two dimensional (2D) numerical ice flow model is generated to simulate the steady-state glacier extent for a wide range of climate conditions. The simulation includes the flow of ice enforced by the annual mass balance gradient of a valley glacier. The annual mass balance is calculated by the difference of the net accumulation and ablation of snow and (or) ice. The generated model lets users to compare the simulated and field observed ice extent of paleoglaciers. As a result, model results provide the conditions about the past climates since simulated ice extent is a function of predefined climatic conditions. To predict the glacier shape and distribution in two dimension, time dependent partial differential equation (PDE) is solved. Thus, a 2D glacier flow model code is constructed in MATLAB and a finite difference method is used to solve this equation. On the other hand, Parallel Ice Sheet Model (PISM) is used to regenerate paleoglaciers in the same area where the MATLAB code is applied. We chose the Mount Dedegöl, an extensively glaciated mountain in SW Turkey, to apply both models. Model results will be presented and discussed in this presentation. This study was supported by TÜBİTAK 114Y548 project.

  20. Accelerating numerical modeling of wave propagation through 2-D anisotropic materials using OpenCL.

    PubMed

    Molero, Miguel; Iturrarán-Viveros, Ursula

    2013-03-01

    We present an implementation of the numerical modeling of elastic waves propagation, in 2D anisotropic materials, using the new parallel computing devices (PCDs). Our study is aimed both to model laboratory experiments and explore the capabilities of the emerging PCDs by discussing performance issues. In the experiments a sample plate of an anisotropic material placed inside a water tank is rotated and, for every angle of rotation it is subjected to an ultrasonic wave (produced by a large source transducer) that propagates in the water and through the material producing some reflection and transmission signals that are recording by a "point-like" receiver. This experiment is numerically modeled by running a finite difference code covering a set of angles θ∈[-50°, 50°], and recorded the signals for the transmission and reflection results. Transversely anisotropic and weakly orthorhombic materials are considered. We accelerated the computation using an open-source toolkit called PyOpenCL, which lets one to easily access the OpenCL parallel computation API's from the high-level programming environment of Python. A speedup factor over 19 using the GPU is obtained when compared with the execution of the same program in parallel using a CPU multi-core (in this case we use the 4-cores that has the CPU). The performance for different graphic cards and operating systems is included together with the full 2-D finite difference code with PyOpenCL. Copyright © 2012 Elsevier B.V. All rights reserved.

  1. 2D numerical simulation of the MEP energy-transport model with a finite difference scheme

    SciTech Connect

    Romano, V. . E-mail: romano@dmi.unict.it

    2007-02-10

    A finite difference scheme of Scharfetter-Gummel type is used to simulate a consistent energy-transport model for electron transport in semiconductors devices, free of any fitting parameters, formulated on the basis of the maximum entropy principle. Simulations of silicon n{sup +}-n-n{sup +} diodes, 2D-MESFET and 2D-MOSFET and comparisons with the results obtained by a direct simulation of the Boltzmann transport equation and with other energy-transport models, known in the literature, show the validity of the model and the robustness of the numerical scheme.

  2. 2D Numerical Simulation of Fluvial Hydrodynamics and Bed Morphological Changes

    NASA Astrophysics Data System (ADS)

    Safarzadeh, A.; Neyshabouri, A. A. Salehi; Dehkordi, A. N.

    2009-08-01

    In this paper, the application of numerical simulation for Computational Fluid Dynamics (CFD) in river Hydrodynamics is represented. In this regard, a case study was carried out in an intended area along the Karoun River-Iran, using the CFD model, CCHE-2D. After giving the geometry domain of the field under the study, the depth-averaged Reynolds approximation of the Navier-Stokes equations, were employed to solve the flow field. Furthermore, the standard k-ɛ turbulence model was used to simulate Reynolds's shear stresses and to close the governing equation systems. A finite element procedure was used in order to solve the equations. Applied equations were used to consider the effects of secondary flows on flow field at meandering reaches. The sedimentary transport assuming non-uniform material at a non-equilibrium state was calculated. The depth-integrated convection-diffusion equation of the suspended load transport and the continuity equation of bed load were solved. When the non-equilibrium transport model is adopted for bed load, the calculation of bed change determined by the overall sediment continuity equation. To verify the numerical results, Stage-Discharge curves resulted from the numerical simulation was compared with the measured data at the Karoun hydrometric station and the qualitative erosion pattern is compared with the river sedimentary process. Comparisons show the results balance. The data obtained also show that the used model has an efficient capability in river engineering simulations, especially in predicting flow field. Furthermore, the erosion and sedimentary pattern of the region show the high erosive characteristics of the studied area in the river against probable floods.

  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. 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.

  6. 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.

  7. 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.

  8. Numerical Investigation of Penning Discharge Characteristics using 2D/3V Particle-In-Cell Method

    NASA Astrophysics Data System (ADS)

    Dikalyuk, A. S.; E Kuratov, S.

    2017-02-01

    Numerical model for the simulation of characteristics of Penning discharge is presented in the paper. The model is based on the 2D/3V axisymmetric electrostatic particle-in-cell algorithm implemented on unstructured triangular meshes. In order to simulate kinetic processes in the gas discharge plasma Monte-Carlo collision (MCC) method was incorporated into the model. Considered processes for the numerical experiments are elastic scattering of electrons on the neutral particles and ionization of neutral particles by electrons. Using this model various characteristics of Penning discharge such as anode and cathode currents, distribution of charged components in the discharge chamber have been calculated at various applied voltages and magnetic flux densities. The results of numerical experiments have been analyzed and discussed.

  9. 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.

  10. Why Do Slow Earthquakes Occur Favorably in Hot Subduction Zones? : 2D Numerical Analysis

    NASA Astrophysics Data System (ADS)

    Yamashita, T.; Schubnel, A.

    2014-12-01

    It is puzzling why slow earthquakes occur in hot subduction zones only. We study numerically how antigorite dehydration coupled with slip-induced dilatancy and thermal pressurization affects rupture behavior to solve the above puzzle. Recent related studies actually suggest importance of antigorite dehydration. We assume faulting in a 2D thermoporoelastic medium. The mineral reaction is assumed using a first order Arrhenius law. Nondimensional parameters important in the modeling are Su, Su' and X' according to our former study; Su' and Su are proportional to permeability and increase rate of slip-induced porosity. X' denotes volume change induced by the reaction. Our calculation shows that moment release rate and fault tip growth rate are smaller for larger values of Su, smaller values of X' or smaller values of Su'. These two rates are found to be negligibly small compared with the solutions for the dynamic elasticity analysis when Su>1 and X'<0 are satisfied. Slow sustained fault growth occurs for such values of Su and X'. This suggests that Su>1 and X'<0 are satisfied at hot subduction zones; the condition X'<0 is consistent with the reaction expected at hot subduction zones. In cold subduction zones however, antigorite dehydration will occur at depth greater than 60km, with -0.1

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. Isotopic fractionation of gases during its migration: experiments and 2D numerical simulation

    NASA Astrophysics Data System (ADS)

    Kara, S.; Prinzhofer, A.

    2003-04-01

    Several works have been developed in the last decade on the experimental isotope fractionation of gases during migration (Prinzhofer et al., 1997 and Zhang &Krooss, 2001 among others). We add to these results new experiments on diffusion of CO_2, which becomes currently a crucial subject for environmental purpose. Our experiments showed that transport by diffusion of CO_2 through a water saturated shale induces a significant and systematic carbon isotopic fractionation with heavier (13C enriched) CO_2 migrating first. In all experiments, significant isotope fractionation was found but still remains without quantitative interpretation. To interpret these data, we developed a 2D numerical model at the pore scale. The general principle of this model is the study of transport by water solubilization/diffusion of gas in a capillary saturated with water with two different media : a mobile zone representing free water and a immobile zone representing bounded water. The model takes also into account solubilization coefficients of gas in water, as well as the migration distance and the volume of upstream and downstream reservoirs. Using our numerical model, we could reproduce the evolution of isotopic fractionations and the velocity of CO_2 migration versus the production factor F (proportion of diffused gas). We determined some physical parameters of the porous medium (bentonite) which are not directly measurable at the present time. Furthermore, we used these parameters to reproduce the curves of isotopic fractionation obtained by Pernaton (1998) on methane migration with the same porous rock. We used also a modified version of this model with infinite reservoirs to reproduce the curves of isotopic fractionation of Zhang &Krooss (2001). Application of this model to geological scale is under progress, in order to implement it into sedimentary basins modelling. REFERENCES: Zhang T. and Krooss M. (2001). Geochim. Cosmochim. Acta, Vol. 65, No.16, pp. 2723-2742. Pernaton E

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 2D numerical analysis of energy harvesting in oscillating heat pipe using piezoelectric transducers

    NASA Astrophysics Data System (ADS)

    Vaidya, Sajiree; Myers, Oliver; Thompson, Scott; Shamsaei, Nima; Monroe, John G.

    2017-04-01

    Energy Harvesting is a powerful process that deals with exploring different possible ways of converting energy dispersed in the environment into more useful form of energy, essentially electrical energy. Piezoelectric materials are known for their ability of transferring mechanical energy into electrical energy or vice versa. Our work takes advantage of piezoelectric material's properties to covert thermal energy into electrical energy in an oscillating heat pipe. Specific interest in an oscillating heat pipe has relevance to energy harvesting for low power generation suitable for remote electronics operation as well as low-power heat reclamation for electronic packaging. The aim of this paper is develop a 2D multi-physics design analysis model that aids in predicting electrical power generation inherent to an oscillating heat pipe. The experimental design shows a piezoelectric patch with fixed configuration, attached inside an oscillating heat pipe and its behavior when subjected to the oscillating fluid pressure was observed. Numerical analysis of the model depicting the similar behavior was done using a multiphysics FEA software. The numerical model consists of a threeway physics interaction that takes into account fluid flow, solid mechanics, and electrical response of the harvester circuit.

  1. 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.

  2. Application of Four-Point Newton-EGSOR iteration for the numerical solution of 2D Porous Medium Equations

    NASA Astrophysics Data System (ADS)

    Chew, J. V. L.; Sulaiman, J.

    2017-09-01

    Partial differential equations that are used in describing the nonlinear heat and mass transfer phenomena are difficult to be solved. For the case where the exact solution is difficult to be obtained, it is necessary to use a numerical procedure such as the finite difference method to solve a particular partial differential equation. In term of numerical procedure, a particular method can be considered as an efficient method if the method can give an approximate solution within the specified error with the least computational complexity. Throughout this paper, the two-dimensional Porous Medium Equation (2D PME) is discretized by using the implicit finite difference scheme to construct the corresponding approximation equation. Then this approximation equation yields a large-sized and sparse nonlinear system. By using the Newton method to linearize the nonlinear system, this paper deals with the application of the Four-Point Newton-EGSOR (4NEGSOR) iterative method for solving the 2D PMEs. In addition to that, the efficiency of the 4NEGSOR iterative method is studied by solving three examples of the problems. Based on the comparative analysis, the Newton-Gauss-Seidel (NGS) and the Newton-SOR (NSOR) iterative methods are also considered. The numerical findings show that the 4NEGSOR method is superior to the NGS and the NSOR methods in terms of the number of iterations to get the converged solutions, the time of computation and the maximum absolute errors produced by the methods.

  3. 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.

  4. 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.

  5. 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.

  6. Comparison of 2D numerical models for river flood hazard assessment: simulation of the Secchia River flood in January, 2014

    NASA Astrophysics Data System (ADS)

    Shustikova, Iuliia; Domeneghetti, Alessio; Neal, Jeffrey; Bates, Paul; Castellarin, Attilio

    2017-04-01

    Hydrodynamic modeling of inundation events still brings a large array of uncertainties. This effect is especially evident in the models run for geographically large areas. Recent studies suggest using fully two-dimensional (2D) models with high resolution in order to avoid uncertainties and limitations coming from the incorrect interpretation of flood dynamics and an unrealistic reproduction of the terrain topography. This, however, affects the computational efficiency increasing the running time and hardware demands. Concerning this point, our study evaluates and compares numerical models of different complexity by testing them on a flood event that occurred in the basin of the Secchia River, Northern Italy, on 19th January, 2014. The event was characterized by a levee breach and consequent flooding of over 75 km2 of the plain behind the dike within 48 hours causing population displacement, one death and economic losses in excess of 400 million Euro. We test the well-established TELEMAC 2D, and LISFLOOD-FP codes, together with the recently launched HEC-RAS 5.0.3 (2D model), all models are implemented using different grid size (2-200 m) based on the 1 m digital elevation model resolution. TELEMAC is a fully 2D hydrodynamic model which is based on the finite-element or finite-volume approach. Whereas HEC-RAS 5.0.3 and LISFLOOD-FP are both coupled 1D-2D models. All models are calibrated against observed inundation extent and maximum water depths, which are retrieved from remotely sensed data and field survey reports. Our study quantitatively compares the three modeling strategies highlighting differences in terms of the ease of implementation, accuracy of representation of hydraulic processes within floodplains and computational efficiency. Additionally, we look into the different grid resolutions in terms of the results accuracy and computation time. Our study is a preliminary assessment that focuses on smaller areas in order to identify potential modeling schemes

  7. Double-2D: an innovative numerical procedure for the thermal performance evaluation of actively cooled components

    NASA Astrophysics Data System (ADS)

    Merola, Mario

    1993-02-01

    An innovative diverter concept for a thermonuclear fusion reactor is being studied at the Institute for Advanced Materials of the Joint Research Centre of the European Communities. It is made of a single material, an ultrahigh thermal conductivity carbon fiber reinforced graphite (CFC) composite; the coolant is helium gas. When looking at the new diverter concept, it is necessary to make several numerical calculations in order to investigate the influence of the various parameters to be optimized. This paper shows a new numerical procedure which has been developed to avoid a complete 3D-calculation.

  8. 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

  9. 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.

  10. 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

  11. A global database of seismically and non-seismically triggered landslides for 2D/3D numerical modeling

    NASA Astrophysics Data System (ADS)

    Domej, Gisela; Bourdeau, Céline; Lenti, Luca; Pluta, Kacper

    2017-04-01

    Landsliding is a worldwide common phenomenon. Every year, and ranging in size from very small to enormous, landslides cause all too often loss of life and disastrous damage to infrastructure, property and the environment. One main reason for more frequent catastrophes is the growth of population on the Earth which entails extending urbanization to areas at risk. Landslides are triggered by a variety and combination of causes, among which the role of water and seismic activity appear to have the most serious consequences. In this regard, seismic shaking is of particular interest since topographic elevation as well as the landslide mass itself can trap waves and hence amplify incoming surface waves - a phenomenon known as "site effects". Research on the topic of landsliding due to seismic and non-seismic activity is extensive and a broad spectrum of methods for modeling slope deformation is available. Those methods range from pseudo-static and rigid-block based models to numerical models. The majority is limited to 2D modeling since more sophisticated approaches in 3D are still under development or calibration. However, the effect of lateral confinement as well as the mechanical properties of the adjacent bedrock might be of great importance because they may enhance the focusing of trapped waves in the landslide mass. A database was created to study 3D landslide geometries. It currently contains 277 distinct seismically and non-seismically triggered landslides spread all around the globe whose rupture bodies were measured in all available details. Therefore a specific methodology was developed to maintain predefined standards, to keep the bias as low as possible and to set up a query tool to explore the database. Besides geometry, additional information such as location, date, triggering factors, material, sliding mechanisms, event chronology, consequences, related literature, among other things are stored for every case. The aim of the database is to enable

  12. 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.

  13. 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.

  14. Some features of auroral electric fields as seen in 2D numerical simulations

    NASA Technical Reports Server (NTRS)

    Thiemann, H.; Singh, N.; Schunk, R. W.

    1984-01-01

    Results of 2D plasma simulations are presented and related to auroral observations. The formation of V-shaped potentials is studied with a 2 1/2 dimensional electrostatic particle-in-cell code for a magnetized plasma. It is shown that amplitudes for perpendicular electric fields are larger than for parallel electric fields, and for Te less than 100 eV, the amplitudes are comparable to the electric fields associated with the electrostatic shocks observed from the S3-3 satellite. The excitation of electrostatic ion-cyclotron EIC waves which occurs in the region below the parallel potential drop is discussed. In auroral plasmas EIC waves are observed above the V-shaped double layers in association with ion beams and field-aligned currents. The results also show that oppositely directed electric fields in the center and at the edges of the simulation region produce oppositely directed currents. Precipitating auroral ions in association with electron inverted-V events are seen by the DMSP-F6 satellite.

  15. 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.

  16. 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.

  17. 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.

  18. Study On Nonlinear effect In 2D Plastic Media

    NASA Astrophysics Data System (ADS)

    Wenjie, D.; Chen, X.

    2011-12-01

    Unlike the perfect elastic, homogeneous and isotropic model, the properties of real earth media are heterogeneous, plastic and anisotropic to a certain extend. To accurately simulate the strong ground motion in a basin, nonlinear or plastic effect should be considered in simulation. In this study, we use DRP/opt MacCormack non-staggered finite difference method to simulate 2D seismic wave propagation in anisotropic and plastic media. Compared with the traditional staggered grid FDM, this scheme is more accurate and more efficient. We focus on the nonlinear character of the sedimentary basin model. The preliminary ground motion results indicate that the energy of seismic wave has obvious nonlinear dissipation and irreversible deformations which is danger to buildings in the sedimentary basin.

  19. 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.

  20. Comparison between 2D and 3D Numerical Modelling of a hot forging simulative test

    SciTech Connect

    Croin, M.; Ghiotti, A.; Bruschi, S.

    2007-04-07

    The paper presents the comparative analysis between 2D and 3D modelling of a simulative experiment, performed in laboratory environment, in which operating conditions approximate hot forging of a turbine aerofoil section. The plane strain deformation was chosen as an ideal case to analyze the process because of the thickness variations in the final section and the consequent distributions of contact pressure and sliding velocity at the interface that are closed to the conditions of the real industrial process. In order to compare the performances of 2D and 3D approaches, two different analyses were performed and compared with the experiments in terms of loads and temperatures peaks at the interface between the dies and the workpiece.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

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

    SciTech Connect

    Svetov, Ivan; Maltseva, Svetlana; Polyakova, Anna

    2016-08-10

    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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 2D Numerical Modeling for Transducers with Combined Pseudospectral and Finite Difference Methods: Application to High Frequency Linear Arrays

    NASA Astrophysics Data System (ADS)

    Guiroy, Axel; Certon, Dominique; Boy, Philippe; Lethiecq, Marc; Levassort, Franck

    A 2D numerical model based on a hybrid finite-difference (FD) and pseudospectral (PS) method adapted to high frequency linear arrays is presented. This model, coupled with the DREAM toolbox, was used to simulate the 1-way radiation pattern in water of a 50 MHz linear array with 64 elements (at a focal distance of 10 mm). The influence of several parameters of the internal structure of the array on the radiation pattern was studied. The variation of element widths, kerf widths and kerf depths was evaluated on the main properties of the pressure field (i.e. spatial resolutions, sensitivity and depth of field) in the focal zone. These simulations were performed using experimental data previously measured for materials used and in particular for the PZT piezoelectric thick film. Results show that a trade-off can be found between the technological aspects (width of elements and kerf) and performance of the array. Finally, a kerfless configuration was evaluated and it is shown that this is also a viable option.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 2D Numerical Models of Ridge-Trench Collision: Implications for Slab Detachment Beneath Baja California

    NASA Astrophysics Data System (ADS)

    Burkett, E. R.; Billen, M. I.

    2008-12-01

    The approach of a buoyant spreading ridge to a subduction zone is a scenario that may lead to detachment of a subducted slab. Previous work has called upon the detachment process as a possible explanation for observed ridge abandonment and slab-window related magmatism in Baja CA/western Mexico, but such a scenario has not previously been tested using fully-dynamic numerical models. We use two-dimensional fully- dynamic models of ridge approach to a subduction zone to explore the dependence of detachment and resultant surface effects on subducted slab length, ridge-trench distance, spreading rate, and lithospheric yield strength. We find that our models, which include non-Newtonian rheology, demonstrate the following dynamics of ridge approach: (a) a decrease in subduction velocity as the ridge approaches the trench, (b) a shrinking surface plate that maintains a uniform subduction velocity, (c) rapid slab detachment at depths ranging from 55-95 km depth depending on the slab age (7-12 My) and (d) ridge abandonment distances of 125-225 km from the trench, and slab gap distances of 200-270 km from the trench. Slab gap distance is used as a proxy for the distance to a possible slab-window related magmatism. These results are consistent with observations in Baja CA, where detachment of the Cocos slab may explain abandonment of observed segments of the East Pacific Rise 50-200 km outboard of the trench and the presence of a non-arc magmatic pulse 100-250 km inboard of the trench, with geochemical signatures separate from that associated with the normal subduction history for the Farallon plate.

  1. 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.

  2. 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.

  3. 2D numerical modelling of fluid and melt percolation in the subduction zone

    NASA Astrophysics Data System (ADS)

    Dymkova, D.; Gerya, T.; Podladchikov, Y.

    2011-12-01

    Subducting slab dehydration and resulting aqueous fluid percolation triggers partial melting in the mantle wedge and is accompanied with the further melt percolation through the porous space to the region above the slab. This problem is a complex coupled chemical, thermal and mechanical process responsible for the magmatic arcs formation and change of the mantle wedge properties. We have created a two-dimensional model of a two-phase flow in a porous media solving a coupled Darcy-Stokes system of equations for two incompressible media for the case of visco-plastic rheology of solid matrix. Our system of equation is expanded for the high-porosity limits and stabilized it for the case of high porosity contrasts. Melting process is implemented according to the model of Katz (2003) where melting degree is a function of pressure, temperature, composition and water content. We use a finite-difference method with fully staggered grid in a combination with marker-in-cell technique for advection of fluid and solid phase. We performed a comparison with a benchmark of a thermal convection in a porous media in a bottom-heated box to verify the interdependency of Rayleigh and Nusselt numbers with a theoretical one. We have demonstrated the stability and robustness of the algorithm in case of strongly non-linear visco-plastic rheology of solid including cases with localization of both deformation and porous flow along spontaneously forming shear bands. We have checked our model for the forming of localized porous channels under a simple shear stress (channelling instability). Current work includes implementation of non-liner viscous rheology and elaboration on the setup of self-initiating subduction. Later we plan to include solid elasticity and fluid/solid compressibility. Also we have developed a full complexity system of equations for visco-elastic case and currently are working on numerical realisation of it to verify our simplifying assumptions for the general model

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

    USDA-ARS?s Scientific Manuscript database

    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...

  6. 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.

  7. 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.

  8. 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

  9. 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

  10. 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.

  11. 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.

  12. 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).

  13. 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.

  14. CYP2D6 pharmacogenetic and oxycodone pharmacokinetic association study in pediatric surgical patients.

    PubMed

    Balyan, Rajiv; Mecoli, Marc; Venkatasubramanian, Raja; Chidambaran, Vidya; Kamos, Nichole; Clay, Smokey; Moore, David L; Mavi, Jagroop; Glover, Chris D; Szmuk, Peter; Vinks, Alexander; Sadhasivam, Senthilkumar

    2017-03-01

    Oxycodone is partly metabolized to the active metabolite oxymorphone by hepatic CYP2D6 in the liver. Significant genetic variability in CYP2D6 activity affects oxymorphone formation. This study aimed to associate CYP2D6 genotype and oxycodone's metabolism. 30 children were administered oral oxycodone postoperatively. Plasma levels of oxycodone and oxymorphone, and CYP2D6 genotype were analyzed. CYP2D6 genotype and oxycodone metabolism phenotype were determined based on CYP2D6 total activity score (TAS) and metabolism phenotype: poor metabolizer (PM), intermediate metabolizer (IM), extensive metabolizer (EM) or ultrarapid metabolizer (UM). Compared with PM/IM subjects, significantly greater oxymorphone exposure was seen in EM subjects (p = 0.02 for Cmax, p = 0.016 for AUC0-6 and p = 0.026 for AUC0-24). Similarly, higher TAS value was found to be associated with greater oxymorphone exposure. Higher conversion of oxycodone to oxymorphone was observed in EM subjects compared with PM/IM subjects (p = 0.0007 for Cmax, p = 0.001 for AUC0-6 and p = 0.004 for AUC0-24). CYP2D6 phenotypes explain metabolism of oxycodone in children, and oxymorphone exposure is higher in CYP2D6 EM phenotype. Further studies are needed to predict the occurrence of adverse event and tailor oxycodone dose for a specific CYP2D6 phenotype.

  15. First principles study of 2D layered organohalide tin perovskites

    NASA Astrophysics Data System (ADS)

    Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio

    2017-06-01

    This article describes the structure and the electronic properties of a series of layered perovskites of a general formula (A+)2(SnX4)-2 where X = I, Br and A+ is an organic cation, either formamidinium, 1-methylimidazolium, or phenylethylammonium. For each system, two conformations are considered, with eclipsed or staggered stacking of the adjacent inorganic layers. Geometry optimizations are performed at the density functional theory level with generalized gradient approximation (GGA) functional and semiempirical correction for dispersion energies; band profiles and bandgaps are computed including both spin orbit coupling (SOC) and correlation (GW) effects through an additive scheme. The theoretical procedures are validated by reproducing the experimental data of a well known 3D tin iodide perovskite. The results, combined with the calculations previously reported on PbI4 analogues, allow us to discuss the effect of cation, metal, and halide substitution in these systems and in particular to explore the possibility of changing the electronic bandgap as required by different applications. The balance of SOC and GW effects depends on the chemical nature of the studied perovskites and strongly influences the value of the simulated bandgap.

  16. 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

  17. 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.

  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. 2D numerical flow modelling of a river confluence oriented to know geomorphic consequences of the backwater effect

    NASA Astrophysics Data System (ADS)

    Castelltort, F. Xavier; Ribé, Martí; Carles Balasch, J.; Bladé, Ernest

    2017-04-01

    A 2D numerical flow modelling of a river confluence has allowed the development of a method valuation of average discharge based on the backwater effect produced upstream of a natural channel constriction. The modelling allows the extension of the quantification up to Holocene palaeofloods. It is known that backwater effect produces an energetic rebound and increases water level upstream from a constriction by means of which it is possible to quantify discharges that pass through it. As a result of a periodic repetition of this effect in a river reach, sinuosity is generated to make room in the channel for downstream flow and for the backwater effect. The method consists of making a rating curve in the river constriction. The increment of volume added in the channel reach by sinuosity has to be calculated. The increment in water volume is the result of a problem of water storage in the channel reach, which is created by the arrival of a determined hydrograph. At this point, a hydrograph has to be simulated to fit the volume of water storage and the rating curve. What is relevant in order to apply the numerical model is determine the range of the backwater effect upstream from the constriction. Chow (1956) defined the end point of the backwater effect as the place where the rise in water begins to cause downstream damage. Generally, it is difficult to establish the position of the end point, especially in an average way, which it would be for formative palaeofloods. In special cases, as in the one presented, it is possible to calibrate the position of the end point in the upstream direction. This calibration can be established by means of a tributary also affected by this effect and which flows into the main river between the constriction and the end point. The river Ter, NE of Iberian Peninsula, has developed a high sinuosity pattern upstream from an important lithological constriction through which it leaves a strike valley (basin sink). By the analysis of the

  20. 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.

  1. Characterization, critical rainfall, and 2D-numerical modeling of Philippine non-volcanic debris flows from the December 2015 Typhoon Melor event

    NASA Astrophysics Data System (ADS)

    Llanes, F.

    2016-12-01

    On 15 December 2015, Typhoon Melor made landfall in Oriental Mindoro, Philippines, the eastern province of an island more than 120 km south of Manila. The typhoon brought heavy rains that generated debris flows in multiple watersheds in the municipality of Baco while subsequently triggering debris flows on the watersheds that lined the Digdig segment of the Philippine Fault in the provinces of Aurora and Nueva Ecija, more than 300 km north of Mindoro island. In this study, ground mapping and interviews were conducted in the affected watersheds of Baco, Dingalan in Aurora, as well as Bongabon, Gabaldon, and Laur in Nueva Ecija to determine the extent, lithology, and grain size distribution of the debris-flow deposits. IfSAR images acquired in 2013 and Landsat 8 satellite images were then utilized to determine the watershed characteristics of these areas and to identify the factors that triggered debris flows in each one. Global Satellite Mapping of Precipitation (GSMaP) data was then used to generate intensity-duration plots of the typhoon rainfall for each of the watersheds. Known global thresholds of debris flows and the time of debris-flow occurrence derived from interviews were graphed on the plots to determine the best fit to characterize the debris-flow events. IfSAR images used in characterizing the deposits were utilized to run Flow-R, a Matlab-compiled numerical model for regional scale debris-flow assessments. The same images were used to run FLO-2D, a flood-routing software that has been extensively used for mudflow simulations. Lastly, the IfSAR images were utilized to simulate Debris-2D, another debris flow simulation program. Results show that whereas Flow-R is better suited to assess the probability of debris flows on a larger area prior to an event, Debris-2D and FLO-2D can both generate a more detailed hazard map of an area. Between the two latter programs, Debris-2D can be better simulated even without prior knowledge of debris flows occurring in

  2. 2D numerical model for analysis of possible second-order interactions of ultrasonic waves with a presence of fluid and solid interface (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Demcenko, Andriejus; Mazilu, Michael; Wilson, Rab; Cooper, Jonathan M.

    2017-04-01

    Non-collinear ultrasonic wave mixing for nonlinear ultrasonics is used for various NDT&E applications to characterize structure/material state. Experiments are frequently conducted using immersion ultrasonic techniques. In this configuration various wave modes are generated at the fluid-solid interface. We have characterised this scenario experimentally and developed a 2D numerical model to analyse the influence of the interface on the possible second-order interactions of the ultrasonic waves. The model is based on the decomposition of the ultrasonic wave into a superposition of monochromatic plane waves. As these waves propagate through the interface and solid, their nonlinear interaction defines a flow of energy between the different modes. Using the Murnaghan's nonlinear interaction potential, we have studied the efficiency of this energy transfer as a function different geometrical parameters.

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

    SciTech Connect

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

    2015-04-14

    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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. CYP2D6 Genotype and Adjuvant Tamoxifen: Meta-Analysis of Heterogeneous Study Populations

    PubMed Central

    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

    2014-01-01

    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. PMID:24060820

  10. Calculating qP-wave traveltimes in 2-D TTI media by high-order fast sweeping methods with a numerical quartic equation solver

    NASA Astrophysics Data System (ADS)

    Han, Song; Zhang, Wei; Zhang, Jie

    2017-09-01

    A fast sweeping method (FSM) determines the first arrival traveltimes of seismic waves by sweeping the velocity model in different directions meanwhile applying a local solver. It is an efficient way to numerically solve Hamilton-Jacobi equations for traveltime calculations. In this study, we develop an improved FSM to calculate the first arrival traveltimes of quasi-P (qP) waves in 2-D tilted transversely isotropic (TTI) media. A local solver utilizes the coupled slowness surface of qP and quasi-SV (qSV) waves to form a quartic equation, and solve it numerically to obtain possible traveltimes of qP-wave. The proposed quartic solver utilizes Fermat's principle to limit the range of the possible solution, then uses the bisection procedure to efficiently determine the real roots. With causality enforced during sweepings, our FSM converges fast in a few iterations, and the exact number depending on the complexity of the velocity model. To improve the accuracy, we employ high-order finite difference schemes and derive the second-order formulae. There is no weak anisotropy assumption, and no approximation is made to the complex slowness surface of qP-wave. In comparison to the traveltimes calculated by a horizontal slowness shooting method, the validity and accuracy of our FSM is demonstrated.

  11. 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.

  12. 2D Numerical Investigation of the Laminar and Turbulent Flow Over Different Airfoils Using OpenFOAM

    NASA Astrophysics Data System (ADS)

    Rahimi, H.; Medjroubi, W.; Stoevesandt, B.; Peinke, J.

    2014-12-01

    The aim of this work is to assess the prediction capabilities of the turbulence models and the transition model kkl-ω available in OpenFOAM and to achieve a database of airfoil aerodynamical characteristics. The airfoils chosen for the simulations are FX 79-W- 15A and NACA 63-430, which are widely used in wind turbines. The numerically obtained lift and drag coefficients are compared with available experimental results. A quantitative and qualitative study is conducted to determine the influence of meshing strategies, computational time step together with interpolation and temporal schemes. Two Reynolds Averaged Navier- Stokes models (RANS models) are used, which are the k-ω SST model by Menter and the kkl-ω model (which involves transition modeling) by Walters and Davor.

  13. Recent Laboratory and Numerical Trailing Vortex Studies

    NASA Technical Reports Server (NTRS)

    Delisi, Donald P.; Greene, George C.; Robins, Robert E.; Singh, Raminder

    1996-01-01

    Results from two laboratory studies and two numerical studies are presented. In the first laboratory study, measurements of the strength of vortices from a three-dimensional (3-D) model wing are presented. The measurements follow the vortices as they evolve in time from a two-dimensional (2-D) line vortex pair to the development and migration of 3-D vortex rings. It is shown that the resulting vortex rings can contain up to 40 percent of the initial vortex circulation. Thus, the formation of vortex rings may not necessarily signal the end of the wake hazard to following aircraft. In the second laboratory study, we present the results of an experiment which shows how the spanwise drag distribution affects wake-vortex evolution. In this experiment, we modified the spanwise drag distribution on a model wing while keeping the total lift and drag constant. The results show that adding drag on or near the centerline of the wing has a larger effect than adding drag at or near the wingtips. These measurements complement the results of NASA studies in the 1970s. In the first numerical study, results of 3-D numerical calculations are presented which show that the vortex Reynolds number has a significant influence on the evolution and migration of wake vortices. When the Reynolds number is large, 3-D vortex rings evolve from the initially 2-D line vortex pairs. These vortex rings then migrate vertically. When the Reynolds number is lower, the transition of vorticity from 2-D to 3-D is delayed. When the Reynolds number is very low, the vortices never transition to 3-D, and the vertical migration is significantly reduced. It is suggested that this effect may have been important in previous laboratory wake-evolution studies. A second numerical study shows the influence that vertical wind shear can have on trailing vortex evolution.

  14. 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

  15. Experimental and numerical investigation of DNAPL infiltration and spreading in a 2-D sandbox by means of light transmission method

    NASA Astrophysics Data System (ADS)

    Zheng, F.; Shi, X.; Wu, J.; Gao, Y. W.

    2013-12-01

    Chlorinated solvents such as trichloroethene (TCE) and tetrachloroethene (PCE) are widespread groundwater contaminants often referred to as dense non-aqueous phase liquids (DNAPLs). Accuracy description of the spreading behavior and configuration for subsurface DNAPL migration is important, especially favourable for design effective remediation strategies. In this study, a 2-D experiment was conducted to investigate the infiltration behavior and spatial distribution of PCE in saturated porous media. Accusand 20/30 mesh sand (Unimin, Le Sueur, MN) was used as the background medium with two 70/80 and 60/70 mesh lenses embedded to simulate heterogeneous conditions. Dyed PCE of 100 ml was released into the flow cell at a constant rate of 2ml/min using a Harvard Apparatus syringe pump with a 50 ml glass syringe for two times, and 5 ml/min water was continuously injected through the inlet at the left side of the sandbox, while kept the same effluent rate at right side to create hydrodynamic condition. A light transmission (LT) system was used to record the migration of PCE and determine the saturation distribution of PCE in the sandbox experiment with a thermoelectrically air-cooled charged-coupled device (CCD) camera. All images were processed using MATLAB to calculate thickness-averaged PCE saturation for each pixel. Mass balance was checked through comparing injected known mounts of PCE with that calculated from LT analysis. Results showed that LT method is effective to delineate PCE migration pathways and quantify the saturation distribution. The relative errors of total PCE volumes calculated by LT analysis at different times were within 15% of the injected PCE volumes. The simulation are conducted using the multiphase modeling software T2VOC, which calibrated by the LT analysis results of three recorded time steps to fit with the complete spatial-temporal distribution of the PCE saturation. Model verification was then performed using the other eight recorded time

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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. Copyright © 2012 Elsevier B.V. All rights reserved.

  1. A comparative study of the point implicit schemes on solving the 2D time fractional cable equation

    NASA Astrophysics Data System (ADS)

    Balasim, Alla Tareq; Ali, Norhashidah Hj. Mohd.

    2017-08-01

    The time fractional cable equation is a fundamental equation used for modeling neuronal dynamics. The equation is obtained by substituting the first order time derivative in the standard equation with a Caputo fractional derivative of order α, where 0 < α < 1. In this paper, two implicit difference schemes, the fully implicit (FI) and the Crank-Nicolson (C-N) difference schemes are employed in solving the 2D time fractional cable equation (TFCE). A comparative study between these two schemes will be conducted via numerical experiments. The efficiency of the schemes in terms of accuracy and computing time will be reported and discussed.

  2. Progress report on muon catalyzed fusion studies in H2+D2 and HD gaseous targets

    NASA Astrophysics Data System (ADS)

    Aniol, K. A.; Margaziotis, D. J.; Noble, A. J.; Stanislaus, S.; Virtue, C. J.; Measday, D. F.; Horvath, D.; Robertson, B. C.; Salomon, M.; Jones, S. E.

    1988-12-01

    Gamma yields from the decay of the muonic molecule pdμ produced in muon-catalyzed fusion studies in H2+D2 and HD gaseous targets have been measured. The experiments have been performed at TRIUMF and the data is presented in this report. (AIP)

  3. Localized time-lapse elastic waveform inversion using wavefield injection and extrapolation: 2-D parametric studies

    NASA Astrophysics Data System (ADS)

    Yuan, Shihao; Fuji, Nobuaki; Singh, Satish; Borisov, Dmitry

    2017-06-01

    We present a methodology to invert seismic data for a localized area by combining source-side wavefield injection and receiver-side extrapolation method. Despite the high resolving power of seismic full waveform inversion, the computational cost for practical scale elastic or viscoelastic waveform inversion remains a heavy burden. This can be much more severe for time-lapse surveys, which require real-time seismic imaging on a daily or weekly basis. Besides, changes of the structure during time-lapse surveys are likely to occur in a small area rather than the whole region of seismic experiments, such as oil and gas reservoir or CO2 injection wells. We thus propose an approach that allows to image effectively and quantitatively the localized structure changes far deep from both source and receiver arrays. In our method, we perform both forward and back propagation only inside the target region. First, we look for the equivalent source expression enclosing the region of interest by using the wavefield injection method. Second, we extrapolate wavefield from physical receivers located near the Earth's surface or on the ocean bottom to an array of virtual receivers in the subsurface by using correlation-type representation theorem. In this study, we present various 2-D elastic numerical examples of the proposed method and quantitatively evaluate errors in obtained models, in comparison to those of conventional full-model inversions. The results show that the proposed localized waveform inversion is not only efficient and robust but also accurate even under the existence of errors in both initial models and observed data.

  4. 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.

  5. 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.

  6. 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

  7. Run-up of nonlinear long waves in bays of finite length: 1-D analytical theory and 2-D numerical computations

    NASA Astrophysics Data System (ADS)

    Pelinovsky, Efim; Harris, Matthew; Garayshin, Viacheslav; Nicolsky, Dmitry; Pender, John; Rybkin, Alexei

    2016-04-01

    Run-up of long waves in sloping bays is studied analytically in the framework of the 1-D nonlinear shallow-water theory. By assuming that the wave flow is uniform along the cross-section, the 2-D nonlinear shallow-water equations are reduced to a linear semi-axis variable-coefficient 1-D wave equation via the generalized Carrier-Greenspan transformation (Rybkin et al., JFM 2014). A spectral solution is developed by solving the linear semi-axis variable-coefficient 1-D equation via separation of variables and then applying the inverse Carrier-Greenspan transform. The shoreline dynamics in U-shaped and V-shaped bays are computed via a double integral through standard integration techniques. To compute the run-up of a given long wave a numerical method is developed to find the eigenfunction decomposition required for the spectral solution in the linearized system. The run-up of a long wave in a bathymetry characteristic of a narrow canyon is then examined.

  8. 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.

  9. 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.

  10. Numerical simulation of far field acoustics of an airfoil using vortex method and 2-D FW-H equation

    NASA Astrophysics Data System (ADS)

    Jia, S. H.; Yang, B.; Zhao, X. L.; Xu, J. Z.

    2013-12-01

    Airfoil self noise is the main noise source of large wind turbine blades and aircraft wings. Unsteady flow field of NACA0012 airfoil has been simulated numerically in this paper using vortex method, and validation has also been done. Far field acoustics of circular cylinder at Reynolds number equals 150, 200 and 2000 have been simulated and validated numerically in this paper, as unsteady load of target object being acoustic source. The result of far field acoustics of circular cylinder shows that the maximum sound pressure points are in the line perpendicular to the coming flow, which is consistent with other papers. And comparison with paper about NACA0012 airfoil at Re=200 shows that the directivity is in a good agreement. Work of this paper paves the way to further investigation of acoustics prediction of wind turbine blades.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Extracting a 2D wave field from a shore-based direction-finding HF radar through characteristic matching with a numerical wave model

    NASA Astrophysics Data System (ADS)

    Livermont, E. A.; Miller, J. K.; Herrington, T. O., Jr.

    2016-12-01

    Within the U.S., coastal ocean current mapping with HF radar has matured to the point where it is now considered an essential component of regional ocean observing systems. A Mid-Atlantic HF radar network now provides high-resolution coverage within five localized networks, which are linked together to cover the full range of the Mid-Atlantic coast. While the primary focus of these networks has been on offshore current mapping observations, a long-term objective has been to develop and evaluate nearshore waves. The wave measurements are obtained from the HF radar either by using empirically derived algorithms or by inverting a nonlinear integral equation describing the relationship between the power spectrum of the radar backscatter and the ocean wave directional spectrum. Several mathematical models for extracting the significant wave height from the radar backscatter have been devised. However, the wave characteristics extracted by the CODAR represent the average condition over an entire range cell (a key assumption for broad-beam systems is spectral homogeneity over the annular region). This leads to high errors when comparing the CODAR waves with point measurements such as ADCPs. In order to overcome this limitation and generate a 2D wave field with the SeaSondes, as new method is proposed where real-time wave and current characteristics are matched to a similar set of characteristics derived from a numerical model. A library of potential wave and current fields is created by running a coupled Delft3D FLOW and WAVE model (referred to as D3D) driven by the Wave Information Study (WIS) hindcast. The oceanographic variables (wave height, period and direction, current speed and direction, etc.) generated with the D3D model are averaged over the same areas as the CODAR measurements, in order to minimize errors caused by the spatial averaging inherent to the broad-beam, direction-finding radars. The real-time observations from the CODAR sites are then used to

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Study on Development of 1D-2D Coupled Real-time Urban Inundation Prediction model

    NASA Astrophysics Data System (ADS)

    Lee, Seungsoo

    2017-04-01

    In recent years, we are suffering abnormal weather condition due to climate change around the world. Therefore, countermeasures for flood defense are urgent task. In this research, study on development of 1D-2D coupled real-time urban inundation prediction model using predicted precipitation data based on remote sensing technology is conducted. 1 dimensional (1D) sewerage system analysis model which was introduced by Lee et al. (2015) is used to simulate inlet and overflow phenomena by interacting with surface flown as well as flows in conduits. 2 dimensional (2D) grid mesh refinement method is applied to depict road networks for effective calculation time. 2D surface model is coupled with 1D sewerage analysis model in order to consider bi-directional flow between both. Also parallel computing method, OpenMP, is applied to reduce calculation time. The model is estimated by applying to 25 August 2014 extreme rainfall event which caused severe inundation damages in Busan, Korea. Oncheoncheon basin is selected for study basin and observed radar data are assumed as predicted rainfall data. The model shows acceptable calculation speed with accuracy. Therefore it is expected that the model can be used for real-time urban inundation forecasting system to minimize damages.

  1. 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.

  2. Laboratory astrophysics: 2D and 3D numerical modeling of jets and flows produced in wire array experiments

    NASA Astrophysics Data System (ADS)

    Ciardi, A.; Lebedev, S. V.; Ampleford, D. J.; Chittenden, J. P.; Bland, S. N.; Sherlock, M.; Rapley, J.; Bott, S. C.; Jennings, C.

    2004-04-01

    Numerical modeling of jets formed in conical wire array Z-pinch experiments shows that scaled, astrophysically relevant flows can be obtained in the laboratory. These jets are hypersonic, with Mach number in excess of 20, are radiatively cooled and have a length to width ratio of ~ 1:10. Furthermore the jet formation mechanism is due to the hydrodynamic confinement of a standing conical shock, which redirects and collimates the converging plasma flow. The jets produced are also characterized by large Reynolds and Peclet numbers. Jet-wind interactions are modeled assuming a supersonically expanding radiatively ablated plasma wind. The jet bends away from the wind and it remains well collimated during and after the interaction, with the bending determined by the ram pressure of the impinging wind. A further development in wire array laboratory astrophysics experiments is the use of radial arrays, where the interaction of a ``freely'' expanding toroidal-like plasma cloud produces an axial collimated flow; subsequently a strong shock drives a supersonic, high density radiatively cooled ``bullet'' through this background medium.

  3. 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.

  4. 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.

  5. Ultrasonic wavefield inversion and migration in complex heterogeneous structures: 2D numerical imaging and nondestructive testing experiments.

    PubMed

    Nguyen, Luan T; Modrak, Ryan T

    2017-09-21

    Delaminations, cracks and other defects in engineered structures often lie close to the theoretical resolution limit for ultrasonic waves. While ultrasonic waveform tomography has succeeded in detecting such features, recovery is difficult because it requires computationally expensive high-frequency numerical wave simulations and an accurate understanding of large-scale background variations of the engineered structure. Without such knowledge, small defects may be incorrectly imaged or go undetected altogether. To reduce computational cost and improve detection of small defects, a useful approach is to divide the waveform tomography procedure into two steps: first, a low-frequency model-building step aimed at recovering background structure, and second, a high-frequency imaging step targeting defects. The first is naturally formulated as waveform inversion for wavespeed parameters and the second as time reversal migration for reflectivity. Through synthetic test cases, we show that the two-step workflow appears more promising in most cases than a single-step inversion. In particular, we find that new workflow succeeds in the challenging scenario where the defect lies along preexisting layer interface in a composite bridge deck and in related experiments involving noisy data or inaccurate source parameters. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. An experimental study: evaluating the tissue structure of penis with 2D-ShearWave™ Elastography.

    PubMed

    Qiao, X-H; Zhang, J-J; Gao, F; Li, F; Liu, Y; Xing, L-X; Du, L-F; Xing, J-F

    2017-01-01

    The aim of this study was to investigate the feasibility of two-dimensional-ShearWave™ Elastography (2D-SWE) on evaluating the change of tissue structure of penis. Twenty healthy male Sprague Dawley rats were divided into penis-developed group (PDG, 52 weeks) and penis-underdeveloped group (PUDG, 5 weeks). The ultrafast ultrasound device-Aixplorer® (SuperSonic Imagine) was used for 2D-SWE imaging of the penis, the measurement index was shear wave stiffness (SWS, kPa). All rat penises were cut off immediately after ultrasonic examination. After paraffin embedding, slicing and hematoxylin-eosin staining, the tissue structure of the penis was observed under light microscope. SWS of all rat penises were measured successfully. The results showed that SWS of PDG was significantly lower than PUDG (P=0.008). At the same time, the pathological results found that there were significant differences in the tissue structures (sinusoids, smooth muscle cells and fibrocytes) of the penises between the two groups. These results suggest that there are significant differences in SWS between different tissue structures of penis. 2D-SWE is expected to be used on the etiological diagnosis of erectile dysfunction by serving as a new noninvasive method of evaluating the change of tissue structure of penis.

  7. 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.

  8. 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.

  9. 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.

  10. 2D and 3D-QSAR studies on antiproliferative thiazolidine analogs

    NASA Astrophysics Data System (ADS)

    Liao, Si Yan; Qian, Li; Chen, Jin Can; Lu, Hai Liang; Zheng, Kang Cheng

    Two-dimensional (2D) and three-dimensional (3D) quantitative structure-activity relationships (QSARs) of 22 thiazolidine analogs with antiproliferative activity expressed as pIC50, which is defined as the negative value of the logarithm of necessary molar concentration of these compounds to cause 50% growth inhibition against melanoma cell lines WM-164, have been studied by using a combined method of the DFT, MM2 and statistics for 2D, as well as the comparative molecular field analysis (CoMFA) method for 3D. The established 2D-QSAR model in training set comprised of random 18 compounds shows not only significant statistical quality, but also predictive ability, with the square of adjusted correlation coefficient (R2A = 0.832) and the square of the cross-validation coefficient (q2 = 0.803). The same model was further applied to predict pIC50 values of the four compounds in the test set, and the resulting R2pred reaching 0.784, further confirms that this 2D-QSAR model has high predictive ability. The 3D-QSAR model also shows good correlative and predictive capabilities in terms of R2 (0.956) and q2 (0.615) obtained from CoMFA model. Further, the robustness of the CoMFA model was verified by bootstrapping analysis (100 runs) with R2bs (0.979) and SDbs (0.056). It is very interesting to find that the results from 2D- and 3D-QSAR analyses accord with each other, and they all show that the steric interaction plays a crucial role in determining the cytotoxicities of the compounds, and that selecting a moderate-size or appropriate-hydrophobicity substituent R as well as increasing the negative charges of C4 on phenyl ring at the same time are advantageous to improving the cytotoxicity. Such results can offer some useful theoretical references for directing the molecular design and understanding the action mechanism of this kind of compound with antiproliferative activity.

  11. Physico-chemical spectroscopic mapping of the planetary nebula NGC 40 and the 2D_NEB, a new 2D algorithm to study ionized nebulae

    NASA Astrophysics Data System (ADS)

    Leal-Ferreira, M. L.; Gonçalves, D. R.; Monteiro, H.; Richards, J. W.

    2011-02-01

    In this paper we present an analysis of the physical and chemical conditions of the planetary nebula NGC 40 through spatially resolved spectroscopic maps. We also introduce a new algorithm -2D_NEB- based on the well-established IRAF nebular package, which was developed to enable the use of the spectroscopic maps to easily estimate the astrophysical quantities of ionized nebulae. The 2D_NEB was benchmarked, and we clearly show that it works properly, since it compares nicely with the IRAF nebular software. Using this software, we derive the maps of several physical parameters of NGC 40. From these maps, we conclude that Te[N II] shows only a slight temperature variation from region to region, with its values constrained between ˜8000 and 9500 K. Electron densities, on the other hand, have a much more prominent spatial variation, as Ne[S II] values vary from ˜1000 to 3000 cm-3. Maps of the chemical abundances also show significant variations. From the big picture of our work, we strongly suggest that analysis with spatial resolution be mandatory for more complete study of the physical and chemical properties of planetary nebulae.

  12. Local mean consistency on numerical solutions of stochastic wave equation with cubic nonlinearities on 2D rectangles

    NASA Astrophysics Data System (ADS)

    Hazaimeh, Haziem M.

    2017-06-01

    In this article we study that the linear-implicit Euler method of the solution of nonlinear stochastic wave equation in 2 dimensions has the non-exploding explicit representation and is mean consistent. In [15], we proved that the strong Fourier solution of the semi-linear wave equations exists and is unique on an appropriate Hilbert space. A linear-implicit Euler method is used to discretize the related Fourier coefficients and mean consistency is discussed.

  13. 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.

  14. Fault steps and the dynamic rupture process: 2-D numerical simulations of a spontaneously propagating shear fracture

    SciTech Connect

    Harris, R.A.; Archuleta, R.J. ); Day, S.M. )

    1991-05-01

    Fault steps may have controlled the sizes of the 1966 Parkfield, 1968 Borrego Mountain, 1979 Imperial Valley, 1979 Coyote Lake and the 1987 Superstition Hills earthquakes. This project investigates the effect of fault steps of various geometries on the dynamic rupture process. The authors have used a finite difference code to simulate spontaneous rupture propagation in two dimensions. They employ a slip-weakening fracture criterion as the condition for rupture propagation and examine how rupture on one plane initiates rupture on parallel fault planes. The geometry of the two parallel fault planes allows for stepover widths of 0.5 to 10.0 m and overlaps of {minus}5 to 5 km. Results demonstrate that the spontaneous rupture on the first fault segment continues to propagate onto the second fault segment for a range of geometries for both compressional and dilational fault steps. A major difference between the compressional and dilational cases is that a dilational step requires a longer time delay between the rupture front reaching the end of the first fault segment and initiating rupture on the second segment. Therefore this dynamic study implies that a compressional step will be jumped quickly, whereas a dilational step will cause a time delay leading to a lower apparent rupture velocity. The authors also find that the rupture is capable of jumping a wider dilational step than compressional step.

  15. 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

  16. 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.

  17. Porosity determination from 2-D resistivity method in studying the slope failures

    NASA Astrophysics Data System (ADS)

    Maslinda, Umi; Nordiana, M. M.; Bery, A. A.

    2017-07-01

    Slope failures have become the main focus for infrastructures development on hilly areas in Malaysia especially the development of tourism and residential. Lack of understanding and information of the subsoil conditions and geotechnical issues are the main cause of the slope failures. The failures happened are due to a combination of few factors such as topography, climate, geology and land use. 2-D resistivity method was conducted at the collapsed area in Selangor. The 2-D resistivity was done to study the instability of the area. The collapsed occurred because of the subsurface materials was unstable. Pole-dipole array was used with 5 m minimum electrode spacing for the 2-D resistivity method. The data was processed using Res2Dinv software and the porosity was calculated using Archie's law equation. The results show that the saturated zone (1-100 Ωm), alluvium or highly weathered rock (100-1000 Ωm), boulders (1600-7000 Ωm) and granitic bedrock (>7000 Ωm). Generally, the slope failures or landslides occur during the wet season or after rainfall. It is because of the water infiltrate to the slope and cause the saturation of the slope which can lead to landslides. Then, the porosity of saturated zone is usually high because of the water content. The area of alluvium or highly weathered rock and saturated zone have high porosity (>20%) and the high porosity also dominated at almost all the collapsed area which means that the materials with porosity >20% is potential to be saturated, unstable and might trigger slope failures.

  18. Echocardiographic reference ranges for normal left ventricular 2D strain: results from the EACVI NORRE study.

    PubMed

    Sugimoto, Tadafumi; Dulgheru, Raluca; Bernard, Anne; Ilardi, Federica; Contu, Laura; Addetia, Karima; Caballero, Luis; Akhaladze, Natela; Athanassopoulos, George D; Barone, Daniele; Baroni, Monica; Cardim, Nuno; Hagendorff, Andreas; Hristova, Krasimira; Lopez, Teresa; de la Morena, Gonzalo; Popescu, Bogdan A; Moonen, Marie; Penicka, Martin; Ozyigit, Tolga; Rodrigo Carbonero, Jose David; van de Veire, Nico; von Bardeleben, Ralph Stephan; Vinereanu, Dragos; Zamorano, Jose Luis; Go, Yun Yun; Rosca, Monica; Calin, Andrea; Magne, Julien; Cosyns, Bernard; Marchetta, Stella; Donal, Erwan; Habib, Gilbert; Galderisi, Maurizio; Badano, Luigi P; Lang, Roberto M; Lancellotti, Patrizio

    2017-05-01

    To obtain the normal ranges for 2D echocardiographic (2DE) measurements of left ventricular (LV) strain from a large group of healthy volunteers accounting for age and gender. A total of 549 (mean age: 45.6 ± 13.3 years) healthy subjects were enrolled at 22 collaborating institutions of the Normal Reference Ranges for Echocardiography (NORRE) study. 2DE data sets have been analysed with a vendor-independent software package allowing homogeneous measurements irrespective of the echocardiographic equipment used to acquire the data sets. The lowest expected values of LV strains and twist calculated as ± 1.96 standard deviations from the mean were -16.7% in men and -17.8% in women for longitudinal strain, -22.3% and -23.6% for circumferential strain, 20.6% and 21.5% for radial strain, and 2.2 degrees and 1.9 degrees for twist, respectively. In multivariable analysis, longitudinal strain decreased with age whereas the opposite occurred with circumferential and radial strain. Male gender was associated with lower strain for longitudinal, circumferential, and radial strain. Inter-vendor differences were observed for circumferential and radial strain despite the use of vendor-independent software. Importantly, no intervendor differences were noted in longitudinal strain. The NORRE study provides contemporary, applicable 2D echocardiographic reference ranges for LV longitudinal, radial, and circumferential strain. Our data highlight the importance of age- and gender-specific reference values for LV strain.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 2D spectroscopy study of water-soluble chlorophyll-binding protein from Lepidium virginicum.

    PubMed

    Alster, Jan; Lokstein, Heiko; Dostál, Jakub; Uchida, Akira; Zigmantas, Donatas

    2014-04-03

    Water-soluble chlorophyll-binding proteins (WSCPs) are interesting model systems for the study of pigment-pigment and pigment-protein interactions. While class IIa WSCP has been extensively studied by spectroscopic and theoretical methods, a comprehensive spectroscopic study of class IIb WSCP was lacking so far despite the fact that its structure was determined by X-ray crystallography. In this paper, results of two-dimensional electronic spectroscopy applied to the class IIb WSCP from Lepidium virginicum are presented. Global analysis of 2D data allowed determination of energy levels and excitation energy transfer pathways in the system. Some additional pathways, not present in class IIa WSCP, were observed. The data were interpreted in terms of a model comprising two interacting chlorophyll dimers. In addition, oscillatory signals were observed and identified as coherent beatings of vibrational origin.

  6. Calculation of Tsunami Damage and preparation of Inundation Maps by 2D and 3D numerical modeling in Göcek, Turkey

    NASA Astrophysics Data System (ADS)

    Ozer Sozdinler, C.; Arikawa, T.; Necmioglu, O.; Ozel, N. M.

    2016-12-01

    The Aegean and its surroundings form the most active part of the Africa-Eurasia collision zone responsible for the high level of seismicity in this region. It constitutes more than 60% of the expected seismicity in Europe up to Mw=8.2 (Moratto et al., 2007; Papazachos, 1990). Shaw and Jackson (2010) argued that the existing system of Hellenic Arc subduction-zone is capable of allowing very large but rare earthquakes on splay faults, such as the one occurred in 365, together with the contribution of small earthquakes. Based on an extensive earthquake generated tsunami scenario database, Necmioğlu and Özel (2015) showed that maximum wave heights in the Eastern Mediterranean for shallow earthquakes defined is >3 m in locations in, around and orthogonal to the Hellenic Arc. Considering the seismicity and the tsunami potential in Eastern Mediterranean, the investigation and monitoring of earthquake and tsunami hazard, and the preparation of mitigation strategies and national resilience plans would become inevitable in Turkey. Gocek town, as one of the Tsunami Forecast Points having a unique geography with many small bays and islands and a very popular touristic destination especially for yachtsmen, is selected in this study for the tsunami modeling by using high resolution bathymetric and topographic data with less than 4m grid size. The tsunami analyses are performed by the numerical codes NAMIDANCE (NAMIDANCE,2011) for 2D modeling and STOC-CADMAS (Arikawa,2014) for 3D modeling for the calculations of tsunami hydrodynamic parameters. Froude numbers, as one of the most important indicators for tsunami damage (Ozer, 2012) and the directions of current velocities inside marinas are solved by NAMIDANCE while STOC-CADMAS determines the tsunami pressure and force exerted onto the sea and land structures with 3D and non-hydrostatic approaches. The results are then used to determine the tsunami inundation and structural resilience and establish the tsunami preparedness and

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Numerical Studies of Quantum Turbulence

    NASA Astrophysics Data System (ADS)

    Tsubota, Makoto; Fujimoto, Kazuya; Yui, Satoshi

    2017-09-01

    We review numerical studies of quantum turbulence. Quantum turbulence is currently one of the most important problems in low temperature physics and is actively studied for superfluid helium and atomic Bose-Einstein condensates. A key aspect of quantum turbulence is the dynamics of condensates and quantized vortices. The dynamics of quantized vortices in superfluid helium are described by the vortex filament model, while the dynamics of condensates are described by the Gross-Pitaevskii model. Both of these models are nonlinear, and the quantum turbulent states of interest are far from equilibrium. Hence, numerical studies have been indispensable for studying quantum turbulence. In fact, numerical studies have contributed to revealing the various problems of quantum turbulence. This article reviews the recent developments in numerical studies of quantum turbulence. We start with the motivation and the basics of quantum turbulence and invite readers to the frontier of this research. Though there are many important topics in the quantum turbulence of superfluid helium, this article focuses on inhomogeneous quantum turbulence in a channel, which has been motivated by recent visualization experiments. Atomic Bose-Einstein condensates are a modern issue in quantum turbulence, and this article reviews a variety of topics in the quantum turbulence of condensates, e.g., two-dimensional quantum turbulence, weak wave turbulence, turbulence in a spinor condensate, some of which have not been addressed in superfluid helium and paves the novel way for quantum turbulence researches. Finally, we discuss open problems.

  12. Numerical Studies of Quantum Turbulence

    NASA Astrophysics Data System (ADS)

    Tsubota, Makoto; Fujimoto, Kazuya; Yui, Satoshi

    2017-07-01

    We review numerical studies of quantum turbulence. Quantum turbulence is currently one of the most important problems in low temperature physics and is actively studied for superfluid helium and atomic Bose-Einstein condensates. A key aspect of quantum turbulence is the dynamics of condensates and quantized vortices. The dynamics of quantized vortices in superfluid helium are described by the vortex filament model, while the dynamics of condensates are described by the Gross-Pitaevskii model. Both of these models are nonlinear, and the quantum turbulent states of interest are far from equilibrium. Hence, numerical studies have been indispensable for studying quantum turbulence. In fact, numerical studies have contributed to revealing the various problems of quantum turbulence. This article reviews the recent developments in numerical studies of quantum turbulence. We start with the motivation and the basics of quantum turbulence and invite readers to the frontier of this research. Though there are many important topics in the quantum turbulence of superfluid helium, this article focuses on inhomogeneous quantum turbulence in a channel, which has been motivated by recent visualization experiments. Atomic Bose-Einstein condensates are a modern issue in quantum turbulence, and this article reviews a variety of topics in the quantum turbulence of condensates, e.g., two-dimensional quantum turbulence, weak wave turbulence, turbulence in a spinor condensate, some of which have not been addressed in superfluid helium and paves the novel way for quantum turbulence researches. Finally, we discuss open problems.

  13. 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

  14. Assessment of prosthesis alignment after revision total knee arthroplasty using EOS 2D and 3D imaging: a reliability study.

    PubMed

    Meijer, Marrigje F; Boerboom, Alexander L; Stevens, Martin; Bulstra, Sjoerd K; Reininga, Inge H F

    2014-01-01

    A new low-dose X-ray device, called EOS, has been introduced for determining lower-limb alignment in 2D and 3D. Reliability has not yet been assessed when using EOS on lower limbs containing a knee prosthesis. Therefore purpose of this study was to determine intraobserver and interobserver reliability of EOS 2D and 3D knee prosthesis alignment measurements after revision total knee arthroplasty (rTKA). Forty anteroposterior and lateral images of 37 rTKA patients were included. Two observers independently performed measurements on these images twice. Varus/valgus angles were measured in 2D (VV2D) and 3D (VV3D). Intraclass correlation coefficients and the Bland and Altman method were used to determine reliability. T-tests were used to test potential differences. Intraobserver and interobserver reliability were excellent for VV2D and VV3D. No significant difference or bias between the first and second measurements or the two observers was found. A significant mean and absolute difference of respectively 1.00° and 1.61° existed between 2D and 3D measurements. EOS provides reliable varus/valgus measurements in 2D and 3D for the alignment of the knee joint with a knee prosthesis. However, significant differences exist between varus/valgus measurements in 2D and 3D.

  15. 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.

  16. 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.

  17. 2D-QSAR study of fullerene nanostructure derivatives as potent HIV-1 protease inhibitors

    NASA Astrophysics Data System (ADS)

    Barzegar, Abolfazl; Jafari Mousavi, Somaye; Hamidi, Hossein; Sadeghi, Mehdi

    2017-09-01

    The protease of human immunodeficiency virus1 (HIV-PR) is an essential enzyme for antiviral treatments. Carbon nanostructures of fullerene derivatives, have nanoscale dimension with a diameter comparable to the diameter of the active site of HIV-PR which would in turn inhibit HIV. In this research, two dimensional quantitative structure-activity relationships (2D-QSAR) of fullerene derivatives against HIV-PR activity were employed as a powerful tool for elucidation the relationships between structure and experimental observations. QSAR study of 49 fullerene derivatives was performed by employing stepwise-MLR, GAPLS-MLR, and PCA-MLR models for variable (descriptor) selection and model construction. QSAR models were obtained with higher ability to predict the activity of the fullerene derivatives against HIV-PR by a correlation coefficient (R2training) of 0.942, 0.89, and 0.87 as well as R2test values of 0.791, 0.67and 0.674 for stepwise-MLR, GAPLS-MLR, and PCA -MLR models, respectively. Leave-one-out cross-validated correlation coefficient (R2CV) and Y-randomization methods confirmed the models robustness. The descriptors indicated that the HIV-PR inhibition depends on the van der Waals volumes, polarizability, bond order between two atoms and electronegativities of fullerenes derivatives. 2D-QSAR simulation without needing receptor's active site geometry, resulted in useful descriptors mainly denoting ;C60 backbone-functional groups; and ;C60 functional groups; properties. Both properties in fullerene refer to the ligand fitness and improvement van der Waals interactions with HIV-PR active site. Therefore, the QSAR models can be used in the search for novel HIV-PR inhibitors based on fullerene derivatives.

  18. 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

  19. 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

  20. 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.

  1. 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.

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

    PubMed

    Khatun, Sufia; Castner, Edward W

    2015-07-23

    Intermolecular interactions between a Ru(2+)(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 {(1)H-(19)F} HOESY and {(1)H-(1)H} 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 Ru(2+)(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 Ru(2+)(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.

  3. 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.

  4. 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.

  5. 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

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

    PubMed

    Lehman, N; Mazery, A C; Visier, A; Baumann, C; Lachesnais, D; Capri, Y; Toutain, A; Odent, S; Mikaty, M; Goizet, C; Taupiac, E; Jacquemont, M L; Sanchez, E; Schaefer, E; Gatinois, V; Faivre, L; Minot, D; Kayirangwa, H; Sang, K-H L Q; Boddaert, N; Bayard, S; Lacombe, D; Moutton, S; Touitou, I; Rio, M; Amiel, J; Lyonnet, S; Sanlaville, D; Picot, M C; Geneviève, D

    2017-09-01

    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 KS 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 KS and recommend individual assessment of intellectual profile. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Studies on the antigenicity of the NKG2D ligand H60a in tumour cells

    PubMed Central

    Yadav, Deepak; Ngolab, Jennifer; Dang, Natalie; Bui, Jack D

    2011-01-01

    H60a is a minor histocompatibility antigen expressed in BALB and 129/Sv but not C57BL/6 mouse strains. The majority of CD8+ T cells in C57BL/6 mice responding to BALB.B splenocytes are specific for H60a. Interestingly, H60a is expressed constitutively on tumour cells, but its nature as a tumour rejection antigen, as a parallel to its function as a transplant rejection antigen, has not been studied. In this report, we show that tumour cells that constitutively express H60a at the cell surface can be recognized by H60a-specific T cells. Furthermore, when H60a-expressing sarcoma cell lines are transplanted into C57BL/6 mice, H60a-specific T cells can be found at high percentages among the tumour-infiltrating CD8+ T cells. These findings were seen in C57BL/6 but not F1 (C57BL/6 × 129) mice (which express H60a), suggesting that endogenous tolerance mechanisms suppress the antigenic properties of H60a. Our findings have implications for the generation of tumour vaccines against human natural killer group 2D ligands, such as MHC class I chain-like gene A, that are also transplantation antigens. PMID:21438873

  12. 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.

  13. Specific Heat Studies of a 2D S = 1/2 Heisenberg Antiferromagnet

    NASA Astrophysics Data System (ADS)

    Landee, Christopher; Xiao, Fan; Gerber, Simon; Kenzelmann, Michel; Xu, Nu; Sandvik, Anders

    We report on the field-dependent specific heat of a highly two-dimensional Heisenberg, S = 1/2 antiferromagnet (2D QHAF), [Cu(pz)2(2-OHpy)2](ClO4)2 , where pz = pyrazine and 2-OHpy = 2-pyridone. The copper atoms and pyrazine molecules form distorted rectangular layers of pyrazine-bridged copper(II) ions with the pyridone molecules normal to the layers, providing exceptional spacing between layers. The zero-field specific heat of this compound (1.8 - 35 K) is compared to the recent QMC simulations of the specific heat for the 2D QHAF. Under applied field, the temperature dependence of the specific heat varies smoothly, but no field-induced ordering is observed. This behavior differs from the field-induced ordering in the 2D QHAF Cu(pz)2(ClO4)2 reported previously.

  14. 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

  15. Digit ratio (2D:4D) in primary brain tumor patients: A case-control study.

    PubMed

    Bunevicius, Adomas; Tamasauskas, Sarunas; Deltuva, Vytenis Pranas; Tamasauskas, Arimantas; Sliauzys, Albertas; Bunevicius, Robertas

    2016-12-01

    The second-to-fourth digit ratio (2D:4D) reflects prenatal estrogen and testosterone exposure, and is established in utero. Sex steroids are implicated in development and progression of primary brain tumors. To investigate whether there is a link between 2D:4D ratio and primary brain tumors, and age at presentation. Digital images of the right and left palms of 85 primary brain tumor patients (age 56.96±13.68years; 71% women) and 106 (age 54.31±13.68years; 68% women) gender and age matched controls were obtained. The most common brain tumor diagnoses were meningioma (41%), glioblastoma (20%) and pituitary adenoma (16%). Right and left 2D:4D ratios, and right minus left 2D:4D (Dr-l) were compared between patients and controls, and were correlated with age. Right and left 2D:4D ratios were significantly lower in primary brain tumor patients relative to controls (t=-4.28, p<0.001 and t=-3.69, p<0.001, respectively). The Dr-l was not different between brain tumor patients and controls (p=0.27). In meningioma and glioma patients, age at presentation correlated negatively with left 2D:4D ratio (rho=-0.42, p=0.01 and rho=-0.36, p=0.02, respectively) and positively with Dr-l (rho=0.45, p=0.009 and rho=0.65, p=0.04, respectively). Right and left hand 2D:4D ratios are lower in primary brain tumor patients relative to healthy individuals suggesting greater prenatal testosterone and lower prenatal estrogen exposure in brain tumor patients. Greater age at presentation is associated with greater Dr-l and with lower left 2D:4D ratio of meningioma and glioma patients. Due to small sample size our results should be considered preliminary and interpreted with caution. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  16. 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

  17. 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.

  18. 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".

  19. Numerical Study of Optical Ray Retracing in Laser-Plasma Backscatter.

    DTIC Science & Technology

    1980-04-01

    Brillouin backscatter from laser-produced plasmas is studied numerically, using a 2-D propagation code ( BOUNCE ). This code treats steady state...Fig. 1. This paper describes numerical simulations of ray retracing in laser-produced plasmas, using a steady state 2-D propagation code ( BOUNCE ).11...wave saturation must be reserved for a later study. 12 III. PROPAGATION CODE In its present form, BOUNCE solves Eqs (18) (ignoring the V1 1 2/Ve2 term

  20. 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).

  1. [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.

  2. Simulation study of the ionic mechanisms underlying Torsade de Pointes in a 2D cardiac tissue.

    PubMed

    Kirthi Priya, Ponnuraj; Reddy, M Ramasubba

    2017-08-24

    To understand the ionic mechanism behind the genesis of Torsade de Pointes (TdP) occurring with long QT syndrome 2 (LQTS2) in a remodelled transmural tissue. The TP06 model is used to simulate the electrical activity of cells in a 2D transmural ventricular model. LQTS2 is realised by reducing the potassium current (IKr) to 0.5 in each cell. Each cell of the tissue is remodelled by increasing the conductance of calcium current (GCaL). The above two factors make the cells prone to early after depolarizations (EADs) development. The rise in GCaL that can develop a sustained TdP at normal pacing rate is determined from this study. A look at the calcium dynamics, sodium-calcium exchanger current (INaCa) and slow delayed rectifier potassium current (IKs) distribution maps of the tissue helps us in analysing the mechanism of TdP generation. A TdP type pattern at normal pacing rate is generated when GCaL is more than 3.5 times the control parameter. From the M-cell island, an adequate number of cells spontaneously release calcium from their sarcoplasmic reticulum leading to increased intracellular calcium and inward sodium current through the sodium calcium exchanger current (INaCa). These contribute to the development of EADs which create a depolarising wavefront that triggers TdP in the tissue. When GCaL is less than 3.5 times the control value, premature ventricular complexes (PVC) occur interspersed between normal beats. Normal pacing rates can induce a multi focal TdP when sufficient number of M-cells simultaneously undergo spontaneous calcium release (SCR) events. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. 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

  4. 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.

  5. 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.

  6. Numerical study of juncture flows

    NASA Technical Reports Server (NTRS)

    Chen, Chung-Lung; Hung, Ching-Mao

    1991-01-01

    The present paper describes a computational study of laminar/turbulent and subsonic/supersonic horseshoe vortex systems generated by a cylindrical protuberance mounted on a flat plate. Various vortex structures are predicted and discussed. Low-speed laminar juncture flows are computed to determine the Reynolds number effect with the same incoming boundary-layer thickness. For a low subsonic laminar flow, the number of vortex arrays increases with the Reynolds number, in agreement with both experimental and numerical observations. Qualitative comparisons are made along with the computations, experimental observations, and analytical work. For incompressible flow, the relationships among pressure extrema, vorticity, and singular points in flow structure are discussed. A parametric study of the effect of the free-stream Mach number on the flow structure for laminar flow is conducted. The juncture flow when the incoming flow is turbulent and supersonic is computed.

  7. 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

  8. 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

  9. Breast cancer screening with tomosynthesis (3D mammography) with acquired or synthetic 2D mammography compared with 2D mammography alone (STORM-2): a population-based prospective study.

    PubMed

    Bernardi, Daniela; Macaskill, Petra; Pellegrini, Marco; Valentini, Marvi; Fantò, Carmine; Ostillio, Livio; Tuttobene, Paolina; Luparia, Andrea; Houssami, Nehmat

    2016-08-01

    Breast tomosynthesis (pseudo-3D mammography) improves breast cancer detection when added to 2D mammography. In this study, we examined whether integrating 3D mammography with either standard 2D mammography acquisitions or with synthetic 2D images (reconstructed from 3D mammography) would detect more cases of breast cancer than 2D mammography alone, to potentially reduce the radiation burden from the combination of 2D plus 3D acquisitions. The Screening with Tomosynthesis Or standard Mammography-2 (STORM-2) study was a prospective population-based screening study comparing integrated 3D mammography (dual-acquisition 2D-3D mammography or 2D synthetic-3D mammography) with 2D mammography alone. Asymptomatic women aged 49 years or older who attended population-based screening in Trento, Italy were recruited for the study. All participants underwent digital mammography with 2D and 3D mammography acquisitions, with the use of software that allowed synthetic 2D mammographic images to be reconstructed from 3D acquisitions. Mammography screen-reading was done in two parallel double-readings conducted sequentially for 2D acquisitions followed by integrated acquisitions. Recall based on a positive mammography result was defined as recall at any screen read. Primary outcome measures were a comparison between integrated (2D-3D or 2D synthetic-3D) mammography and 2D mammography alone of the number of cases of screen-detected breast cancer, the cancer detection rate per 1000 screens, the incremental cancer detection rate, and the number and percentage of false-positive recalls. Between May 31, 2013, and May 29, 2015, 10 255 women were invited to participate, of whom 9672 agreed to participate and were screened. In these 9672 participants (median age 58 years [IQR 53-63]), screening detected 90 cases of breast cancer, including 74 invasive breast cancers, in 85 women (five women had bilateral breast cancer). To account for these bilateral cancers in cancer detection rate

  10. 2D:4D indicates phimosis risk: A study on digit ratio and early foreskin development.

    PubMed

    Li, Guanjian; Huo, Ying; Sun, Ke; Wang, Xiaodong; Li, Hao; Gao, Le; Ma, Bin

    2016-08-01

    Many researchers have adopted 2D:4D (second to fourth finger length ratio) as a noninvasive retrospective biomarker for prenatal androgen exposure in recent years. It is thought to be related to diverse traits including behavioral phenotypes, disease susceptibility, and development of urogenital system. To examine the relationship between 2D:4D and early foreskin development. We analyzed the digit ratio and foreskin condition in 176 cases (range 0-6years). The boys were divided into four groups according to their ages: group 1, neonates (below 28days, n=13); group 2, infants (1-12months, n=45); group 3, toddlers (1-2years old, n=42); group 4, preschool children (3-6years old, n=76). We measured the lengths of the second and fourth digits of the left and right hands. The foreskin status was classified into 4 types. Type I (phimosis), type II (partial phimosis), type III (adhesion of prepuce), type IV (normal). The phimosis rate was 92.3%, 82.2%, 45.2%, and 38.7% in group 1 to group 4. In contrast, the proportion of normal foreskin increased from 0% in neonates to 13.2% in preschool children. The percentage of higher level of foreskin development shows a downward trend with the increase of digits ratio, and as the age grows, the percentage of normal foreskin cases also increases. These results suggest that a higher R2D:4D (right hand 2D:4D) is a risk factor for phimosis in the early human development. Age is also a significant influence factor of foreskin conditions. Additional research is required to identify pathophysiologic mechanisms and to determine clinical significance. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  11. 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.

  12. 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.

  13. 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.

  14. Rationale and Design of the Vitamin D and Type 2 Diabetes (D2d) Study: A Diabetes Prevention Trial

    PubMed Central

    Pittas, Anastassios G.; Dawson-Hughes, Bess; Rosen, Clifford J.; Ware, James H.; Knowler, William C.; Staten, Myrlene A.

    2014-01-01

    OBJECTIVE Observational studies suggest that vitamin D may lower the risk of type 2 diabetes. However, data from long-term trials are lacking. The Vitamin D and Type 2 Diabetes (D2d) study is a randomized clinical trial designed to examine whether a causal relationship exists between vitamin D supplementation and the development of diabetes in people at high risk for type 2 diabetes. RESEARCH DESIGN AND METHODS D2d was designed with support from a U34 planning grant from the National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK). The final protocol was approved by the D2d Research Group, the data and safety monitoring board, and NIDDK. Key eligibility criteria are age ≥30 years, BMI of 24 (22.5 for Asian Americans) to 42 kg/m2, increased risk for diabetes (defined as meeting two of three glycemic criteria for prediabetes established by the American Diabetes Association [fasting glucose 100–125 mg/dL (5.5–6.9 mmol/L), 2-h postload glucose after 75-g glucose load 140–199 mg/dL (7.7–11.0 mmol/L), hemoglobin A1c 5.7–6.4% (39–46 mmol/mol)]), and no hyperparathyroidism, nephrolithiasis, or hypercalcemia. D2d participants are randomized to once-daily vitamin D3 (cholecalciferol 4,000 IU) or placebo and followed for an average of 3 years. The primary end point is time to incident diabetes as assessed by laboratory criteria during the study or by adjudication if diagnosed outside of D2d. Recruitment was initiated at the end of 2013. CONCLUSIONS D2d will test whether vitamin D supplementation is safe and effective at lowering the risk of progression to diabetes in people at high risk for type 2 diabetes. PMID:25205139

  15. FT-Raman study of quinine aqueous solutions with varying pH: 2D correlation study

    NASA Astrophysics Data System (ADS)

    Wesełucha-Birczyńska, Aleksandra

    2007-01-01

    Quinine (C 20H 24N 2O 2) is one of the best known, for its antimalarial activity, Cinchona alkaloid. In the current study 2D correlation method was applied to analyze FT-Raman spectra of quinine aqueous solutions with varying pH, which was regarded as an external perturbation. Protonation appears to be the main cause leading to the emergence of cross peaks in the synchronous and asynchronous correlation maps. One should know that protonation process is an important step associated with quinine antimalarial activity. Methoxy group manifests its presence by creation of the respective correlation peaks and seems to be significant for quinine mode of action.

  16. 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

  17. 2D numerical modeling of the gas temperature in a large-volume high-temperature nanosecond pulsed longitudinal discharge in helium with small admixtures of neon, strontium and bromine

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

    A numerical 2D model (r, z) of the gas temperature was developed for the case of axial symmetry and uniform power input. The model determines the gas temperature of a nanosecond pulsed longitudinal discharge in helium with small additives of neon, strontium and bromine. The gas discharge is excited in the newly designed large-volume high-temperature discharge tube.

  18. 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.

  19. 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.

  20. Ultrafast vibrational population transfer dynamics in 2-acetylcyclopentanone studied by 2D IR spectroscopy.

    PubMed

    Park, Sungnam; Ji, Minbiao

    2011-03-14

    2-Acetylcyclopentanone (2-ACP), which is a β-dicarbonyl compound, undergoes keto-enol isomerization, and its enol tautomers are stabilized by a cyclic intramolecular hydrogen bond. 2-ACP (keto form) has symmetric and asymmetric vibrational modes of the two carbonyl groups at 1748 and 1715 cm(-1) , respectively, which are well separated from the carbonyl modes of its enol tautomers in the FTIR spectrum. We have investigated 2-ACP dissolved in carbon tetrachloride by 2D IR spectroscopy and IR pump-probe spectroscopy. Vibrational population transfer dynamics between the two carbonyl modes were observed by 2D IR spectroscopy. To extract the population exchange dynamics (i.e., the down- and uphill population transfer rate constants), we used the normalized volumes of the cross-peaks with respect to the diagonal peaks at the same emission frequency and the survival and conditional probability functions. As expected, the downhill population transfer time constant (3.2 ps) was measured to be smaller than the uphill population transfer time constant (3.8 ps). In addition, the vibrational population relaxation dynamics of the two carbonyl modes were observed to be the same within the experimental error and were found to be much slower than vibrational population transfer between two carbonyl modes. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. 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.

  2. 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.

  3. Optimization of Large Gel 2D Electrophoresis for Proteomic Studies of Skeletal Muscle

    PubMed Central

    Reed, Patrick W.; Densmore, Allison; Bloch, Robert J.

    2013-01-01

    We describe improved methods for large format, 2-dimensional gel electrophoresis (2-DE) that improve protein solubility and recovery, minimize proteolysis, and reduce the loss of resolution due to contaminants and manipulations of the gels, and thus enhance quantitative analysis of protein spots. Key modifications are: (i) the use of 7M urea + 2 M thiourea, instead of 9M urea, in sample preparation and in the tops of the gel tubes; (ii) standardized deionization of all solutions containing urea with a mixed bed ion exchange resin and removal of urea from the electrode solutions; and (iii) use of a new gel tank and cooling device that eliminate the need to run two separating gels in the SDS dimension. These changes make 2D-GE analysis more reproducible and sensitive, with minimal artifacts. Application of this method to the soluble fraction of muscle tissues reliably resolves ~1800 protein spots in adult human skeletal muscle and over 2800 spots in myotubes. PMID:22589104

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. A model for human cytochrome P450 2D6 based on homology modeling and NMR studies of substrate binding.

    PubMed

    Modi, S; Paine, M J; Sutcliffe, M J; Lian, L Y; Primrose, W U; Wolf, C R; Roberts, G C

    1996-04-09

    The cytochrome P450 responsible for the debrisoquine/sparteine polymorphism (P450 2D6) has been produced in large quantities by expression of a modified cDNA in baculovirus. A polyhistidine extension was incorporated at the C-terminus of the expressed protein, which, after purification of the protein on a nickel-agarose column, could be removed proteolytically by treatment with thrombin. Purified yields of P450 2D6 were 2.4 mg from 700 mL of cell culture. The protein had a greater than 90% heme content and was fully active, having no residual absorbance at 420 nm in the reduced CO complex. The quantities produced allowed direct study of the interaction of the substrate codeine with the enzyme by paramagnetic relaxation effects on the NMR spectrum of the substrate. Distances between the heme iron atom and substrate protons were calculated from these experiments, and the orientation of the substrate in the binding pocket was determined. This showed that codeine was bound with the methoxy group of the molecule closest to the heme iron (iron-methyl proton distance of 3.1 +/- 0.1 A), consistent with the observed O-demethylation to morphine. A model of the complex Of P450 2D6 with codeine was built from a multiple sequence and structure alignment of the known crystal structures for P450s, incorporating the experimental constraints derived from the NMR studies. This showed that the overall fold Of P450 2D6 is more similar to that of P450 BM3 than to either P450 cam or P450 terp. Codeine binds to P450 2D6 so that the methoxy group is directly above the A ring of the heme, while the basic nitrogen interacts with the carboxylate of aspartate 301.

  12. 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

  13. CYP2D6 Inhibition and Breast Cancer Recurrence in a Population-Based Study in Denmark

    PubMed Central

    Cronin-Fenton, Deirdre; Ahern, Thomas P.; Rosenberg, Carol L.; Lunetta, Kathryn L.; Silliman, Rebecca A.; Garne, Jens Peter; Sørensen, Henrik Toft; Hellberg, Ylva; Christensen, Mariann; Pedersen, Lars; Hamilton-Dutoit, Stephen

    2011-01-01

    Background Cytochrome P450 2D6 (CYP2D6) inhibition reduces the concentration of 4-hydroxylated tamoxifen metabolites, but the clinical relevance remains uncertain. Methods We conducted a large case–control study nested in the population of 11 251 women aged 35–69 years at diagnosis of stage I–III breast cancer between 1985 and 2001 on Denmark’s Jutland Peninsula and registered with the Danish Breast Cancer Cooperative Group. We identified 541 recurrent or contralateral breast cancers among women with estrogen receptor–positive (ER+) disease treated with tamoxifen for at least 1 year and 300 cancers in women with ER-negative (ER−) disease never treated with tamoxifen. We matched one control subject per case patient on ER status, menopausal status, stage, calendar time, and county, genotyped the CYP2D6*4 allele to assess genetic inhibition, and ascertained prescription history to assess drug–drug inhibition. We estimated the odds ratio (OR), associating CYP2D6 inhibition with breast cancer recurrence and adjusted for potential confounding with logistic regression. To address bias from incomplete information on CYP2D6 function, we used Monte Carlo simulation to complete a record-level probabilistic bias analysis. All statistical tests were two-sided. Results The frequency of the CYP2D6*4 minor allele was 24% in case patients with ER+ tumors, 23% in case patients with ER− tumors, and 22% each in control subjects with ER+ and ER− tumors. In women with ER+ tumors, the associations of one functional allele with recurrence (OR = 0.99; 95% confidence interval = 0.76 to 1.3) and no functional allele with recurrence (OR = 1.4; 95% confidence interval = 0.84 to 2.3) were near null, as were those for women with ER− tumors. The near-null associations persisted when evaluated by intake of medications, by combining genotype with medication history, in the probabilistic bias analysis, or by restricting the analysis to women with ER expression confirmed by re

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. Sun protection and hydration of stratum corneum: a study by 2-D differential method.

    PubMed

    Lécureux, M; Deumié, C; Enoch, S

    2014-10-01

    The stratum corneum is the outermost layer of the skin. Its components and its morphology (such as the size of its cells) play a role in sun protection, and it has been noted that the stratum corneum hydration can change these properties. Sunscreens, applied on the skin, can be more or less effective depending on the stratum corneum characteristics. We therefore propose to simulate the quality of the sun protection and the effect of the stratum corneum hydration on the sun protection. We first determined the sunscreen distribution on a plastic substrate using an optical coherence tomography device. We were then able to calculate, by 2-D differential method, the extinction of several sunscreens. We modelled the hydration of the stratum corneum, by changing the substrate with corneocytes of different thicknesses. Our results showed that hydrated stratum corneum protects more against the UV. The benefit from changing the substrate varies depending on the sunscreen applied. We modelled sunscreens on different substrates using electromagnetic simulations. To compare these results with measurements, we have to carefully hydrate or dehydrate the SC: the simulations did not take into account modifications of the surface (water on the surface for example) or any change in the characteristics of the stratum corneum other than the modification of the corneocytes thickness. © 2014 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

  19. 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.

  20. 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.

  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.

    2014-12-01

    Lahar modeling represents an excellent tool for designing 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 if magmatic activity increases its magnitude. One of the main issues for lahar simulation using FLO2D is the calibration of the input hydrograph and rheological flow properties. Here, we verified that geophone data can be properly calibrated by means of peak discharge calculations obtained by the superelevation method. Digital elevation model resolution also resulted as an important factor in defining the reliability of the simulated flows. Simulation results clearly show the influence of sediment concentrations and rheological properties on lahar depth and distribution. Modifying rheological properties during lahar simulation strongly affects lahar distribution. More viscous lahars have a more restricted aerial distribution and thicker depths, and resulting velocities are noticeably smaller. FLO2D proved to be a very successful tool for delimitating lahar inundation zones as well as generating different lahar scenarios not only related to lahar volume or magnitude, but also taking into account different sediment concentrations and rheologies widely documented as influencing lahar-prone areas.

  2. Rationale and design of the Vitamin D and Type 2 Diabetes (D2d) study: a diabetes prevention trial.

    PubMed

    Pittas, Anastassios G; Dawson-Hughes, Bess; Sheehan, Patricia R; Rosen, Clifford J; Ware, James H; Knowler, William C; Staten, Myrlene A

    2014-12-01

    Observational studies suggest that vitamin D may lower the risk of type 2 diabetes. However, data from long-term trials are lacking. The Vitamin D and Type 2 Diabetes (D2d) study is a randomized clinical trial designed to examine whether a causal relationship exists between vitamin D supplementation and the development of diabetes in people at high risk for type 2 diabetes. D2d was designed with support from a U34 planning grant from the National Institute of Diabetes and Digestive and Kidney Diseases (NIDDK). The final protocol was approved by the D2d Research Group, the data and safety monitoring board, and NIDDK. Key eligibility criteria are age ≥30 years, BMI of 24 (22.5 for Asian Americans) to 42 kg/m(2), increased risk for diabetes (defined as meeting two of three glycemic criteria for prediabetes established by the American Diabetes Association [fasting glucose 100-125 mg/dL (5.5-6.9 mmol/L), 2-h postload glucose after 75-g glucose load 140-199 mg/dL (7.7-11.0 mmol/L), hemoglobin A₁c 5.7-6.4% (39-46 mmol/mol)]), and no hyperparathyroidism, nephrolithiasis, or hypercalcemia. D2d participants are randomized to once-daily vitamin D₃ (cholecalciferol 4,000 IU) or placebo and followed for an average of 3 years. The primary end point is time to incident diabetes as assessed by laboratory criteria during the study or by adjudication if diagnosed outside of D2d. Recruitment was initiated at the end of 2013. D2d will test whether vitamin D supplementation is safe and effective at lowering the risk of progression to diabetes in people at high risk for type 2 diabetes. © 2014 by the American Diabetes Association. Readers may use this article as long as the work is properly cited, the use is educational and not for profit, and the work is not altered.

  3. 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.

  4. 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.

  5. Spatial Ability and Prenatal Androgens: Meta-analyses of CAH and Digit Ratio (2D:4D) Studies

    PubMed Central

    Puts, David Andrew; McDaniel, Michael A.; Jordan, Cynthia L.; Breedlove, S. Marc

    2010-01-01

    Hormonal manipulations indicate that early androgens organize sex differences in spatial ability in animal models. In humans, spatial ability is also sexually dimorphic, and information about the effects of prenatal androgens on spatial ability can be obtained from studies of congenital adrenal hyperplasia (CAH) and the ratio of the second and fourth finger lengths (2D:4D). CAH is a condition characterized by prenatal overproduction of adrenal androgens, and several lines of evidence suggest that 2D:4D reflects prenatal androgen exposure. Some studies have found that these proxy measures of prenatal androgenization predict spatial ability, others have found no significant relationship, and yet others have obtained results in opposite directions. In light of these mixed findings, we conducted meta-analyses of published literature and unpublished results to determine if, across studies, either of these indications of prenatal androgens predicts spatial ability. In addition, we applied a trim and fill analysis to the data in search of asymmetry that might be an indication of publication bias. Results indicate that females with CAH have significantly better spatial abilities, and CAH males have worse spatial abilities, than do controls. Little or no relationship exists between 2D:4D and spatial ability. Implications for possible hormonal contributions and the developmental timing of sex differences in spatial cognition are discussed. PMID:18074217

  6. Far-Infrared Studies of 2D and 1D Electrons in Ultra High-Mobility Gated Semiconductor Structures

    NASA Astrophysics Data System (ADS)

    Heron, R. J.; Lewis, R. A.; Rickel, D. G.; Clark, R. G.; Starrett, R. P.; Kane, B. E.; Facer, G. R.; Lumpkin, N. E.; Dzurak, A. S.; Pfeiffer, L. N.; West, K. W.

    1998-03-01

    Far-infrared (FIR) photoconductivity experiments are reported for extremely high-mobility gated GaAs-AlGaAs 1D and 2D structures in which the electron density and confining potential are separately adjustable by surface gates. Unprecedented mean free paths in excess of 100 μm are observed in ballistic transport measurements in 2D, and conductance quantisation is observed in 5 μm long 1D quantum wires. The electron density is tunable over two orders of magnitude. This allows detailed studies of cyclotron resonance (CR) at differing Landau level filling factors, ν. The samples are undoped, carriers being introduced by a top-gate, so comparisons can be drawn with similar studies in modulation-doped structures, in particular CR measurements in the extreme quantum limit (ν<<1) where a splitting of the CR line has previously been used to probe correlated electron physics. The extension of this work to FIR studies of quantum wires at milli-Kelvin temperatures is expected to provide a spectroscopic probe of 2D-1D coupling and correlation effects in 1D (Luttinger liquid), where the absence of random disorder becomes increasingly important.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

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

    NASA Astrophysics Data System (ADS)

    Sternberger, Zach; Ravichandran, Ravi; Wehrenberg, Chris; Remington, Bruce; Maddox, Brian; Opachich, Kathy; Randall, Greg; Farrell, Mike

    2015-06-01

    Driving a shock wave through the interface between two materials with different densities can result in 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 30 GPa up to 200 GPa, and were calibrated using VISAR drive targets. The recovered targets show that the 3D initial perturbations grew more than the 2D initial perturbations at the same shock strength. This result is compared with predictions of existing models in the literature.

  16. 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.

  17. 2D-QSAR study of some 2,5-diaminobenzophenone farnesyltransferase inhibitors by different chemometric methods

    PubMed Central

    Ghanbarzadeh, Saeed; Ghasemi, Saeed; Shayanfar, Ali; Ebrahimi-Najafabadi, Heshmatollah

    2015-01-01

    Quantitative structure activity relationship (QSAR) models can be used to predict the activity of new drug candidates in early stages of drug discovery. In the present study, the information of the ninety two 2,5-diaminobenzophenone-containing farnesyltranaferase inhibitors (FTIs) were taken from the literature. Subsequently, the structures of the molecules were optimized using Hyperchem software and molecular descriptors were obtained using Dragon software. The most suitable descriptors were selected using genetic algorithms-partial least squares and stepwise regression, where exhibited that the volume, shape and polarity of the FTIs are important for their activities. The two-dimensional QSAR models (2D-QSAR) were obtained using both linear methods (multiple linear regression) and non-linear methods (artificial neural networks and support vector machines). The proposed QSAR models were validated using internal validation method. The results showed that the proposed 2D-QSAR models were valid and they can be used for prediction of the activities of the 2,5-diaminobenzophenone-containing FTIs. In conclusion, the 2D-QSAR models (both linear and non-linear) showed good prediction capability and the non-linear models were exhibited more accuracy than the linear models. PMID:26600747

  18. 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.

  19. 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.

  20. 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.

  1. The use of parallel computations in a 2-D numerical simulation of non-stationary thermal field in a cylindrical wire

    NASA Astrophysics Data System (ADS)

    Gołebiowski, Jerzy; Bycul, Robert Piotr

    2008-01-01

    The non-stationary temperature distribution in a 2-D cross-section of a cylindrical copper wire with insulation was investigated. The wire was conducting direct current of a constant value. The Hankel boundary condition modelling convectional cooling was applied. The convective heat transfer coefficient was assumed to be a function of the angle coordinate in the cylindrical coordinate system. The heat transfer equation was discretized in space and time domain with the use of the implicit FDM. For each discrete value in the time domain the solution of the resulted system of algebraic equations was determined by a parallel conjugate gradient method. The results of the simulation were compared to those obtained from a commercial software package: EMRC Nisa. The comparison showed good agreement between the results. All the results and the comparison are presented in the paper along with the comments and conclusions.

  2. 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.

  3. T2D-Db: an integrated platform to study the molecular basis of Type 2 diabetes.

    PubMed

    Agrawal, Shipra; Dimitrova, Nevenka; Nathan, Prasanthi; Udayakumar, K; Lakshmi, S Sai; Sriram, S; Manjusha, N; Sengupta, Urmi

    2008-07-07

    Type 2 Diabetes Mellitus (T2DM) is a non insulin dependent, complex trait disease that develops due to genetic predisposition and environmental factors. The advanced stage in type 2 diabetes mellitus leads to several micro and macro vascular complications like nephropathy, neuropathy, retinopathy, heart related problems etc. Studies performed on the genetics, biochemistry and molecular biology of this disease to understand the pathophysiology of type 2 diabetes mellitus has led to the generation of a surfeit of data on candidate genes and related aspects. The research is highly progressive towards defining the exact etiology of this disease. T2D-Db (Type 2 diabetes Database) is a comprehensive web resource, which provides integrated and curated information on almost all known molecular components involved in the pathogenesis of type 2 diabetes mellitus in the three widely studied mammals namely human, mouse and rat. Information on candidate genes, SNPs (Single Nucleotide Polymorphism) in candidate genes or candidate regions, genome wide association studies (GWA), tissue specific gene expression patterns, EST (Expressed Sequence Tag) data, expression information from microarray data, pathways, protein-protein interactions and disease associated risk factors or complications have been structured in this on line resource. Information available in T2D-Db provides an integrated platform for the better molecular level understanding of type 2 diabetes mellitus and its pathogenesis. Importantly, the resource facilitates graphical presentation of the gene/genome wide map of SNP markers and protein-protein interaction networks, besides providing the heat map diagram of the selected gene(s) in an organism across microarray expression experiments from either single or multiple studies. These features aid to the data interpretation in an integrative way. T2D-Db is to our knowledge the first publicly available resource that can cater to the needs of researchers working on

  4. Can digit ratio (2D:4D) studies be helpful in explaining the aetiology of idiopathic gynecomastia?

    PubMed

    Kasielska-Trojan, Anna; Antoszewski, Bogusław

    2015-01-01

    Aetiology of idiopathic form of gynecomastia is unknown and it has not been established if it is related to factors present at the prenatal period or if it is caused by yet unidentified environmental conditions. The aim of this study is to compare digit ratio (2D:4D) in men with idiopathic gynecomastia and unaffected male and female controls from the general population. The study involved 250 subjects (50 men with idiopathic gynecomastia, 100 control men and 100 control women). Eight measurements were taken: body height, waist and hip circumferences, II and IV digits' lengths (right and left), and body weight, and 4 indices were calculated: BMI, WHR, and 2D:4D for the right and left hand. 2D:4D in men with gynecomastia ([median (I-III quartiles)]: 1.03 (1.01-1.04) for right hand and 1.03 (1.01-1.03) for left hand) was significantly different than the ratio in control men [0.97 (0.95-0.99)] for right and left hand) (p<0.0001) and similar to the ratio found in control women [1.02 (1-1.03)] for right and left hand) (p=1). Men with gynecomastia were characterized with higher values of the following variables: weight, waist and hip circumferences, BMI and WHR. Their body height was significantly greater than in women (p<0.0001) but similar to the values observed in control men (p=0.2687). The findings presented in this study may influence the aetiology-related classification of gynecomastia and justify introducing the new group: "gynecomastia related to the prenatal sex hormones disturbances". Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  5. Numerical simulation of 2-D seismic wave propagation in the presence of a topographic fluid-solid interface at the sea bottom by the curvilinear grid finite-difference method

    NASA Astrophysics Data System (ADS)

    Sun, Yao-Chong; Zhang, Wei; Xu, Jian-Kuan; Chen, Xiaofei

    2017-09-01

    This study simulates seismic wave propagation across a 2-D topographic fluid (acoustic) and solid (elastic) interface at the sea bottom by the finite-difference method (FDM). In this method, seismic waves in sea water are governed by acoustic wave equations, whereas seismic waves in solid earth are governed by elastic wave equations. The fluid-solid interface condition is implemented on the interface. Body-conforming grids are used to fit the topographic fluid-solid interface which naturally avoids spurious diffractions due to staircase approximation. A collocated-grid MacCormack FDM is utilized to update the wavefields in the fluid and solid media. The fluid-solid interface condition is explicitly implemented by decomposing the velocity and stress components to the normal and tangential directions with respect to the interface within a fourth-order Runge-Kutta time-marching scheme. The algorithm solutions for both flat and topographic fluid-solid interface models are compared with analytical solutions and spectral element solutions to validate the proposed method. Results show a suitable agreement with the reference solutions and hence confirms the validity of this method. The proposed FDM enforces the numerical solutions to satisfy the exact interface condition and it is more accurate than the conventional FDM that uses effective media parameters to approximate the interface condition.

  6. 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

  7. 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

  8. Influence of anthraquinone scaffold on E/Z isomer distribution of two thiosemicarbazone derivatives. 2D NMR and DFT studies

    NASA Astrophysics Data System (ADS)

    Marković, Violeta; Joksović, Milan D.; Marković, Svetlana; Jakovljević, Ivan

    2014-01-01

    A distribution of possible isomeric and tautomeric forms of two tautomerizable anthraquinone-thiosemicarbazones with pronounced cytotoxic potential was investigated using 2D NMR and DFT studies. Conformational analysis of the E and Z isomers of both thiosemicarbazones was performed to find out the most stable conformation for each molecule. It was found that superior stability of E-isomers results from ten-membered intramolecular hydrogen bond between thiosemicarbazone N2H and anthraquinone carbonyl group. This hydrogen bond is stronger than that between thiosemicarbazone N2H and ester oxygen, owing to the large partial negative charge on the anthraquinone oxygen.

  9. 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.

  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.

    2017-01-01

    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.

  11. A Study of the Effects of Disorder in the 2D Hubbard Model

    SciTech Connect

    Enjalran, M.; Hebert, F.; Scalettar, R.; Zhang, S.; Batrouni, G.

    2000-06-05

    We study the effects of disorder on long range antiferromagnetic correlations and the Mott gap in the half-filled, two dimensional, repulsive Hubbard model. We employ Hartree-Fock (HF) and Quantum Monte Carlo (QMC) techniques in our study of the bond and site disordered models. Results from mean field (HF) calculations are used to develop a qualitative picture of the physics and to guide our choice for input to the QMC methods. The basic properties of two QMC methods for correlated fermions are discussed, and the results from these different approaches are presented.

  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. A plastic scintillator-based 2D thermal neutron mapping system for use in BNCT studies.

    PubMed

    Ghal-Eh, N; Green, S

    2016-06-01

    In this study, a scintillator-based measurement instrument is proposed which is capable of measuring a two-dimensional map of thermal neutrons within a phantom based on the detection of 2.22MeV gamma rays generated via nth+H→D+γ reaction. The proposed instrument locates around a small rectangular water phantom (14cm×15cm×20cm) used in Birmingham BNCT facility. The whole system has been simulated using MCNPX 2.6. The results confirm that the thermal flux peaks somewhere between 2cm and 4cm distance from the system entrance which is in agreement with previous studies. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. 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).

  16. 2-D and 3-D Magnetic Inversion Studies in the South Atlantic

    DTIC Science & Technology

    1988-01-01

    studies, erupt from a new volcanic vent at very high effusion rates during volcanic and tectonic episodes of activity within the inner floorI ! I I 60...for at least 2.5 my. The highs may be caused by eruption of highly fractionated strongly magnetized basalts at ridge axis discontinuities with both...reduced magma supply near the end points of each segment may result in short-lived transient magma chambers whose eruptive products become highly

  17. Mixed 1D-2D inorganic polymeric zinc ferrocenylphosphonate: crystal structure and electrochemical study.

    PubMed

    Oms, Olivier; Le Bideau, Jean; Leroux, Fabrice; van der Lee, Arie; Leclercq, Dominique; Vioux, André

    2004-09-29

    Needs for ferrocene immobilization on robust host structures are considerable since derivative materials may find applications in medical areas, optical devices, or catalysis. Synthesis of phosphonate functionalized ferrocene allowed its subsequent inorganic polymerization with a zinc salt. The crystallographic structure of the compound obtained, Zn(HO(3)PFc)(2).2H(2)O, shows a unique two-dimensional ferrocene arrangement anchored on a one-dimensional Zn-O-P-O-Zn backbone. The ferrocene packing in the title compound is very similar to the packing found in molecular ferrocene. The electroactivity of Zn(HO(3)PFc)(2).2H(2)O is thoroughly studied. It shows a reversible surface oxidation of ferrocene. Mössbauer spectroscopy for the oxidized compound shows an isomer shift of IS(2b) = 0.432 mm x s(-1) and a quadrupolar splitting of QS(2b) = 0.205 mm x s(-1), which is consistent with a stable S = 1/2 ferrocenium state. The magnetic susceptibility study, Mössbauer spectroscopy, and galvanostatic titration show that only the ferrocene moieties present at the surface of the crystallites are reversibly oxidized. This observation is reinforced by a complex impedance study showing mainly resistive behavior and conductivity measurements indicating weak, thermally assisted, conductivity. The general properties of this compound demonstrate that phosphonato functionalization may be a useful approach for all fields concerned by immobilization of ferrocene.

  18. 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.

  19. 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}.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

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

    PubMed

    Vergara, Fredd; Shino, Amiu; Kikuchi, Jun

    2016-09-02

    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-(13)C 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.

  10. 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.

  11. Experimental study of particle size segregation in 2D granular materials under vertical vibrations

    NASA Astrophysics Data System (ADS)

    Jongchansitto, Pawarut; Kanyalert, Thuwachit; Preechawuttipong, Itthichai

    2017-06-01

    The influence of particle size on segregation phenomena in two-dimensional binary granular mixtures with a similar solid fraction under vertical vibrations is experimentally investigated in this study. Four different particle size ratios (Dl/Ds) are varied. The granular mixtures are subjected to vertical vibrations under six different dimensionless accelerations (Γ = 1-6), with constant vibrational amplitude of 5 mm. The vertical segregation coefficient (H) is here introduced to analyse the degree of segregation of the mixtures. We found that the Brazil nut effect, where the larger particle rises to the top, is observed for all the tests whenever the segregation is occurred. The degree of segregation of the mixtures is a function of the coefficient H, which can be divided into 3 zones: a compaction zone with particle mixing (0.0 < H ≤ 0.2), a partially segregated zone (0.2 < H ≤ 0.4), and an apparently segregated zone (0.4 < H ≤ 1.0). The segregation begins when Γ ≥ 2 and then tends to increase when Γ is increased. In addition, the segregation is quite clearly found when Dl/Ds ≥ 3 and Γ ≥3.

  12. 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.

  13. 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

  14. 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

  15. 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

  16. DynEarthSol2D: An efficient unstructured finite element method to study long-term tectonic deformation

    NASA Astrophysics Data System (ADS)

    Choi, E.; Tan, E.; Lavier, L. L.; Calo, V. M.

    2013-05-01

    Many tectonic problems require to treat the lithosphere as a compressible elastic material, which can also flow viscously or break in a brittle fashion depending on the stress level applied and the temperature conditions. We present a flexible methodology to address the resulting complex material response, which imposes severe challenges on the discretization and rheological models used. This robust, adaptive, two-dimensional, finite element method solves the momentum balance and the heat equation in Lagrangian form using unstructured meshes. An implementation of this methodology is released to the public with the publication of this paper and is named DynEarthSol2D (available at http://bitbucket.org/tan2/dynearthsol2). The solver uses contingent mesh adaptivity in places where shear strain is focused (localization) and a conservative mapping assisted by marker particles to preserve phase and facies boundaries during remeshing. We detail the solver and verify it in a number of benchmark problems against analytic and numerical solutions from the literature. These results allow us to verify and validate our software framework and show its improved performance by an order of magnitude compared against an earlier implementation of the Fast Lagrangian Analysis of Continua algorithm.

  17. Localized time-lapse elastic waveform inversion using wave-equation redatuming method: 2D parametric studies

    NASA Astrophysics Data System (ADS)

    Yuan, S.; Fuji, N.; Singh, S. C.; Borisov, D.

    2016-12-01

    We present a novel methodology to invert seismic data locally through the combination of wavefield injection and extrapolation method. Seismic full waveform inversion has proved its promising resolving power in seismology community for these decades. However, the computational cost for 3D practical scale elastic or viscoelastic waveform inversion remains still challenging. The computational cost is much more severe for time-lapse surveys, which requires real-time model estimation on a daily or weekly basis. Besides, changes of the structures during time-lapse surveys are likely to occur within a smaller area, such as oil and gas reservoir or CO2 injection wells. We propose methods that effectively and quantitatively image the localized structure change relatively far from source and receiver arrays. We thus have to perform both forward modeling and waveform inversions inside the region that contain neither source nor receiver. Firstly, we look for the equivalent source expression inside the region of interest by wavefield injection method. Secondly, we extrapolate wavefield from physical receivers to an array of virtual receivers by using correlation-type representation theorem. In this paper, we present elastic 2D numerical examples of our methods and quantitatively evaluate errors of obtained models, in comparison with those from full-model inversions. The results show that the proposed localized waveform inversion is more efficient, accurate and robust even under existence of errors in both initial models and data.

  18. 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%.

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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).

  4. 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.

  5. The dynamics of peptide-water interactions in dialanine: An ultrafast amide I 2D IR and computational spectroscopy study

    NASA Astrophysics Data System (ADS)

    Feng, Chi-Jui; Tokmakoff, Andrei

    2017-08-01

    We present a joint experimental and computational study of the dynamic interactions of dialanine (Ala-Ala) with water, comparing the results of ultrafast 2D IR and infrared transient absorption spectroscopy of its amide I vibration with spectra modeled from molecular dynamics (MD) simulations. The experimental data are analyzed to describe vibrational frequency fluctuations, vibrational energy relaxation, and chemical exchange processes. The origin of these processes in the same underlying fluctuating forces allows a common description in terms of the fluctuations and conformational dynamics of the peptide and associated solvent. By comparing computational spectroscopy from MD simulations with multiple force fields and water models, we describe how the dynamics of water hydrogen bond fluctuations and switching processes act as a source of friction that governs the dephasing and vibrational relaxation, and provide a description of coupled water and peptide motions that give rise to spectroscopic exchange processes.

  6. Atomic Resolution Study of the Interfacial Bonding at Si3N4/CeO_(2-d) Grain Boundaries

    SciTech Connect

    Walkosz, Weronika; Klie, Robert F; Ogut, Serdar; Borisevich, Albina Y; Becher, Paul F; Pennycook, Stephen J; Idrobo Tapia, Juan C

    2008-01-01

    Using a combination of atomic-resolution Z-contrast imaging and electron energy-loss spectroscopy (EELS) in the scanning transmission electron microscope, we examine the atomic and electronic structures at the interface between Si{sub 3}N{sub 4} (10{bar 1}0) and CeO{sub 2-d} intergranular film (IGF). Ce atoms are observed to segregate to the interface in a two-layer periodic arrangement, which is significantly different from the structure observed in a previous study. Our EELS experiments show (i) oxygen in direct contact with the terminating Si{sub 3}N{sub 4} open-ring structures, (ii) a change in the Ce valence from a nominal oxidation state of +3 to almost +4 moving from the interface into the IGF, and (iii) a uniform concentration of Si in the film.

  7. 2D-3D transition for cationic and anionic gold clusters: a kinetic energy density functional study.

    PubMed

    Ferrighi, Lara; Hammer, Bjørk; Madsen, Georg K H

    2009-08-05

    We present a density functional theory study of the energetics of isolated Au(n)+ (n = 5-10) and Au(n)- (n = 8-13) gold clusters. We compare our results to both theoretical and experimental values from the literature and find the use of meta-generalized gradient approximation (MGGA) functionals, in particular the M06-L functional, to be of importance in order to match experiment. The M06-L values suggest crossovers between 2D and 3D structures at n = 8 and 12 for cationic and anionic clusters, respectively. We suggest that the MGGA's stronger tendency toward 3D structures arises from their smaller gradient enhancement. Moreover, we show how MGGAs, in contrast to generalize gradient approximations with smaller gradient enhancements, avoid overestimating the bond energies by combining the information contained in the reduced gradient and the kinetic energy. This allows MGGAs to treat differently the exchange enhancement in the decaying density and bonding regions.

  8. 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.

  9. Impact of CYP2D6 genotype on amitriptyline efficacy for the treatment of diabetic peripheral neuropathy: a pilot study.

    PubMed

    Chaudhry, Mamoonah; Alessandrini, Marco; Rademan, Jacobus; Dodgen, Tyren M; Steffens, Francois E; van Zyl, Danie G; Gaedigk, Andrea; Pepper, Michael S

    2017-04-01

    Therapy with low-dose amitriptyline is commonly used to treat painful diabetic peripheral neuropathy. There is a knowledge gap, however, regarding the role of variable CYP2D6-mediated drug metabolism and side effects (SEs). We aimed to generate pilot data to demonstrate that SEs are more frequent in patients with variant CYP2D6 alleles. To that end, 31 randomly recruited participants were treated with low-dose amitriptyline for painful diabetic peripheral neuropathy and their CYP2D6 gene sequenced. Patients with predicted normal or ultra-rapid metabolizer phenotypes presented with less SEs compared with individuals with decreased CYP2D6 activity. Hence, CYP2D6 genotype contributes to treatment outcome and may be useful for guiding drug therapy. Future investigations in a larger patient population are planned to support these preliminary findings.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. Development of an Integrated DHSVM-Flood2D-GPU modeling framework - A Case Study for the Alabama-Coosa-Tallapoosa River Basin

    NASA Astrophysics Data System (ADS)

    Dullo, T. T.; Kalyanapu, A. J.; Gangrade, S.; Marshall, R.; Islam, S. R.; Ghafoor, S. K.; Kao, S. C.; Preston, B. L.

    2016-12-01

    The objective of this study is to develop an integrated and computationally-efficient hydrologic-hydraulic modeling framework that couples a spatially distributed hydrologic model (DHSVM) with a high-resolution GPU-accelerated flood model (Flood2D-GPU). Taking Alabama-Coosa-Tallapoosa (ACT) river basin as a test bed, hydrologic simulation is conducted using a 90m resolution DHSVM hydrologic model that can be driven by observed precipitation or simulated meteorology from Weather Research Forecasting (WRF) model. The DHSVM hydrograph along with 10m resolution digital elevation and estimated bed roughness are then used to conduct high resolution flood simulation using an accelerated Flood2D-GPU model. A model to model comparison is performed for the Carrollton City, GA, located inside the ACT river basin by examining the difference between the maximum flood inundation extents obtained from Flood2D-GPU and a commonly-used single-CPU Flo-2D model. The comparison shows that Flood2D-GPU can largely reduce the required simulation time while being able to provide similar results to Flo-2D. Our next step is to scale up the simulation framework for larger domain and for more parallel ensemble members utilizing high-performance computing. We expect that this integrated DHSVM-Flood2D-GPU modeling framework can support hydroclimate researchers evaluating the flood risks on our sensitive energy-water infrastructures in a more efficient manner.

  17. 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.

  18. 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.

  19. Numerical studies of a red blood cell in rectangular microchannels

    NASA Astrophysics Data System (ADS)

    Ye, Ting; Shi, Huixin; Peng, Lina; Li, Yu

    2017-08-01

    The study of red blood cells (RBCs) flowing through rectangular microchannels has attracted an increasing interest, because most of the current microfluidic chips are designed as rectangular microchannels for the purpose of easy fabrication. In this paper, we numerically investigate the 3D motion and deformation of a RBC in rectangular microchannels, by using the smoothed dissipative particle dynamics to model the fluid flow and coupling the immersed boundary method to treat the fluid-RBC interaction. We have considered several fundamental questions concerned in experiments, including the effect of the mechanical properties of RBC, the initial position and orientation of RBC, as well as the asymmetry of the microchannel. In addition, we have demonstrated the differences among the fully 3D, axisymmetric, and 2D simulations of a RBC in microchannels.

  20. A Numerical Study of Thunderstorm Electrification

    DTIC Science & Technology

    1994-01-04

    3460trwofra Rtdum .Prtcjtt M704-011~W18).*4b’r`9’t D~C 20OC3 C. TITLE AND SUBTITLE 5. FUNDING NUMBERS A NUMERICAL STUDY OF THUNDERSTORM ELECTRIFICATION ...Maximum 200 words) The purpose of this research was to pursue further understanding of cloud electrification through three separate projects. First... electrification depends on the time during which strong updrafts remain-within.,the charging’zone. II~b Second, a simple numerical lightning model

  1. 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.

  2. Performance of 2-D ultrasound shear wave elastography in liver fibrosis detection using magnetic resonance elastography as the reference standard: A pilot study

    PubMed Central

    Song, Pengfei; Mellema, Daniel C.; Sheedy, Shannon P.; Meixner, Duane D.; Karshen, Ryan M.; Urban, Matthew W.; Manduca, Armando; Sanchez, William; Callstrom, Matthew R.; Greenleaf, James F.; Chen, Shigao

    2015-01-01

    Objective To investigate the correlation between 2-D ultrasound shear wave elastography (SWE) and magnetic resonance elastography (MRE) in liver stiffness measurement and the diagnostic performance of 2-D SWE for liver fibrosis when imaging from different intercostal spaces and using MRE as the reference standard. Methods 2-D SWE was performed on 47 patients (22 females and 25 males, age 19–77) using the GE LOGIQ E9 scanner. Each of the 47 patients had same day MRE obtained for clinical purposes. The study was HIPAA-compliant and approved by the institutional review board. Informed consent was obtained from each subject. 2-D SWE measurements were acquired from the 9th, 8th, and 7th intercostal spaces. Correlation with MRE was calculated at each intercostal space and multiple intercostal spaces combined. The performance of 2-D SWE in diagnosing liver fibrosis was evaluated with receiver operating characteristic (ROC) curve analysis using MRE as the standard. Results The highest correlation between 2-D SWE and MRE was from the 8th and 7th intercostal spaces (r = 0.68 – 0.76). The range of the areas under the ROC curve for separating normal or inflamed livers from fibrotic livers using MRE as the clinical reference were 0.84 – 0.92 when using 8th and 7th intercostal spaces individually, and 0.89 –0.9 when combined. Conclusion The results suggest that 2-D SWE and MRE are well correlated when SWE is performed at the 8th and 7th intercostal spaces. The 9th intercostal space is less reliable for diagnosing fibrosis using 2-D SWE. Combining measurements from multiple intercostal spaces does not significantly improve 2-D SWE performance for the detection of fibrosis. PMID:26782164

  3. 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.

  4. Molecular docking studies and 2D analyses of DPP-4 inhibitors as candidates in the treatment of diabetes.

    PubMed

    Pantaleão, Simone Queiroz; Maltarollo, Vinicius Gonçalves; Araujo, Sheila Cruz; Gertrudes, Jadson Castro; Honorio, Kathia Maria

    2015-11-01

    Dipeptidyl peptidase-4 (DPP-4) is an important biological target related to the treatment of diabetes as DPP-4 inhibitors can lead to an increase in the insulin levels and a prolonged activity of glucagon-like peptide-1 (GLP-1) and gastric inhibitory polypeptide (GIP), being effective in glycemic control. Thus, this study analyses the main molecular interactions between DPP-4 and a series of bioactive ligands. The methodology used here employed molecular modeling methods, such as HQSAR (Hologram Quantitative Structure-Activity) analyses and molecular docking, with the aim of understanding the main structural features of the compound series that are essential for the biological activity. Analyses of the main interactions in the active site of DPP-4, in particular, the contribution of the hydroxyl coordination between Tyr547 and Ser630 by the water molecule, which is described in the literature as important for the coordinated interactions in the active site, were performed. Significant correlation coefficients of the best 2D model (r(2) = 0.942 and q(2) = 0.836) were obtained, indicating the predictive power of this model for untested compounds. Therefore, the final model constructed in this study, along with the information from the contribution maps, could be useful in the design of novel DPP-4 ligands with improved activity.

  5. 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.

  6. Numerical study of external burning flowfields

    NASA Astrophysics Data System (ADS)

    Bittner, Robert D.; McClinton, Charles R.

    1991-06-01

    This paper demonstrates the successful application of CFD to modeling an external burning flowfield. The study used the 2D, 3D, and PNS versions of the SPARK code. Various grids, boundary conditions, and ignition methodologies have been employed. Flameholding was achieved through the use of a subsonic outflow condition and a hot block located behind the step to ignite the fuel. Since the resulting burning produces a large subsonic region downstream of the cowl, this entire surface can be pressurized to the level of the back pressure. An evaluation of interactions between the ramjet exhaust and the external burning products demonstrate the complexity of this design issue. Ths code is now capable of evaluating the external burning effectiveness for flight vehicles using simple injector schemes, and the methodology can be readily applied to other external burning designs.

  7. 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.

  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. Digit ratio (2D:4D): Is it possible to use it for sex determination in the study of human skeletal remains?

    PubMed

    Bakholdina, Varvara Yu; Movsesian, Alla A; Sineva, Irina M

    2016-07-01

    Sexual dimorphism in the relative length of the second-to-fourth digits (the digit ratio, or 2D:4D) in humans has been reported in many studies. The aim of our study was to ascertain possibility of using the 2D:4D ratio as an additional marker for sex determination in the study of human skeletal remains. We have studied 2D:4D ratios obtained from measurements of finger phalanges and metacarpal bones in Russian (45 adult males and 26 adult females) and German (58 adult males and 29 adult females) skeletal series. The difference in 2D:4D ratio between the male and female subsamples in both skeletal series was not statistically significant. Analysis of variance revealed that the 2D:4D ratios in our sample varied more by ethnicity than by the sexual identity of the skeletal material. Our results suggest that the 2D:4D ratio cannot be used as an appropriate trait for the sex determination of human skeletal remains. Am. J. Hum. Biol. 28:591-593, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  10. 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.

  11. 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.

  12. 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.

  13. 2D µ-Particle Image Velocimetry and Computational Fluid Dynamics Study Within a 3D Porous Scaffold.

    PubMed

    Campos Marin, A; Grossi, T; Bianchi, E; Dubini, G; Lacroix, D

    2017-05-01

    Transport properties of 3D scaffolds under fluid flow are critical for tissue development. Computational fluid dynamics (CFD) models can resolve 3D flows and nutrient concentrations in bioreactors at the scaffold-pore scale with high resolution. However, CFD models can be formulated based on assumptions and simplifications. μ-Particle image velocimetry (PIV) measurements should be performed to improve the reliability and predictive power of such models. Nevertheless, measuring fluid flow velocities within 3D scaffolds is challenging. The aim of this study was to develop a μPIV approach to allow the extraction of velocity fields from a 3D additive manufacturing scaffold using a conventional 2D μPIV system. The μ-computed tomography scaffold geometry was included in a CFD model where perfusion conditions were simulated. Good agreement was found between velocity profiles from measurements and computational results. Maximum velocities were found at the centre of the pore using both techniques with a difference of 12% which was expected according to the accuracy of the μPIV system. However, significant differences in terms of velocity magnitude were found near scaffold substrate due to scaffold brightness which affected the μPIV measurements. As a result, the limitations of the μPIV system only permits a partial validation of the CFD model. Nevertheless, the combination of both techniques allowed a detailed description of velocity maps within a 3D scaffold which is crucial to determine the optimal cell and nutrient transport properties.

  14. 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.

  15. 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.

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

    PubMed

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

    2012-01-01

    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. 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, agar dilution plate

  17. 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

  18. 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.

  19. Does the index-to-ring finger length ratio (2D:4D) differ in amyotrophic lateral sclerosis (ALS)? Results from an international online case-control study.

    PubMed

    Parkin Kullmann, Jane Alana; Pamphlett, Roger

    2017-08-07

    The ratio of the length of the index finger (2D) to the ring finger (4D) (2D:4D) has been reported to be lower (ie, 2D<4D) in people with amyotrophic lateral sclerosis (ALS) than non-ALS controls. This has led to suggestions that exposure to increased prenatal testosterone, which also lowers this ratio, could be a risk factor for ALS. In an attempt to test this hypothesis, we examined 2D:4Ds from large numbers of patients with ALS and controls. An online multilingual questionnaire enabling respondents to measure their own index and ring finger lengths. Of the initial 949 respondents, 572 remained for analysis after elimination for inability to straighten fingers, not answering the question, statistical outliers and aged <40 years. Respondents remaining for analysis were 202 patients with ALS (125 males, 77 females) and 370 non-ALS controls (112 males, 258 females). Unpaired t-tests with 95% CIs were used to assess differences in mean 2D:4Ds. Males had significantly lower mean 2D:4Ds than females, in both ALS and control groups, for both left and right hands. No significant differences were found in 2D:4Ds between ALS and control groups, in either males or females, for either left or right hands. Receiver operating characteristic curves showed no power for 2D:4Ds to predict ALS status in either males or females. 2D:4Ds did not differ between patients with ALS and controls in this study. This was despite the dataset being large enough to confirm the established finding of lower 2D:4Ds in males compared with females. These findings do not support the hypothesis that exposure to increased prenatal testosterone is a risk factor for ALS. A putative lower 2D:4D has been proposed to explain the link between ALS and exercise, but our results indicate that other exercise-related factors are more likely to explain this association. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is

  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. Unraveling the role of mechanical stimulation on smooth muscle cells: A comparative study between 2D and 3D models.

    PubMed

    Bono, N; Pezzoli, D; Levesque, L; Loy, C; Candiani, G; Fiore, G B; Mantovani, D

    2016-10-01

    A thorough understanding of cell response to combined culture configuration and mechanical cues is of paramount importance in vascular tissue engineering applications. Herein, we investigated and compared the response of vascular smooth muscle cells (vSMCs) cultured in different culture environments (2D cell monolayers and 3D cellularized collagen-based gels) in combination with mechanical stimulation (7% uniaxial cyclic strain, 1 Hz) for 2 and 5 days. When cyclic strain was applied, two different responses, in terms of cell orientation and expression of contractile-phenotype proteins, were observed in 2D and 3D models. Specifically, in 2D configuration, cyclic strain caused ∼50% of cell population to align nearly perpendicular (80-90 degrees) to the strain direction, while not influencing the contractile-phenotype protein expression, as compared to the 2D static controls. Conversely, the application of uniaxial strain to 3D constructs induced a ∼60% cell alignment almost parallel (0-10 degrees) to the strain direction. Moreover, 3D mechanical stimulation applied for 5 days induced a twofold increase of SM α-actin level and a 14-fold increase of calponin expression as compared to 3D static controls. Altogether these findings provide a new insight into the potential to drive cell behavior by modulating the extracellular matrix and the biomechanical environment. Biotechnol. Bioeng. 2016;113: 2254-2263. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  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. Analysis of the Pelvic Functional Orientation in the Sagittal Plane: A Radiographic Study With EOS 2D/3D Technology.

    PubMed

    Loppini, Mattia; Longo, Umile Giuseppe; Ragucci, Pasquala; Trenti, Nicoletta; Balzarini, Luca; Grappiolo, Guido

    2017-03-01

    We investigated the relationship between pelvic incidence (PI) with anterior pelvic plane angle (APPA), pelvic tilt (PT) angle, and sacral slope (SS) in standing and sitting positions to identify the best parameter expressing the pelvic functional orientation in the sagittal plane. We enrolled 109 consecutive patients (M:F = 43:66) eligible for a primary total hip arthroplasty (THA) with an average age of 63.4 years (15-85). EOS 2D/3D radiography was performed in standing and sitting positions before THA to evaluate the functional pelvic orientation. 3D images took into account the patient-specific sagittal balance measuring APPA, PT, SS, and PI. In standing position, functional parameters measured 5° ± 7.1 for APPA, 11° ± 8.3 for PT, 43° ± 8.5 for SS, and 53° ± 10.9 for PI. In sitting position, they were -18° ± 10.4 for APPA, 34° ± 11.8 for PT, 20° ± 12.6 for SS, and 54° ± 10.9 for PI. There was no significant difference between men and women in terms of the functional parameters in both positions. No relationship was found between APPA and PI in both positions. SS correlated with PI in standing (r = 0.66; P < .0001; R(2) = 0.44) and sitting (r = 0.51; P < .0001; R(2) = 0.26). PT correlated with PI in standing (r = 0.65; P < .0001; R(2) = 0.42) and sitting (r = 0.38; P < .0001; R(2) = 0.14). SS shows the highest correlation with functional pelvic tilt. The study suggests that adjustments in acetabular anteversion during primary THA should be based on SS. Copyright © 2016 Elsevier Inc. All rights reserved.

  4. 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.

  5. 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.

  6. 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.

  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. 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.

  9. 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.

  10. A proteomic study of Hutchinson-Gilford progeria syndrome: Application of 2D-chromotography in a premature aging disease.

    PubMed

    Wang, Li; Yang, Wu; Ju, Weina; Wang, Peirong; Zhao, Xinliang; Jenkins, Edmund C; Brown, W Ted; Zhong, Nanbert

    2012-01-27

    The Hutchinson-Gilford progeria syndrome (HGPS) is a rare genetic disease characterized by segmental premature aging. Applying a two-dimensional chromatographic proteomic approach, the 2D Protein Fractionation System (PF2D), we identified 30 differentially expressed proteins in cultured HGPS fibroblasts. We categorized them into five groups: methylation, calcium ion binding, cytoskeleton, duplication, and regulation of apoptosis. Among these 30 proteins, 23 were down-regulated, while seven were up-regulated in HGPS fibroblasts as compared to normal fibroblasts. Three differentially expressed cytoskeleton proteins, vimentin, actin, and tubulin, were validated via Western blotting and characterized by immunostaining that revealed densely thickened bundles and irregular structures. Furthermore in the HGPS cells, the cell cycle G1 phase was elongated and the concentration of free cytosolic calcium was increased, suggesting intracellular retention of calcium. The results that we obtained have implications for understanding the aging process.

  11. Source rock potential analysis using rock physics approach and 2D seismic data inversion: case study of Great Australian Bight

    NASA Astrophysics Data System (ADS)

    Shulakova, V.

    2015-12-01

    The quantity of total organic carbon (TOC) and its type determine the ability of source rocks to generate hydrocarbons. Thus, the quantification of TOC content is an essential part of any reservoir characterisation project. Traditionally TOC is estimated from geochemical analysis of core samples. In this case the results are limited spatially by a well location as well as vertically by a number of tested samples. At the same time TOC vertical variability might be very high, changing every 1-3 m. The several methods have been deployed to estimate TOC from well-log data which provides continuous vertical profile estimations. The basin wide information might be provided by the utilization of seismic surveys. The methodology of mapping source rocks based on seismic data has been lately reported to be successful for the thick source rocks (>20 m) with relatively high TOC values up to 3-4% (Løseth et al., 2011). We employ the described approach and demonstrate our findings for a case study from Ceduna Basin (Great Australian Bight, Australia). The reported TOC values estimated from the cores go up to only 1.3%. The organic matter is contained in thin layers of claystones interlayered with sandstones. The workflow included TOC estimation from the well-log data and then seismic data inversion performed in JasonTM software. The inverted acoustic impedance decreases nonlinearly with increasing TOC content. The obtained results comprises 2D section of TOC distribution. The calculated TOC values are in a good agreement with the results of laboratory measurements. The results of this study show that TOC can be successfully estimated from seismic data inversion even in the case of low organic matter values. Further work has to be done to understand whether this approach works for different types of organic matter and stages of its maturation. Løseth H., Wensaas L., Gading M., Duffaut K., Springer M. 2001. Can hydrocarbon source rocks be identified on seismic data? Geology 39/12.

  12. Evaluating a 1D and 2D water quality modeling framework: A case study of the lower Bode River, Germany

    NASA Astrophysics Data System (ADS)

    Sinha, Sumit; Rode, Michael; Borchardt, Dietrich

    2014-05-01

    The Bode River catchment in the Harz Mountain area of central Germany is heavily influenced by anthropogenic factors. 70% of the catchment is dominated by agriculture, 23 % by forest and the rest 7% is urban in nature. The area of the catchment is approximately 3300 km2 and is characterized by sharp gradients in temperature, precipitation and land use. In order to acquire better understanding of the hydrological nature of the catchment and biogeochemical characteristics of the Bode River various monitoring stations have been deployed as a part of the larger earth observation network initiative named Terrestrial Environmental Observatories. One of the major issues with the catchment is the problem of eutrophication due to solute inputs from agriculture. The research presented here evaluated the application and development of 1D and 2D hydrodynamic and water quality models in the downstream area of the Bode River. A stretch of 30 kms between Hadmersleeben and Stassfurt in the downstream area of the Bode River was modeled using 1D model HEC-RAS, the focus of the water quality modeling was transport and uptake of nitrate in the aforementioned modeled stretch. Flood events of varying peak magnitude at different times of the year were modeled. As regards to 2D modeling, TELEMAC-2D model was applied for the same reach. The hydrodynamic simulation results were validated with the help of free surface elevation at Athensleben, 8 kms upstream from the downstream end at Stassfurt. Water quality modeling, focusing on the Nitrate removal for the aforementioned stretch, is applied and developed for both 1D and 2D modeling framework. Results from hydrodynamic and water quality modeling were validated with RMSE (Root Mean Square Error) value of 0.074 and 0.36 for the modeled state variables across various events simulated. For the nutrient-rich reach modeled in this research it was found that the nutrient removal capacity of the stream is directly proportional to the incoming

  13. 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.

  14. 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.

  15. A feasibility study of novel ultrasonic tissue characterization for prostate-cancer diagnosis: 2D spectrum analysis of in vivo data with histology as gold standard

    PubMed Central

    Liu, Tian; Mansukhani, Mahesh M.; Benson, Mitchell C.; Ennis, Ronald; Yoshida, Emi; Schiff, Peter B.; Zhang, Pengpeng; Zhou, Jun; Kutcher, Gerald J.

    2009-01-01

    This study demonstrates the feasibility of using a novel 2D spectrum ultrasonic tissue characterization (UTC) technique for prostate-cancer diagnosis. Normalized 2D spectra are computed by performing Fourier transforms along the range (beam) and the cross-range directions of the digital radio-frequency echo data, then dividing by a reference spectrum. This 2D spectrum method provides axial and lateral information of tissue microstructures, an improvement over the current 1D spectrum analysis which only provides axial information. A pilot study was conducted on four prostate-cancer patients who underwent radical prostatectomies. Cancerous and noncancerous regions of interest, identified through histology, were compared using four 2D spectral parameters: peak value and 3 dB width of the radially integrated spectral power (RISP), slope and intercept of the angularly integrated spectral power (AISP). For noncancerous and cancerous prostatic tissues, respectively, our investigation yielded 23±1 and 26±1 dB for peak value of RISP, 7.8±0.5° and 7.6±0.6° for 3 dB of RISP, −2.1±0.2 and −2.7±0.4 dB∕MHz for slope of AISP, and 92±5 and 112±6 dB for intercept of AISP. Preliminary results indicated that 2D spectral UTC has the potential for identifying tumor-bearing regions within the prostate gland. PMID:19746784

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. Dosimetric prospective study comparing 2D and 3D planning for irradiation of supraclavicular and infraclavicular regions in breast cancer patients.

    PubMed

    Barsoum, Mohsen; Mostafa, Magda; El Hossieny, Hisham; Nasr, Azza; Mahmoud, Mohamed; Fouda, Sally

    2015-03-01

    The purpose of this study is to compare 2D plan and 3D plan regarding coverage of the target (supraclavicular and infraclavicular regions) and dose reaching the risk organs (using mean DVH). Depending on the results of this study, modifications can be made to the 2D conventional planning of supraclavicular and infraclavicular regions in order to achieve better coverage of the target tissues. This is a dosimetric study carried out at the radiation oncology department in NCI-Cairo University in the period from January 2012 to October 2012, on 15 patients with breast cancer who are eligible for supraclavicular and infraclavicular irradiation. For All patients, a 2D and a 3D plan were done. We found that the coverage of the supraclavicular and infraclavicular regions and the chest wall or breast together with levels I and II axilla (PTV) were significantly better with the 3D technique with less over dose than the 2D technique. That difference was highly significant and was most evident in MRM cases. Also we found that organs at risk received a dose in the 3D technique that was more than that received in the 2D technique, again that difference was highly significant and was also most evident in MRM cases but all doses were still within tolerance. From the present study we concluded that the coverage of the supraclavicular and infraclavicular PTV is significantly worse with the 2D technique using a single oblique field at a fixed depth of 3 cm for all patients despite their different builts. Copyright © 2014. Production and hosting by Elsevier B.V.

  1. 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".

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Numerical study of a magnesium hydride tank

    NASA Astrophysics Data System (ADS)

    Delhomme, Baptiste; de Rango, Patricia; Marty, Philippe

    2012-11-01

    Hydrogen storage in metal hydride tanks (MHT) is a very promising solution. Several experimental tanks, studied by different teams, have already proved the feasibility and the interesting performances of this solution. However, in much cases, an optimization of tank geometry is still needed in order to perform fast hydrogen loading. The development of efficient numerical tools is a key issue for MHT design and optimization. We propose a simple model representing a metal hydride tank exchanging its heat of reaction with a thermal fluid flow. In this model, the radial and axial discretisations have been decoupled by using Matlab® one-dimensional tools. Calculations are compared to experimental results obtained in a previous study. A good agreement is found for the loading case. The discharging case shows some discrepancies, which are discussed in this paper.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. The correlation of right 2D:4D finger length ratio to the low-grade inflammation marker IL-6 in children. The Healthy Growth Study.

    PubMed

    Androutsos, Odysseas; Moschonis, George; Koumpitski, Alexandra; Mantzou, Aimilia; Roma-Giannikou, Eleftheria; Chrousos, George P; Manios, Yannis; Kanaka-Gantenbein, Christina

    2014-01-01

    Second to fourth digit ratio (2D:4D) is associated with cardiometabolic risk in adults. To examine the association of right 2D:4D with cardiovascular disease risk factors in children. Cross-sectional study. A sample of 301 children (53.5% girls) aged 9-13 in Greece and their parents. Children who were sick during the previous week of examination (n=44) were excluded from the analyses. Socio-demographic (gestational age, birth weight, age, gender, maternal education level), anthropometric (body weight and height, finger length), clinical (pubertal stage, sickness during the previous week of the examination), blood [serum high sensitivity C-reactive protein (CRP), serum high sensitivity interleukin-6 (IL-6), serum leptin], lifestyle (dietary intake, maternal smoking during pregnancy) and physical fitness (handgrip strength) data were collected. CRP, IL-6 and leptin were measured with ELISA, using standard equipment and procedures, in accordance with manufacturers' instructions. Full data were available for 257 children (52.1% girls). The rank values of right 2D:4D and IL-6 were included in the analyses. Right 2D:4D was correlated only with IL-6 at a bivariate level (r=0.216, p=0.012) in girls. At a linear multivariate level, this association remained significant, even after adjusting for several potential confounders such as age, Tanner stage, maternal education level, body mass index, maternal smoking during pregnancy, duration of pregnancy, protein-, carbohydrate-, fat-intake and physical fitness (β±SE=0.220±0.066, p=0.001). Right 2D:4D was found to be associated with IL-6 in girls. Right 2D:4D may be a valuable, simple screening tool of low-grade inflammation in children. © 2013 Elsevier Ireland Ltd. All rights reserved.

  12. Numerical Study of Phase Conjugation in Stimulated Backscatter with Pump Depletion.

    DTIC Science & Technology

    1982-09-17

    stimulated Brillouin scattering (SBS) of coherent beams was studied numerically, using a steady state 2D propagation code ( BOUNCE ). The present work...treats phase conjugation of a focused aberrated beam, using a modified version of BOUNCE that has been extended to include pump depletion. In all of the...which is contained within a region zi < z < z2. BOUNCE solves Eqs. (1), assuming the aberrated pump wave is incident at z2, while the backscatter grows

  13. Numerical study of magnetic reconnection in merging flux tubes

    NASA Astrophysics Data System (ADS)

    Breslau, Joshua Adam

    2001-09-01

    A comprehensive 2D numerical study of magnetic reconnection in merging magnetic islands has been conducted using a new parallel resistive MHD/two-fluid code developed for the purpose. The code's variable resolution and parallel scalability make it possible to resolve both the narrow reconnection boundary layer and the global plasma, and to follow the evolution of both from triple-island to single-island equilibrium. An initial resistive MHD study showed slow reconnection in strong agreement with the Sweet-Parker model. Subsequent studies were conducted to compare two proposed mechanisms for increasing the reconnection rate: anomalous localized enhanced resistivity and two-fluid effects, which enter the fluid equations via the Hall term in Ohm's law. Both anomalous resistivity and the Hall term showed a clear tendency to increase the reconnection rate significantly and to eliminate its dependence on the resistivity. In both cases, this effect is associated with a broadening of the toroidal current sheet and consequently with an opening of the angle of the X-point at the field null. These faster reconnection rates are in better agreement with observational and experimental data.

  14. 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.

  15. 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.

  16. Numerical simulations to study solar wind turbulence

    SciTech Connect

    Sharma, R. P.; Sharma, Nidhi; Kumar, Sanjay; Kumar, Sachin; Singh, H. D.

    2011-02-15

    Numerical simulation of coupled equations of kinetic Alfven wave (KAW) and ion acoustic wave is presented in the solar wind. The nonlinear dynamical equations satisfy the modified Zakharov system of equations by taking the nonadiabatic response of the background density. The ponderomotive nonlinearity is incorporated in the wave dynamics. The effect of Landau damping of KAW is taken into account. Localization of magnetic field intensity and the wavenumber spectra (perpendicular and parallel) of magnetic fluctuations are studied in solar plasmas around 1 a.u. Our results reveal the formation of damped localized structures and the steeper spectra that are in good agreement with the observations. These damped structures and steeper turbulent spectra can be responsible for plasma heating and particle acceleration in solar wind.

  17. 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.

  18. Potential 2D thermoelectric materials ATeI (A=Sb and Bi) monolayers from a first-principles study.

    PubMed

    Guo, San-Dong; Zhang, Ai-Xia; Li, Hui-Chao

    2017-08-21

    Lots of two-dimensional (2D) materials have been predicted theoretically, and further confirmed in experiment, which have wide applications in nanoscale electronic, optoelectronic and thermoelectric devices. In this work, the thermoelectric properties of ATeI (A=Sb and Bi) monolayers are systematically investigated according to semiclassical Boltzmann transport theory. It is found that spin-orbit coupling (SOC) has important effects on electronic transport coefficients in p-type doping, but neglectful influences on n-type ones. The room-temperature sheet thermal conductance is 14.2 $\\mathrm{W K^{-1}}$ for SbTeI and 12.6 $\\mathrm{W K^{-1}}$ for BiTeI, which are lower than ones of most well-known 2D materials, such as transition-metal dichalcogenide, group IV-VI, group-VA and group-IV monolayers. The very low sheet thermal conductance of ATeI (A=Sb and Bi) monolayers is mainly due to small group velocities and short phonon lifetimes. The strongly polarized covalent bonds between A and Te or I atoms induce strong phonon anharmonicity, which gives rise to low lattice thermal conductivity. It is found that the high-frequency optical branches contribute significantly to the total thermal conductivity, which is obviously different from usual picture with little contribution from optical branches. According to cumulative lattice thermal conductivity with respect to phonon mean free path (MFP), it is difficulty to further reduce lattice thermal conductivity by nanostructures. Finally, possible thermoelectric figure of merit $ZT$ values of ATeI (A=Sb and Bi) monolayers are calculated. It is found that the p-type doping has more excellent thermoelectric properties than n-type doping. At room temperature, the peak $ZT$ can reach 1.11 for SbTeI and 0.87 for BiTeI, respectively. These results make us believe that ATeI (A=Sb and Bi) monolayers may be potential 2D thermoelectric materials, and can stimulate further experimental works to synthesize these monolayers. © 2017 IOP

  19. 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.

  20. Theoretical study of polar and global ozone changes using a coupled radiative-dynamical 2-D model

    NASA Technical Reports Server (NTRS)

    Yang, H.; Tung, K. K.; Olaguar, E.

    1988-01-01

    An existing 2-D model has recently been updated to incorporate ozone-temperature feedbacks with more comprehensive radiative transfer calculations and more detailed temperature data input. Researchers address the following issues: (1) given the observed temperature changes for the past eight years, quantitatively how much ozone change can be produced by the dynamical effect of the temperature change over the Arctic and Antarctic; (2) how much of the reported change in globally averaged ozone can be accounted for by temperature changes; (3) the role of the diabatic circulation changes in the lower stratosphere in determining the timing of the polar spring maximum and minimum; and (4) the role of the seasonal change in the diabatic circulation in causing the fall minimum over the Arctic and Antarctic.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 2D and 3D separate and joint inversion of airborne ZTEM and ground AMT data: Synthetic model studies

    NASA Astrophysics Data System (ADS)

    Sasaki, Yutaka; Yi, Myeong-Jong; Choi, Jihyang

    2014-05-01

    The ZTEM (Z-axis Tipper Electromagnetic) method measures naturally occurring audio-frequency magnetic fields and obtains the tipper function that defines the relationship among the three components of the magnetic field. Since the anomalous tipper responses are caused by the presence of lateral resistivity variations, the ZTEM survey is most suited for detecting and delineating conductive bodies extending to considerable depths, such as graphitic dykes encountered in the exploration of unconformity type uranium deposit. Our simulations shows that inversion of ZTEM data can detect reasonably well multiple conductive dykes placed 1 km apart. One important issue regarding ZTEM inversion is the effect of the initial model, because homogeneous half-space and (1D) layered structures produce no responses. For the 2D model with multiple conductive dykes, the inversion results were useful for locating the dykes even when the initial model was not close to the true background resistivity. For general 3D structures, however, the resolution of the conductive bodies can be reduced considerably depending on the initial model. This is because the tipper magnitudes from 3D conductors are smaller due to boundary charges than the 2D responses. To alleviate this disadvantage of ZTEM surveys, we combined ZTEM and audio-frequency magnetotelluric (AMT) data. Inversion of sparse AMT data was shown to be effective in providing a good initial model for ZTEM inversion. Moreover, simultaneously inverting both data sets led to better results than the sequential approach by enabling to identify structural features that were difficult to resolve from the individual data sets.

  6. Calculation of wakefields in 2D rectangular structures

    DOE PAGES

    Zagorodnov, I.; Bane, K. L. F.; Stupakov, G.

    2015-10-19

    We consider the calculation of electromagnetic fields generated by an electron bunch passing through a vacuum chamber structure that, in general, consists of an entry pipe, followed by some kind of transition or cavity, and ending in an exit pipe. We limit our study to structures having rectangular cross section, where the height can vary as function of longitudinal coordinate but the width and side walls remain fixed. For such structures, we derive a Fourier representation of the wake potentials through one-dimensional functions. A new numerical approach for calculating the wakes in such structures is proposed and implemented in themore » computer code echo(2d). The computation resource requirements for this approach are moderate and comparable to those for finding the wakes in 2D rotationally symmetric structures. Finally, we present numerical examples obtained with the new numerical code.« less

  7. Spreading dynamics of 2D dipolar Langmuir monolayer phases.

    PubMed

    Heinig, P; Wurlitzer, S; Fischer, Th M

    2004-07-01

    We study the spreading of a liquid 2D dipolar droplet in a Langmuir monolayer. Interfacial tensions (line tensions) and microscopic contact angles depend on the scale on which they are probed and obey a scaling law. Assuming rapid equilibration of the microscopic contact angle and ideal slippage of the 2D solid/liquid and solid/gas boundary, the driving force of spreading is merely expressed by the shape-dependent long-range interaction integrals. We obtain good agreement between experiment and numerical simulations using this theory.

  8. 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.

  9. Do CYP2D6 genotypes reflect oxycodone requirements for cancer patients treated for cancer pain? A cross-sectional multicentre study.

    PubMed

    Andreassen, Trine Naalsund; Eftedal, Ingrid; Klepstad, Pål; Davies, Andrew; Bjordal, Kristin; Lundström, Staffan; Kaasa, Stein; Dale, Ola

    2012-01-01

    Opioids are recommended by the World Health Organization for moderate to severe cancer pain. Oxycodone is one of the most commonly used opioids and is metabolized in the liver by CYP3A4 and CYP2D6 enzymes. The aim of this cross-sectional study was to assess the relationship between oxycodone pharmacokinetics, pharmacodynamics and the CYP2D6 genotypes "poor metaboliser" (PM), "extensive metaboliser" (EM) and "ultra-rapid metaboliser" (URM) in a cohort of patients with cancer pain. The patients were genotyped for the most common CYP2D6 variants and serum concentrations of oxycodone and metabolites were determined. Pain was assessed using the Brief Pain Inventory (BPI). The EORTC QLQ-C30 was used to assess the symptoms of tiredness and nausea. Cognitive function was assessed by the Mini Mental State (MMS) examination. Associations were examined by analyses of variance (ANOVA) and covariance (ANCOVA), or ordinal logistic regressions with and without covariates. The sample consisted of 27 PM, 413 EM (including heterozygotes) and 10 URM. PM had lower oxymorphone and noroxymorphone serum concentrations and oxymorphone to oxycodone ratios than EM and URM. No differences between PM, EM and URM in pain intensity, nausea, tiredness or cognitive function was found. CYP2D6 genotypes caused expected differences in pharmacokinetics, but they had no pharmacodynamic consequence. CYP2D6 genotypes did not influence pain control, the adverse symptoms nausea and sedation or the risk for cognitive failure in this study of patients treated with oxycodone for cancer pain.

  10. 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.

  11. 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.

  12. Detection of anatomical changes in lung cancer patients with 2D time-integrated, 2D time-resolved and 3D time-integrated portal dosimetry: a simulation study

    NASA Astrophysics Data System (ADS)

    Wolfs, Cecile J. A.; Brás, Mariana G.; Schyns, Lotte E. J. R.; Nijsten, Sebastiaan M. J. J. G.; van Elmpt, Wouter; Scheib, Stefan G.; Baltes, Christof; Podesta, Mark; Verhaegen, Frank

    2017-08-01

    The aim of this work is to assess the performance of 2D time-integrated (2D-TI), 2D time-resolved (2D-TR) and 3D time-integrated (3D-TI) portal dosimetry in detecting dose discrepancies between the planned and (simulated) delivered dose caused by simulated changes in the anatomy of lung cancer patients. For six lung cancer patients, tumor shift, tumor regression and pleural effusion are simulated by modifying their CT images. Based on the modified CT images, time-integrated (TI) and time-resolved (TR) portal dose images (PDIs) are simulated and 3D-TI doses are calculated. The modified and original PDIs and 3D doses are compared by a gamma analysis with various gamma criteria. Furthermore, the difference in the D 95% (ΔD 95%) of the GTV is calculated and used as a gold standard. The correlation between the gamma fail rate and the ΔD 95% is investigated, as well the sensitivity and specificity of all combinations of portal dosimetry method, gamma criteria and gamma fail rate threshold. On the individual patient level, there is a correlation between the gamma fail rate and the ΔD 95%, which cannot be found at the group level. The sensitivity and specificity analysis showed that there is not one combination of portal dosimetry method, gamma criteria and gamma fail rate threshold that can detect all simulated anatomical changes. This work shows that it will be more beneficial to relate portal dosimetry and DVH analysis on the patient level, rather than trying to quantify a relationship for a group of patients. With regards to optimizing sensitivity and specificity, different combinations of portal dosimetry method, gamma criteria and gamma fail rate should be used to optimally detect certain types of anatomical changes.

  13. Detection of anatomical changes in lung cancer patients with 2D time-integrated, 2D time-resolved and 3D time-integrated portal dosimetry: a simulation study.

    PubMed

    Wolfs, Cecile J A; Brás, Mariana G; Schyns, Lotte E J R; Nijsten, Sebastiaan M J J G; van Elmpt, Wouter; Scheib, Stefan G; Baltes, Christof; Podesta, Mark; Verhaegen, Frank

    2017-07-12

    The aim of this work is to assess the performance of 2D time-integrated (2D-TI), 2D time-resolved (2D-TR) and 3D time-integrated (3D-TI) portal dosimetry in detecting dose discrepancies between the planned and (simulated) delivered dose caused by simulated changes in the anatomy of lung cancer patients. For six lung cancer patients, tumor shift, tumor regression and pleural effusion are simulated by modifying their CT images. Based on the modified CT images, time-integrated (TI) and time-resolved (TR) portal dose images (PDIs) are simulated and 3D-TI doses are calculated. The modified and original PDIs and 3D doses are compared by a gamma analysis with various gamma criteria. Furthermore, the difference in the D 95% (ΔD 95%) of the GTV is calculated and used as a gold standard. The correlation between the gamma fail rate and the ΔD 95% is investigated, as well the sensitivity and specificity of all combinations of portal dosimetry method, gamma criteria and gamma fail rate threshold. On the individual patient level, there is a correlation between the gamma fail rate and the ΔD 95%, which cannot be found at the group level. The sensitivity and specificity analysis showed that there is not one combination of portal dosimetry method, gamma criteria and gamma fail rate threshold that can detect all simulated anatomical changes. This work shows that it will be more beneficial to relate portal dosimetry and DVH analysis on the patient level, rather than trying to quantify a relationship for a group of patients. With regards to optimizing sensitivity and specificity, different combinations of portal dosimetry method, gamma criteria and gamma fail rate should be used to optimally detect certain types of anatomical changes.

  14. 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.

  15. 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.

  16. A numerical study of ENO and TVD schemes for shock capturing

    NASA Technical Reports Server (NTRS)

    Chang, Shih-Hung; Liou, Meng-Sing

    1988-01-01

    The numerical performance of a second-order upwind-based total variation diminishing (TVD) scheme and that of a uniform second-order essentially non-oscillatory (ENO) scheme for shock capturing are compared. The TVD scheme used is a modified version of Liou, using the flux-difference splitting (FDS) of Roe and his superbee function as the limiter. The construction of the basic ENO scheme is based on Harten, Engquist, Osher, and Chakravarthy, and the 2-D extensions are obtained by using a Strang-type of fractional-step time-splitting method. Numerical results presented include both steady and unsteady, 1-D and 2-D calculations. All the chosen test problems have exact solutions so that numerical performance can be measured by comparing the computer results to them. For 1-D calculations, the standard shock-tube problems of Sod and Lax are chosen. A very strong shock-tube problem, with the initial density ratio of 400 to 1 and pressure ratio of 500 to 1, is also used to study the behavior of the two schemes. For 2-D calculations, the shock wave reflection problems are adopted for testing. The cases presented in this report include flows with Mach numbers of 2.9, 5.0, and 10.0.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. A numerical, laboratory, and field study of riverbed filtration

    NASA Astrophysics Data System (ADS)

    Racine, C.; Lefebvre, R.; Martel, R.; Paniconi, C.

    2012-04-01

    Riverbed filtration is an appealing alternative to conventional riverbank and surface water intake systems, offering advantages of high flow rates, natural filtering, and undiminished performance under ice conditions. Its proper functioning requires careful study and monitoring of river flow dynamics, subsurface characteristics, and the interactions between these surface water and groundwater components. A research effort has been underway at INRS to develop principles and guidelines for the design, operation, and maintenance of riverbed filtration systems. A pilot system has just been completed in the Montmorency River near Quebec City (Canada). The installation consists of 4 horizontal wells (or drains), each of 20 m length and 30 cm diameter, placed 4 m apart, at a depth of 1.5 m within the riverbed sediments, and in a direction orthogonal to river flow. The housing trench for each drain is 2 m wide and 2.10 m deep and is composed of 90 cm of gravel topped with 70 cm of sifted alluvial sediments and a 50 cm protective layer of pebbles extracted from the sifted sediments. The average annual water level in the river is 1.2 m, while its mean head during low flow periods is 90 cm. The pilot installation is instrumented with multilevel pressure and temperature sensors and several flowmeters for continuous monitoring in both drainage and backwash modes. In gravity drainage (water intake) mode, the yield is expected to exceed the municipal demand criterion of 35 000 m3/d. Backwash operations, needed to unclog the trenches of fine sediments that can accumulate during water intake, are considered critical to maintaining the design performance targets for the system. Prior to construction of the pilot system, flow patterns, pressure responses, and turbidity behavior in both drainage and backwash modes were extensively studied in laboratory (sand column and sand box) and numerical (SEEP2D) experiments. These tests were fundamental to defining the design parameters and

  5. 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.

  6. A Simulation Study to Compare the Treatment Effect of Tamoxifen by CYP2D6 Genotypes and Third-Generation Aromatase Inhibitors.

    PubMed

    Park, Gwan Cheol; Jung, Jin-A; Bae, Kyun-Seop; Lim, Hyeong-Seok

    2017-09-01

    Some prospective, randomized clinical trials, including ATAC and BIG 1-98, demonstrated superior treatment effect of third-generation aromatase inhibitors (AIs) versus tamoxifen in postoperative therapy for patients with breast cancer. In retrospective genotyping analyses of the 2 studies using tumor samples, no difference in the treatment effect of tamoxifen was observed by CYP2D6 genotypes. However, those analyses did not consider loss of heterozygosity that could have occurred when genotyping using tumor tissue. The present simulation study aimed to comparatively evaluate the treatment effect of tamoxifen versus AIs of anastrozole and letrozole by CYP2D6 genotypes. A meta-analysis was conducted to estimate disease-free survival (DFS) hazard ratios of CYP2D6 genotypes representing extensive metabolizers (EMs), HRW/W,TAM , versus intermediate metabolizers (IMs)/poor metabolizers (PMs), HRV/W,TAM , using previous study results in which genotypes were determined using blood samples. Based on known allele frequencies, the CYP2D6 genotype distribution of participants in ATAC and BIG 1-98 trials were simulated. Subsequently, DFS HRs of AIs versus tamoxifen by CYP2D6 genotypes (HRAI/TAM,W for EMs, HRAI/TAM,V for IMs/PMs) were estimated via regression analyses using NONMEM, based on the simulated genotype distributions, HRV/W,TAM , and HRs, of AIs versus tamoxifen (HRAI/TAM ) reported in the ATAC and BIG 1-98 trials. Median HRAI/TAM,V (95% prediction interval [PI]) was 0.43 (0.23-0.79) and 0.40 (0.22-0.73) for the ATAC and BIG 1-98 trials, respectively. However, the corresponding HRAI/TAM,W values were 0.97 (0.84-1.11) and 0.91 (0.77-1.08), respectively. These results suggest that in patients with the CYP2D6 genotype representing EMs, the treatment effect of tamoxifen is comparable to that of AIs. © 2017, The American College of Clinical Pharmacology.

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

    PubMed

    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 3mm/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. Copyright © 2014 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.

  8. 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.

  9. 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

  10. Binding of Pramipexole to Extrastriatal Dopamine D2/D3 Receptors in the Human Brain: A Positron Emission Tomography Study Using 11C-FLB 457

    PubMed Central

    Ishibashi, Kenji; Ishii, Kenji; Oda, Keiichi; Mizusawa, Hidehiro; Ishiwata, Kiichi

    2011-01-01

    The purpose of this study was to determine the binding sites of pramipexole in extrastriatal dopaminergic regions because its antidepressive effects have been speculated to occur by activating the dopamine D2 receptor subfamily in extrastriatal areas. Dynamic positron emission tomography (PET) scanning using 11C-FLB 457 for quantification of D2/D3 receptor subtype was performed on 15 healthy volunteers. Each subject underwent two PET scans before and after receiving a single dose of pramipexole (0, 0.125, or 0.25 mg). The study demonstrated that pramipexole significantly binds to D2/D3 receptors in the prefrontal cortex, amygdala, and medial and lateral thalamus at a dose of 0.25 mg. These regions have been indicated to have some relation to depression and may be part of the target sites where pramipexole exerts its antidepressive effects. PMID:21408026

  11. Proteomic expression of microfungal ripening starter Geotrichum candidum submitted to cold stress is strain-dependent: studies using 2d-dige technology and samespots software analysis.

    PubMed

    Missous, Ghalia; Thammavongs, Bouachanh; Dieuleveux, Virginie; Houssin, Maryline; Henry, Joël; Panoff, Jean-Michel

    2012-01-01

    Geotrichum candidum is a micro-fungus widely used as a ripening starter in cheese making. In anthropogenic environments such as dairy industries, this microorganism is subjected to many environmental and technological stresses including low temperature exposure. Our aim was to study the proteomic response of G. candidum to cold stress using a comparative proteomic approach by two-dimensional Differential In Gel Electrophoresis (2D DIGE). This technique consists on the labeling of proteins by specific fluorescent dyes (CyDyes). The results, obtained with G. candidum cells subjected to cold temperature, show significant proteomic patterns differences compared with the standard conditions. Furthermore, this biochemical response seems strain specific. 2D DIGE technology combined with SameSpots™ software analysis support these results through an important statistical validity. The comparative studies in a single gel, using two different fluorescent CyDyes (Cy3 and Cy5), lead to proteins differentiation. Selected spots were treated and analyzed by mass spectrometry.

  12. 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.

  13. 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.

  14. 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.

  15. Line-source simulation for shallow-seismic data. Part 2: full-waveform inversion—a synthetic 2-D case study

    NASA Astrophysics Data System (ADS)

    Schäfer, M.; Groos, L.; Forbriger, T.; Bohlen, T.

    2014-09-01

    Full-waveform inversion (FWI) of shallow-seismic surface waves is able to reconstruct lateral variations of subsurface elastic properties. Line-source simulation for point-source data is required when applying algorithms of 2-D adjoint FWI to recorded shallow-seismic field data. The equivalent line-source response for point-source data can be obtained by convolving the waveforms with √{t^{-1}} (t: traveltime), which produces a phase shift of π/4. Subsequently an amplitude correction must be applied. In this work we recommend to scale the seismograms with √{2 r v_ph} at small receiver offsets r, where vph is the phase velocity, and gradually shift to applying a √{t^{-1}} time-domain taper and scaling the waveforms with r√{2} for larger receiver offsets r. We call this the hybrid transformation which is adapted for direct body and Rayleigh waves and demonstrate its outstanding performance on a 2-D heterogeneous structure. The fit of the phases as well as the amplitudes for all shot locations and components (vertical and radial) is excellent with respect to the reference line-source data. An approach for 1-D media based on Fourier-Bessel integral transformation generates strong artefacts for waves produced by 2-D structures. The theoretical background for both approaches is presented in a companion contribution. In the current contribution we study their performance when applied to waves propagating in a significantly 2-D-heterogeneous structure. We calculate synthetic seismograms for 2-D structure for line sources as well as point sources. Line-source simulations obtained from the point-source seismograms through different approaches are then compared to the corresponding line-source reference waveforms. Although being derived by approximation the hybrid transformation performs excellently except for explicitly back-scattered waves. In reconstruction tests we further invert point-source synthetic seismograms by a 2-D FWI to subsurface structure and evaluate

  16. 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

  17. 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

  18. A 2-D FEM thermal model to simulate water flow in a porous media: Campi Flegrei caldera case study

    NASA Astrophysics Data System (ADS)

    Romano, V.; Tammaro, U.; Capuano, P.

    2012-05-01

    Volcanic and geothermal aspects both exist in many geologically young areas. In these areas the heat transfer process is of fundamental importance, so that the thermal and fluid-dynamic processes characterizing a viscous fluid in a porous medium are very important to understand the complex dynamics of the these areas. The Campi Flegrei caldera, located west of the city of Naples, within the central-southern sector of the large graben of Campanian plain, is a region where both volcanic and geothermal phenomena are present. The upper part of the geothermal system can be considered roughly as a succession of volcanic porous material (tuff) saturated by a mixture formed mainly by water and carbon dioxide. We have implemented a finite elements approach in transient conditions to simulate water flow in a 2-D porous medium to model the changes of temperature in the geothermal system due to magmatic fluid inflow, accounting for a transient phase, not considered in the analytical solutions and fluid compressibility. The thermal model is described by means of conductive/convective equations, in which we propose a thermal source represented by a parabolic shape function to better simulate an increase of temperature in the central part (magma chamber) of a box, simulating the Campi Flegrei caldera and using more recent evaluations, from literature, for the medium's parameters (specific heat capacity, density, thermal conductivity, permeability). A best-fit velocity for the permeant is evaluated by comparing the simulated temperatures with those measured in wells drilled by Agip (Italian Oil Agency) in the 1980s in the framework of geothermal exploration. A few tens of days are enough to reach the thermal steady state, showing the quick response of the system to heat injection. The increase in the pressure due to the heat transport is then used to compute ground deformation, in particular the vertical displacements characteristics of the Campi Flegrei caldera behaviour. The

  19. Correlating 2D histological slice with 3D MRI image volume using smart phone as an interactive tool for muscle study.

    PubMed

    Eresen, Aydin; Li, Peng; Ji, Jim Xiuquan

    2014-01-01

    In muscle dystrophy studies, registration of histological image with MRI image volume enables cross validation of MRI biomarkers using pathological result. However, correlation of 2D histology slice with 3D MRI volume is technically challenging due to the potentially non-orthogonal slice plane and incomplete or distorted histological slice. This paper presents an efficient method to directly perform the 2D-3D registration. The method is unique in that it uses smart phone as a navigation tool for initial alignment followed by an overlap invariant mutual information-based refinement. Experimental results using animal muscle samples images from a 3T MRI and HE stained histological images show that the proposed method is capable of aligning the histological slice with an oblique slice in MR volume.

  20. Numerical study of signal propagation in corrugated coaxial cables

    SciTech Connect

    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.

  1. Numerical study of signal propagation in corrugated coaxial cables

    SciTech Connect

    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.

  2. 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.

  3. Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

    DOE PAGES

    Zou, Ling; Zhao, Haihua; Kim, Seung Jun

    2016-11-16

    In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

  4. Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

    SciTech Connect

    Zou, Ling; Zhao, Haihua; Kim, Seung Jun

    2016-11-16

    In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to the low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.

  5. 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.

  6. 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.

  7. 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.

  8. An investigation of the interaction between halofantrine, CYP2D6 and CYP3A4: studies with human liver microsomes and heterologous enzyme expression systems.

    PubMed Central

    Halliday, R C; Jones, B C; Smith, D A; Kitteringham, N R; Park, B K

    1995-01-01

    1. We have assessed the interaction of the antimalarial halofantrine with cytochrome P450 (CYP) enzymes in vitro, with the use of microsomes from human liver and recombinant cell lines. 2. Rac-halofantrine was a potent inhibitor (IC50 = 1.06 microM, Ki = 4.3 microM) of the 1-hydroxylation of bufuralol, a marker for CYP2D6 activity. Of a group of structurally related antimalarials tested, only quinidine (IC50 = 0.04 microM) was more potent. 3. Microsomes prepared from recombinant CYP2D6 and CYP3A4 cell lines were shown to catalyse halofantrine N-debutylation. 4. The metabolism of halofantrine to its N-desbutyl metabolite by human liver microsomes showed no correlation with CYP2D6 genotypic or phenotypic status and there was no consistent inhibition by quinidine. 5. The rate of halofantrine metabolism showed a significant correlation with both CYP3A4 protein levels (r = 0.88, P = 0.01) and the rate of felodipine metabolism (r = 0.86, P = 0.013), a marker substrate for CYP3A4 activity. Inhibition studies showed that ketoconazole is a potent inhibitor of halofantrine metabolism (IC50 = 1.57 microM). 6. In conclusion, we have demonstrated that halofantrine is a potent inhibitor of CYP2D6 in vitro and can also be metabolised by the enzyme. However, in human liver microsomes it appears to be metabolised largely by CYP3A4. PMID:8554939

  9. A Numerical Study on Microwave Coagulation Therapy

    DTIC Science & Technology

    2013-01-01

    treated by applying localized heat to cancerous tissues, often in combination with chemotherapy or radiotherapy. Microwave coagulation therapy is one...such clinical technique for treating hepatocellular carcinoma. In the treatment, a thin microwave antenna is inserted into the cancerous tissue and...the microwave energy heats up the tumor, killing the cancer cells by producing a coagulated region. Numerical models of microwave cancer therapy have

  10. 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.

  11. 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.

  12. Self-Navigation with Compressed Sensing for 2D Translational Motion Correction in Free-Breathing Coronary MRI: A Feasibility Study

    PubMed Central

    Bonanno, Gabriele; Puy, Gilles; Wiaux, Yves; van Heeswijk, Ruud B.; Piccini, Davide; Stuber, Matthias

    2014-01-01

    Purpose Respiratory motion correction remains a challenge in coronary magnetic resonance imaging (MRI) and current techniques, such as navigator gating, suffer from sub-optimal scan efficiency and ease-of-use. To overcome these limitations, an image-based self-navigation technique is proposed that uses “sub-images” and compressed sensing (CS) to obtain translational motion correction in 2D. The method was preliminarily implemented as a 2D technique and tested for feasibility for targeted coronary imaging. Methods During a 2D segmented radial k-space data acquisition, heavily undersampled sub-images were reconstructed from the readouts collected during each cardiac cycle. These sub-images may then be used for respiratory self-navigation. Alternatively, a CS reconstruction may be used to create these sub-images, so as to partially compensate for the heavy undersampling. Both approaches were quantitatively assessed using simulations and in vivo studies, and the resulting self-navigation strategies were then compared to conventional navigator gating. Results Sub-images reconstructed using CS showed a lower artifact level than sub-images reconstructed without CS. As a result, the final image quality was significantly better when using CS-assisted self-navigation as opposed to the non-CS approach. Moreover, while both self-navigation techniques led to a 69% scan time reduction (as compared to navigator gating), there was no significant difference in image quality between the CS-assisted self-navigation technique and conventional navigator gating, despite the significant decrease in scan time. Conclusions CS-assisted self-navigation using 2D translational motion correction demonstrated feasibility of producing coronary MRA data with image quality comparable to that obtained with conventional navigator gating, and does so without the use of additional acquisitions or motion modeling, while still allowing for 100% scan efficiency and an improved ease-of-use. In

  13. Self-navigation with compressed sensing for 2D translational motion correction in free-breathing coronary MRI: a feasibility study.

    PubMed

    Bonanno, Gabriele; Puy, Gilles; Wiaux, Yves; van Heeswijk, Ruud B; Piccini, Davide; Stuber, Matthias

    2014-01-01

    Respiratory motion correction remains a challenge in coronary magnetic resonance imaging (MRI) and current techniques, such as navigator gating, suffer from sub-optimal scan efficiency and ease-of-use. To overcome these limitations, an image-based self-navigation technique is proposed that uses "sub-images" and compressed sensing (CS) to obtain translational motion correction in 2D. The method was preliminarily implemented as a 2D technique and tested for feasibility for targeted coronary imaging. During a 2D segmented radial k-space data acquisition, heavily undersampled sub-images were reconstructed from the readouts collected during each cardiac cycle. These sub-images may then be used for respiratory self-navigation. Alternatively, a CS reconstruction may be used to create these sub-images, so as to partially compensate for the heavy undersampling. Both approaches were quantitatively assessed using simulations and in vivo studies, and the resulting self-navigation strategies were then compared to conventional navigator gating. Sub-images reconstructed using CS showed a lower artifact level than sub-images reconstructed without CS. As a result, the final image quality was significantly better when using CS-assisted self-navigation as opposed to the non-CS approach. Moreover, while both self-navigation techniques led to a 69% scan time reduction (as compared to navigator gating), there was no significant difference in image quality between the CS-assisted self-navigation technique and conventional navigator gating, despite the significant decrease in scan time. CS-assisted self-navigation using 2D translational motion correction demonstrated feasibility of producing coronary MRA data with image quality comparable to that obtained with conventional navigator gating, and does so without the use of additional acquisitions or motion modeling, while still allowing for 100% scan efficiency and an improved ease-of-use. In conclusion, compressed sensing may become a