An efficient unstructured WENO method for supersonic reactive flows

NASA Astrophysics Data System (ADS)

Zhao, Wen-Geng; Zheng, Hong-Wei; Liu, Feng-Jun; Shi, Xiao-Tian; Gao, Jun; Hu, Ning; Lv, Meng; Chen, Si-Cong; Zhao, Hong-Da

2018-03-01

An efficient high-order numerical method for supersonic reactive flows is proposed in this article. The reactive source term and convection term are solved separately by splitting scheme. In the reaction step, an adaptive time-step method is presented, which can improve the efficiency greatly. In the convection step, a third-order accurate weighted essentially non-oscillatory (WENO) method is adopted to reconstruct the solution in the unstructured grids. Numerical results show that our new method can capture the correct propagation speed of the detonation wave exactly even in coarse grids, while high order accuracy can be achieved in the smooth region. In addition, the proposed adaptive splitting method can reduce the computational cost greatly compared with the traditional splitting method.

Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics.

PubMed

Greene, Samuel M; Batista, Victor S

2017-09-12

We introduce the "tensor-train split-operator Fourier transform" (TT-SOFT) method for simulations of multidimensional nonadiabatic quantum dynamics. TT-SOFT is essentially the grid-based SOFT method implemented in dynamically adaptive tensor-train representations. In the same spirit of all matrix product states, the tensor-train format enables the representation, propagation, and computation of observables of multidimensional wave functions in terms of the grid-based wavepacket tensor components, bypassing the need of actually computing the wave function in its full-rank tensor product grid space. We demonstrate the accuracy and efficiency of the TT-SOFT method as applied to propagation of 24-dimensional wave packets, describing the S 1 /S 2 interconversion dynamics of pyrazine after UV photoexcitation to the S 2 state. Our results show that the TT-SOFT method is a powerful computational approach for simulations of quantum dynamics of polyatomic systems since it avoids the exponential scaling problem of full-rank grid-based representations.

Analysis of stability for stochastic delay integro-differential equations.

PubMed

Zhang, Yu; Li, Longsuo

2018-01-01

In this paper, we concern stability of numerical methods applied to stochastic delay integro-differential equations. For linear stochastic delay integro-differential equations, it is shown that the mean-square stability is derived by the split-step backward Euler method without any restriction on step-size, while the Euler-Maruyama method could reproduce the mean-square stability under a step-size constraint. We also confirm the mean-square stability of the split-step backward Euler method for nonlinear stochastic delay integro-differential equations. The numerical experiments further verify the theoretical results.

A split-step method to include electron–electron collisions via Monte Carlo in multiple rate equation simulations

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

Huthmacher, Klaus; Molberg, Andreas K.; Rethfeld, Bärbel

2016-10-01

A split-step numerical method for calculating ultrafast free-electron dynamics in dielectrics is introduced. The two split steps, independently programmed in C++11 and FORTRAN 2003, are interfaced via the presented open source wrapper. The first step solves a deterministic extended multi-rate equation for the ionization, electron–phonon collisions, and single photon absorption by free-carriers. The second step is stochastic and models electron–electron collisions using Monte-Carlo techniques. This combination of deterministic and stochastic approaches is a unique and efficient method of calculating the nonlinear dynamics of 3D materials exposed to high intensity ultrashort pulses. Results from simulations solving the proposed model demonstrate howmore » electron–electron scattering relaxes the non-equilibrium electron distribution on the femtosecond time scale.« less

Exact Fourier expansion in cylindrical coordinates for the three-dimensional Helmholtz Green function

NASA Astrophysics Data System (ADS)

Conway, John T.; Cohl, Howard S.

2010-06-01

A new method is presented for Fourier decomposition of the Helmholtz Green function in cylindrical coordinates, which is equivalent to obtaining the solution of the Helmholtz equation for a general ring source. The Fourier coefficients of the Green function are split into their half advanced + half retarded and half advanced-half retarded components, and closed form solutions for these components are then obtained in terms of a Horn function and a Kampé de Fériet function respectively. Series solutions for the Fourier coefficients are given in terms of associated Legendre functions, Bessel and Hankel functions and a hypergeometric function. These series are derived either from the closed form 2-dimensional hypergeometric solutions or from an integral representation, or from both. A simple closed form far-field solution for the general Fourier coefficient is derived from the Hankel series. Numerical calculations comparing different methods of calculating the Fourier coefficients are presented. Fourth order ordinary differential equations for the Fourier coefficients are also given and discussed briefly.

Spatially-Heterodyned Holography

DOEpatents

Thomas, Clarence E [Knoxville, TN; Hanson, Gregory R [Clinton, TN

2006-02-21

A method of recording a spatially low-frequency heterodyne hologram, including spatially heterodyne fringes for Fourier analysis, includes: splitting a laser beam into a reference beam and an object beam; interacting the object beam with an object; focusing the reference beam and the object beam at a focal plane of a digital recorder to form a spatially low-frequency heterodyne hologram including spatially heterodyne fringes for Fourier analysis; digital recording the spatially low-frequency heterodyne hologram; Fourier transforming axes of the recorded spatially low-frequency heterodyne hologram including spatially heterodyne fringes in Fourier space to sit on top of a heterodyne carrier frequency defined by an angle between the reference beam and the object beam; cutting off signals around an origin; and performing an inverse Fourier transform.

A chip-scale, telecommunications-band frequency conversion interface for quantum emitters.

PubMed

Agha, Imad; Ates, Serkan; Davanço, Marcelo; Srinivasan, Kartik

2013-09-09

We describe a chip-scale, telecommunications-band frequency conversion interface designed for low-noise operation at wavelengths desirable for common single photon emitters. Four-wave-mixing Bragg scattering in silicon nitride waveguides is used to demonstrate frequency upconversion and downconversion between the 980 nm and 1550 nm wavelength regions, with signal-to-background levels > 10 and conversion efficiency of ≈ -60 dB at low continuous wave input pump powers (< 50 mW). Finite element simulations and the split-step Fourier method indicate that increased input powers of ≈ 10 W (produced by amplified nanosecond pulses, for example) will result in a conversion efficiency > 25 % in existing geometries. Finally, we present waveguide designs that can be used to connect shorter wavelength (637 nm to 852 nm) quantum emitters with 1550 nm.

Stable diffraction-management soliton in a periodic structure with alternating left-handed and right-handed media

NASA Astrophysics Data System (ADS)

Zhang, Jinggui

2017-09-01

In this paper, we first derive a modified two-dimensional non-linear Schrödinger equation including high-order diffraction (HOD) suitable for the propagation of optical beam near the low-diffraction regime in Kerr non-linear media with spatial dispersion. Then, we apply our derived physical model to a designed two-dimensional configuration filled with alternate layers of a left-handed material (LHM) and a right-handed media by employing the mean-field theory. It is found that the periodic structure including LHM may experience diminished, cancelled, and even reversed diffraction behaviours through engineering the relative thickness between both media. In particular, the variational method analytically predicts that close to the zero-diffraction regime, such periodic structure can support stable diffraction-management solitons whose beamwidth and peak amplitude evolve periodically with the help of HOD effect. Numerical simulation based on the split-step Fourier method confirms the analytical results.

A Novel Approach with Time-Splitting Spectral Technique for the Coupled Schrödinger-Boussinesq Equations Involving Riesz Fractional Derivative

NASA Astrophysics Data System (ADS)

Saha Ray, S.

2017-09-01

In the present paper the Riesz fractional coupled Schrödinger-Boussinesq (S-B) equations have been solved by the time-splitting Fourier spectral (TSFS) method. This proposed technique is utilized for discretizing the Schrödinger like equation and further, a pseudospectral discretization has been employed for the Boussinesq-like equation. Apart from that an implicit finite difference approach has also been proposed to compare the results with the solutions obtained from the time-splitting technique. Furthermore, the time-splitting method is proved to be unconditionally stable. The error norms along with the graphical solutions have also been presented here. Supported by NBHM, Mumbai, under Department of Atomic Energy, Government of India vide Grant No. 2/48(7)/2015/NBHM (R.P.)/R&D II/11403

Adaptive step-size algorithm for Fourier beam-propagation method with absorbing boundary layer of auto-determined width.

PubMed

Learn, R; Feigenbaum, E

2016-06-01

Two algorithms that enhance the utility of the absorbing boundary layer are presented, mainly in the framework of the Fourier beam-propagation method. One is an automated boundary layer width selector that chooses a near-optimal boundary size based on the initial beam shape. The second algorithm adjusts the propagation step sizes based on the beam shape at the beginning of each step in order to reduce aliasing artifacts.

Adaptive step-size algorithm for Fourier beam-propagation method with absorbing boundary layer of auto-determined width

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

Learn, R.; Feigenbaum, E.

Two algorithms that enhance the utility of the absorbing boundary layer are presented, mainly in the framework of the Fourier beam-propagation method. One is an automated boundary layer width selector that chooses a near-optimal boundary size based on the initial beam shape. Furthermore, the second algorithm adjusts the propagation step sizes based on the beam shape at the beginning of each step in order to reduce aliasing artifacts.

Adaptive step-size algorithm for Fourier beam-propagation method with absorbing boundary layer of auto-determined width

DOE PAGES

Learn, R.; Feigenbaum, E.

2016-05-27

Two algorithms that enhance the utility of the absorbing boundary layer are presented, mainly in the framework of the Fourier beam-propagation method. One is an automated boundary layer width selector that chooses a near-optimal boundary size based on the initial beam shape. Furthermore, the second algorithm adjusts the propagation step sizes based on the beam shape at the beginning of each step in order to reduce aliasing artifacts.

Corruption of accuracy and efficiency of Markov chain Monte Carlo simulation by inaccurate numerical implementation of conceptual hydrologic models

NASA Astrophysics Data System (ADS)

Schoups, G.; Vrugt, J. A.; Fenicia, F.; van de Giesen, N. C.

2010-10-01

Conceptual rainfall-runoff models have traditionally been applied without paying much attention to numerical errors induced by temporal integration of water balance dynamics. Reliance on first-order, explicit, fixed-step integration methods leads to computationally cheap simulation models that are easy to implement. Computational speed is especially desirable for estimating parameter and predictive uncertainty using Markov chain Monte Carlo (MCMC) methods. Confirming earlier work of Kavetski et al. (2003), we show here that the computational speed of first-order, explicit, fixed-step integration methods comes at a cost: for a case study with a spatially lumped conceptual rainfall-runoff model, it introduces artificial bimodality in the marginal posterior parameter distributions, which is not present in numerically accurate implementations of the same model. The resulting effects on MCMC simulation include (1) inconsistent estimates of posterior parameter and predictive distributions, (2) poor performance and slow convergence of the MCMC algorithm, and (3) unreliable convergence diagnosis using the Gelman-Rubin statistic. We studied several alternative numerical implementations to remedy these problems, including various adaptive-step finite difference schemes and an operator splitting method. Our results show that adaptive-step, second-order methods, based on either explicit finite differencing or operator splitting with analytical integration, provide the best alternative for accurate and efficient MCMC simulation. Fixed-step or adaptive-step implicit methods may also be used for increased accuracy, but they cannot match the efficiency of adaptive-step explicit finite differencing or operator splitting. Of the latter two, explicit finite differencing is more generally applicable and is preferred if the individual hydrologic flux laws cannot be integrated analytically, as the splitting method then loses its advantage.

3D geometric split-merge segmentation of brain MRI datasets.

PubMed

Marras, Ioannis; Nikolaidis, Nikolaos; Pitas, Ioannis

2014-05-01

In this paper, a novel method for MRI volume segmentation based on region adaptive splitting and merging is proposed. The method, called Adaptive Geometric Split Merge (AGSM) segmentation, aims at finding complex geometrical shapes that consist of homogeneous geometrical 3D regions. In each volume splitting step, several splitting strategies are examined and the most appropriate is activated. A way to find the maximal homogeneity axis of the volume is also introduced. Along this axis, the volume splitting technique divides the entire volume in a number of large homogeneous 3D regions, while at the same time, it defines more clearly small homogeneous regions within the volume in such a way that they have greater probabilities of survival at the subsequent merging step. Region merging criteria are proposed to this end. The presented segmentation method has been applied to brain MRI medical datasets to provide segmentation results when each voxel is composed of one tissue type (hard segmentation). The volume splitting procedure does not require training data, while it demonstrates improved segmentation performance in noisy brain MRI datasets, when compared to the state of the art methods. Copyright © 2014 Elsevier Ltd. All rights reserved.

Removal of the Gibbs phenomenon and its application to fast-Fourier-transform-based mode solvers.

PubMed

Wangüemert-Pérez, J G; Godoy-Rubio, R; Ortega-Moñux, A; Molina-Fernández, I

2007-12-01

A simple strategy for accurately recovering discontinuous functions from their Fourier series coefficients is presented. The aim of the proposed approach, named spectrum splitting (SS), is to remove the Gibbs phenomenon by making use of signal-filtering-based concepts and some properties of the Fourier series. While the technique can be used in a vast range of situations, it is particularly suitable for being incorporated into fast-Fourier-transform-based electromagnetic mode solvers (FFT-MSs), which are known to suffer from very poor convergence rates when applied to situations where the field distributions are highly discontinuous (e.g., silicon-on-insulator photonic wires). The resultant method, SS-FFT-MS, is exhaustively tested under the assumption of a simplified one-dimensional model, clearly showing a dramatic improvement of the convergence rates with respect to the original FFT-based methods.

Dynamics and Hall-edge-state mixing of localized electrons in a two-channel Mach-Zehnder interferometer

NASA Astrophysics Data System (ADS)

Bellentani, Laura; Beggi, Andrea; Bordone, Paolo; Bertoni, Andrea

2018-05-01

We present a numerical study of a multichannel electronic Mach-Zehnder interferometer, based on magnetically driven noninteracting edge states. The electron path is defined by a full-scale potential landscape on the two-dimensional electron gas at filling factor 2, assuming initially only the first Landau level as filled. We tailor the two beamsplitters with 50 % interchannel mixing and measure Aharonov-Bohm oscillations in the transmission probability of the second channel. We perform time-dependent simulations by solving the electron Schrödinger equation through a parallel implementation of the split-step Fourier method, and we describe the charge-carrier wave function as a Gaussian wave packet of edge states. We finally develop a simplified theoretical model to explain the features observed in the transmission probability, and we propose possible strategies to optimize gate performances.

Three-dimensional multigrid algorithms for the flux-split Euler equations

NASA Technical Reports Server (NTRS)

Anderson, W. Kyle; Thomas, James L.; Whitfield, David L.

1988-01-01

The Full Approximation Scheme (FAS) multigrid method is applied to several implicit flux-split algorithms for solving the three-dimensional Euler equations in a body fitted coordinate system. Each of the splitting algorithms uses a variation of approximate factorization and is implemented in a finite volume formulation. The algorithms are all vectorizable with little or no scalar computation required. The flux vectors are split into upwind components using both the splittings of Steger-Warming and Van Leer. The stability and smoothing rate of each of the schemes are examined using a Fourier analysis of the complete system of equations. Results are presented for three-dimensional subsonic, transonic, and supersonic flows which demonstrate substantially improved convergence rates with the multigrid algorithm. The influence of using both a V-cycle and a W-cycle on the convergence is examined.

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

DOE PAGES

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; ...

2018-04-17

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Implicit-explicit (IMEX) Runge-Kutta methods for non-hydrostatic atmospheric models

NASA Astrophysics Data System (ADS)

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; Reynolds, Daniel R.; Ullrich, Paul A.; Woodward, Carol S.

2018-04-01

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit-explicit (IMEX) additive Runge-Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit - vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored. The accuracy and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

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

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Triadic split-merge sampler

NASA Astrophysics Data System (ADS)

van Rossum, Anne C.; Lin, Hai Xiang; Dubbeldam, Johan; van der Herik, H. Jaap

2018-04-01

In machine vision typical heuristic methods to extract parameterized objects out of raw data points are the Hough transform and RANSAC. Bayesian models carry the promise to optimally extract such parameterized objects given a correct definition of the model and the type of noise at hand. A category of solvers for Bayesian models are Markov chain Monte Carlo methods. Naive implementations of MCMC methods suffer from slow convergence in machine vision due to the complexity of the parameter space. Towards this blocked Gibbs and split-merge samplers have been developed that assign multiple data points to clusters at once. In this paper we introduce a new split-merge sampler, the triadic split-merge sampler, that perform steps between two and three randomly chosen clusters. This has two advantages. First, it reduces the asymmetry between the split and merge steps. Second, it is able to propose a new cluster that is composed out of data points from two different clusters. Both advantages speed up convergence which we demonstrate on a line extraction problem. We show that the triadic split-merge sampler outperforms the conventional split-merge sampler. Although this new MCMC sampler is demonstrated in this machine vision context, its application extend to the very general domain of statistical inference.

Motion-induced error reduction by combining Fourier transform profilometry with phase-shifting profilometry.

PubMed

Li, Beiwen; Liu, Ziping; Zhang, Song

2016-10-03

We propose a hybrid computational framework to reduce motion-induced measurement error by combining the Fourier transform profilometry (FTP) and phase-shifting profilometry (PSP). The proposed method is composed of three major steps: Step 1 is to extract continuous relative phase maps for each isolated object with single-shot FTP method and spatial phase unwrapping; Step 2 is to obtain an absolute phase map of the entire scene using PSP method, albeit motion-induced errors exist on the extracted absolute phase map; and Step 3 is to shift the continuous relative phase maps from Step 1 to generate final absolute phase maps for each isolated object by referring to the absolute phase map with error from Step 2. Experiments demonstrate the success of the proposed computational framework for measuring multiple isolated rapidly moving objects.

A numerical study of adaptive space and time discretisations for Gross–Pitaevskii equations

PubMed Central

Thalhammer, Mechthild; Abhau, Jochen

2012-01-01

As a basic principle, benefits of adaptive discretisations are an improved balance between required accuracy and efficiency as well as an enhancement of the reliability of numerical computations. In this work, the capacity of locally adaptive space and time discretisations for the numerical solution of low-dimensional nonlinear Schrödinger equations is investigated. The considered model equation is related to the time-dependent Gross–Pitaevskii equation arising in the description of Bose–Einstein condensates in dilute gases. The performance of the Fourier-pseudo spectral method constrained to uniform meshes versus the locally adaptive finite element method and of higher-order exponential operator splitting methods with variable time stepsizes is studied. Numerical experiments confirm that a local time stepsize control based on a posteriori local error estimators or embedded splitting pairs, respectively, is effective in different situations with an enhancement either in efficiency or reliability. As expected, adaptive time-splitting schemes combined with fast Fourier transform techniques are favourable regarding accuracy and efficiency when applied to Gross–Pitaevskii equations with a defocusing nonlinearity and a mildly varying regular solution. However, the numerical solution of nonlinear Schrödinger equations in the semi-classical regime becomes a demanding task. Due to the highly oscillatory and nonlinear nature of the problem, the spatial mesh size and the time increments need to be of the size of the decisive parameter 0<ε≪1, especially when it is desired to capture correctly the quantitative behaviour of the wave function itself. The required high resolution in space constricts the feasibility of numerical computations for both, the Fourier pseudo-spectral and the finite element method. Nevertheless, for smaller parameter values locally adaptive time discretisations facilitate to determine the time stepsizes sufficiently small in order that the numerical approximation captures correctly the behaviour of the analytical solution. Further illustrations for Gross–Pitaevskii equations with a focusing nonlinearity or a sharp Gaussian as initial condition, respectively, complement the numerical study. PMID:25550676

A numerical study of adaptive space and time discretisations for Gross-Pitaevskii equations.

PubMed

Thalhammer, Mechthild; Abhau, Jochen

2012-08-15

As a basic principle, benefits of adaptive discretisations are an improved balance between required accuracy and efficiency as well as an enhancement of the reliability of numerical computations. In this work, the capacity of locally adaptive space and time discretisations for the numerical solution of low-dimensional nonlinear Schrödinger equations is investigated. The considered model equation is related to the time-dependent Gross-Pitaevskii equation arising in the description of Bose-Einstein condensates in dilute gases. The performance of the Fourier-pseudo spectral method constrained to uniform meshes versus the locally adaptive finite element method and of higher-order exponential operator splitting methods with variable time stepsizes is studied. Numerical experiments confirm that a local time stepsize control based on a posteriori local error estimators or embedded splitting pairs, respectively, is effective in different situations with an enhancement either in efficiency or reliability. As expected, adaptive time-splitting schemes combined with fast Fourier transform techniques are favourable regarding accuracy and efficiency when applied to Gross-Pitaevskii equations with a defocusing nonlinearity and a mildly varying regular solution. However, the numerical solution of nonlinear Schrödinger equations in the semi-classical regime becomes a demanding task. Due to the highly oscillatory and nonlinear nature of the problem, the spatial mesh size and the time increments need to be of the size of the decisive parameter [Formula: see text], especially when it is desired to capture correctly the quantitative behaviour of the wave function itself. The required high resolution in space constricts the feasibility of numerical computations for both, the Fourier pseudo-spectral and the finite element method. Nevertheless, for smaller parameter values locally adaptive time discretisations facilitate to determine the time stepsizes sufficiently small in order that the numerical approximation captures correctly the behaviour of the analytical solution. Further illustrations for Gross-Pitaevskii equations with a focusing nonlinearity or a sharp Gaussian as initial condition, respectively, complement the numerical study.

Mitigation of intra-channel nonlinearities using a frequency-domain Volterra series equalizer.

PubMed

Guiomar, Fernando P; Reis, Jacklyn D; Teixeira, António L; Pinto, Armando N

2012-01-16

We address the issue of intra-channel nonlinear compensation using a Volterra series nonlinear equalizer based on an analytical closed-form solution for the 3rd order Volterra kernel in frequency-domain. The performance of the method is investigated through numerical simulations for a single-channel optical system using a 20 Gbaud NRZ-QPSK test signal propagated over 1600 km of both standard single-mode fiber and non-zero dispersion shifted fiber. We carry on performance and computational effort comparisons with the well-known backward propagation split-step Fourier (BP-SSF) method. The alias-free frequency-domain implementation of the Volterra series nonlinear equalizer makes it an attractive approach to work at low sampling rates, enabling to surpass the maximum performance of BP-SSF at 2× oversampling. Linear and nonlinear equalization can be treated independently, providing more flexibility to the equalization subsystem. The parallel structure of the algorithm is also a key advantage in terms of real-time implementation.

Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR.

PubMed

Nehrkorn, Joscha; Holldack, Karsten; Bittl, Robert; Schnegg, Alexander

2017-07-01

We describe frequency-domain Fourier-transform THz-EPR as a method to assign spin-coupling parameters of high-spin (S>1/2) systems with very large zero-field splittings. The instrumental foundations of synchrotron-based FD-FT THz-EPR are presented, alongside with a discussion of frequency-domain EPR simulation routines. The capabilities of this approach is demonstrated for selected mono- and multinuclear HS systems. Finally, we discuss remaining challenges and give an outlook on the future prospects of the technique. Copyright © 2017 Elsevier Inc. All rights reserved.

Highly efficient generation of broadband cascaded four-wave mixing products.

PubMed

Cerqueira S, Arismar; Boggio, J M Chavez; Rieznik, A A; Hernandez-Figueroa, H E; Fragnito, H L; Knight, J C

2008-02-18

We propose a novel way to efficiently generate broadband cascaded Four-Wave Mixing (FWM) products. It consists of launching two strong pump waves near the zero-dispersion wavelength of a very short (of order a few meters) optical fiber. Simulations based on Split Step Fourier Method (SSFM) and experimental data demonstrate the efficiency of our new approach. Multiple FWM products have been investigated by using conventional fibers and ultra-flattened dispersion photonic crystal fibers (UFD-PCFs). Measured results present bandwidths of 300 nm with up to 118 FWM products. We have also demonstrated a flat bandwidth of 110 nm covering the C and L bands, with a small variation of only 1.2 dB between the powers of FWM products, has been achieved using highly nonlinear fibers (HNLFs). The use of UFD-PCFs has been shown interesting for improving the multiple FWM efficiency and reducing the separation between the pump wavelengths.

On time discretizations for spectral methods. [numerical integration of Fourier and Chebyshev methods for dynamic partial differential equations

NASA Technical Reports Server (NTRS)

Gottlieb, D.; Turkel, E.

1980-01-01

New methods are introduced for the time integration of the Fourier and Chebyshev methods of solution for dynamic differential equations. These methods are unconditionally stable, even though no matrix inversions are required. Time steps are chosen by accuracy requirements alone. For the Fourier method both leapfrog and Runge-Kutta methods are considered. For the Chebyshev method only Runge-Kutta schemes are tested. Numerical calculations are presented to verify the analytic results. Applications to the shallow water equations are presented.

Real-Time Compressive Sensing MRI Reconstruction Using GPU Computing and Split Bregman Methods

PubMed Central

Smith, David S.; Gore, John C.; Yankeelov, Thomas E.; Welch, E. Brian

2012-01-01

Compressive sensing (CS) has been shown to enable dramatic acceleration of MRI acquisition in some applications. Being an iterative reconstruction technique, CS MRI reconstructions can be more time-consuming than traditional inverse Fourier reconstruction. We have accelerated our CS MRI reconstruction by factors of up to 27 by using a split Bregman solver combined with a graphics processing unit (GPU) computing platform. The increases in speed we find are similar to those we measure for matrix multiplication on this platform, suggesting that the split Bregman methods parallelize efficiently. We demonstrate that the combination of the rapid convergence of the split Bregman algorithm and the massively parallel strategy of GPU computing can enable real-time CS reconstruction of even acquisition data matrices of dimension 40962 or more, depending on available GPU VRAM. Reconstruction of two-dimensional data matrices of dimension 10242 and smaller took ~0.3 s or less, showing that this platform also provides very fast iterative reconstruction for small-to-moderate size images. PMID:22481908

Real-Time Compressive Sensing MRI Reconstruction Using GPU Computing and Split Bregman Methods.

PubMed

Smith, David S; Gore, John C; Yankeelov, Thomas E; Welch, E Brian

2012-01-01

Compressive sensing (CS) has been shown to enable dramatic acceleration of MRI acquisition in some applications. Being an iterative reconstruction technique, CS MRI reconstructions can be more time-consuming than traditional inverse Fourier reconstruction. We have accelerated our CS MRI reconstruction by factors of up to 27 by using a split Bregman solver combined with a graphics processing unit (GPU) computing platform. The increases in speed we find are similar to those we measure for matrix multiplication on this platform, suggesting that the split Bregman methods parallelize efficiently. We demonstrate that the combination of the rapid convergence of the split Bregman algorithm and the massively parallel strategy of GPU computing can enable real-time CS reconstruction of even acquisition data matrices of dimension 4096(2) or more, depending on available GPU VRAM. Reconstruction of two-dimensional data matrices of dimension 1024(2) and smaller took ~0.3 s or less, showing that this platform also provides very fast iterative reconstruction for small-to-moderate size images.

Application of kinetic flux vector splitting scheme for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

In this article, one and two-dimensional hydrodynamical models of semiconductor devices are numerically investigated. The models treat the propagation of electrons in a semiconductor device as the flow of a charged compressible fluid. It plays an important role in predicting the behavior of electron flow in semiconductor devices. Mathematically, the governing equations form a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the kinetic flux-vector splitting (KFVS) method for the hyperbolic step, and a semi-implicit Runge-Kutta method for the relaxation step. The KFVS method is based on the direct splitting of macroscopic flux functions of the system on the cell interfaces. The second order accuracy of the scheme is achieved by using MUSCL-type initial reconstruction and Runge-Kutta time stepping method. Several case studies are considered. For validation, the results of current scheme are compared with those obtained from the splitting scheme based on the NT central scheme. The effects of various parameters such as low field mobility, device length, lattice temperature and voltage are analyzed. The accuracy, efficiency and simplicity of the proposed KFVS scheme validates its generic applicability to the given model equations. A two dimensional simulation is also performed by KFVS method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

Fourier Deconvolution Methods for Resolution Enhancement in Continuous-Wave EPR Spectroscopy.

PubMed

Reed, George H; Poyner, Russell R

2015-01-01

An overview of resolution enhancement of conventional, field-swept, continuous-wave electron paramagnetic resonance spectra using Fourier transform-based deconvolution methods is presented. Basic steps that are involved in resolution enhancement of calculated spectra using an implementation based on complex discrete Fourier transform algorithms are illustrated. Advantages and limitations of the method are discussed. An application to an experimentally obtained spectrum is provided to illustrate the power of the method for resolving overlapped transitions. © 2015 Elsevier Inc. All rights reserved.

An implicit fast Fourier transform method for integration of the time dependent Schrodinger equation

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

Riley, M.E.; Ritchie, A.B.

1997-12-31

One finds that the conventional exponentiated split operator procedure is subject to difficulties when solving the time-dependent Schrodinger equation for Coulombic systems. By rearranging the kinetic and potential energy terms in the temporal propagator of the finite difference equations, one can find a propagation algorithm for three dimensions that looks much like the Crank-Nicholson and alternating direction implicit methods for one- and two-space-dimensional partial differential equations. The authors report investigations of this novel implicit split operator procedure. The results look promising for a purely numerical approach to certain electron quantum mechanical problems. A charge exchange calculation is presented as anmore » example of the power of the method.« less

A splitting scheme based on the space-time CE/SE method for solving multi-dimensional hydrodynamical models of semiconductor devices

NASA Astrophysics Data System (ADS)

Nisar, Ubaid Ahmed; Ashraf, Waqas; Qamar, Shamsul

2016-08-01

Numerical solutions of the hydrodynamical model of semiconductor devices are presented in one and two-space dimension. The model describes the charge transport in semiconductor devices. Mathematically, the models can be written as a convection-diffusion type system with a right hand side describing the relaxation effects and interaction with a self consistent electric field. The proposed numerical scheme is a splitting scheme based on the conservation element and solution element (CE/SE) method for hyperbolic step, and a semi-implicit scheme for the relaxation step. The numerical results of the suggested scheme are compared with the splitting scheme based on Nessyahu-Tadmor (NT) central scheme for convection step and the same semi-implicit scheme for the relaxation step. The effects of various parameters such as low field mobility, device length, lattice temperature and voltages for one-space dimensional hydrodynamic model are explored to further validate the generic applicability of the CE/SE method for the current model equations. A two dimensional simulation is also performed by CE/SE method for a MESFET device, producing results in good agreement with those obtained by NT-central scheme.

Incompressible spectral-element method: Derivation of equations

NASA Technical Reports Server (NTRS)

Deanna, Russell G.

1993-01-01

A fractional-step splitting scheme breaks the full Navier-Stokes equations into explicit and implicit portions amenable to the calculus of variations. Beginning with the functional forms of the Poisson and Helmholtz equations, we substitute finite expansion series for the dependent variables and derive the matrix equations for the unknown expansion coefficients. This method employs a new splitting scheme which differs from conventional three-step (nonlinear, pressure, viscous) schemes. The nonlinear step appears in the conventional, explicit manner, the difference occurs in the pressure step. Instead of solving for the pressure gradient using the nonlinear velocity, we add the viscous portion of the Navier-Stokes equation from the previous time step to the velocity before solving for the pressure gradient. By combining this 'predicted' pressure gradient with the nonlinear velocity in an explicit term, and the Crank-Nicholson method for the viscous terms, we develop a Helmholtz equation for the final velocity.

Analysis of operator splitting errors for near-limit flame simulations

NASA Astrophysics Data System (ADS)

Lu, Zhen; Zhou, Hua; Li, Shan; Ren, Zhuyin; Lu, Tianfeng; Law, Chung K.

2017-04-01

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction-diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction of ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.

Analysis of operator splitting errors for near-limit flame simulations

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

Lu, Zhen; Zhou, Hua; Li, Shan

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction–diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction ofmore » ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.« less

PETOOL: MATLAB-based one-way and two-way split-step parabolic equation tool for radiowave propagation over variable terrain

NASA Astrophysics Data System (ADS)

Ozgun, Ozlem; Apaydin, Gökhan; Kuzuoglu, Mustafa; Sevgi, Levent

2011-12-01

A MATLAB-based one-way and two-way split-step parabolic equation software tool (PETOOL) has been developed with a user-friendly graphical user interface (GUI) for the analysis and visualization of radio-wave propagation over variable terrain and through homogeneous and inhomogeneous atmosphere. The tool has a unique feature over existing one-way parabolic equation (PE)-based codes, because it utilizes the two-way split-step parabolic equation (SSPE) approach with wide-angle propagator, which is a recursive forward-backward algorithm to incorporate both forward and backward waves into the solution in the presence of variable terrain. First, the formulation of the classical one-way SSPE and the relatively-novel two-way SSPE is presented, with particular emphasis on their capabilities and the limitations. Next, the structure and the GUI capabilities of the PETOOL software tool are discussed in detail. The calibration of PETOOL is performed and demonstrated via analytical comparisons and/or representative canonical tests performed against the Geometric Optic (GO) + Uniform Theory of Diffraction (UTD). The tool can be used for research and/or educational purposes to investigate the effects of a variety of user-defined terrain and range-dependent refractivity profiles in electromagnetic wave propagation. Program summaryProgram title: PETOOL (Parabolic Equation Toolbox) Catalogue identifier: AEJS_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 143 349 No. of bytes in distributed program, including test data, etc.: 23 280 251 Distribution format: tar.gz Programming language: MATLAB (MathWorks Inc.) 2010a. Partial Differential Toolbox and Curve Fitting Toolbox required Computer: PC Operating system: Windows XP and Vista Classification: 10 Nature of problem: Simulation of radio-wave propagation over variable terrain on the Earth's surface, and through homogeneous and inhomogeneous atmosphere. Solution method: The program implements one-way and two-way Split-Step Parabolic Equation (SSPE) algorithm, with wide-angle propagator. The SSPE is, in general, an initial-value problem starting from a reference range (typically from an antenna), and marching out in range by obtaining the field along the vertical direction at each range step, through the use of step-by-step Fourier transformations. The two-way algorithm incorporates the backward-propagating waves into the standard one-way SSPE by utilizing an iterative forward-backward scheme for modeling multipath effects over a staircase-approximated terrain. Unusual features: This is the first software package implementing a recursive forward-backward SSPE algorithm to account for the multipath effects during radio-wave propagation, and enabling the user to easily analyze and visualize the results of the two-way propagation with GUI capabilities. Running time: Problem dependent. Typically, it is about 1.5 ms (for conducting ground) and 4 ms (for lossy ground) per range step for a vertical field profile of vector length 1500, on Intel Core 2 Duo 1.6 GHz with 2 GB RAM under Windows Vista.

Transient binding of CO to Cu(B) in cytochrome c oxidase is dynamically linked to structural changes around a carboxyl group: a time-resolved step-scan Fourier transform infrared investigation.

PubMed Central

Heitbrink, Dirk; Sigurdson, Håkan; Bolwien, Carsten; Brzezinski, Peter; Heberle, Joachim

2002-01-01

The redox-driven proton pump cytochrome c oxidase is that enzymatic machinery of the respiratory chain that transfers electrons from cytochrome c to molecular oxygen and thereby splits molecular oxygen to form water. To investigate the reaction mechanism of cytochrome c oxidase on the single vibrational level, we used time-resolved step-scan Fourier transform infrared spectroscopy and studied the dynamics of the reduced enzyme after photodissociation of bound carbon monoxide across the mid-infrared range (2300-950 cm(-1)). Difference spectra of the bovine complex were obtained at -20 degrees C with 5 micros time resolution. The data demonstrate a dynamic link between the transient binding of CO to Cu(B) and changes in hydrogen bonding at the functionally important residue E(I-286). Variation of the pH revealed that the pK(a) of E(I-286) is >9.3 in the fully reduced CO-bound oxidase. Difference spectra of cytochrome c oxidase from beef heart are compared with those of the oxidase isolated from Rhodobacter sphaeroides. The bacterial enzyme does not show the environmental change in the vicinity of E(I-286) upon CO dissociation. The characteristic band shape appears, however, in redox-induced difference spectra of the bacterial enzyme but is absent in redox-induced difference spectra of mammalian enzyme. In conclusion, it is demonstrated that the dynamics of a large protein complex such as cytochrome c oxidase can be resolved on the single vibrational level with microsecond Fourier transform infrared spectroscopy. The applied methodology provides the basis for future investigations of the physiological reaction steps of this important enzyme. PMID:11751290

Numerical simulation and comparison of nonlinear self-focusing based on iteration and ray tracing

NASA Astrophysics Data System (ADS)

Li, Xiaotong; Chen, Hao; Wang, Weiwei; Ruan, Wangchao; Zhang, Luwei; Cen, Zhaofeng

2017-05-01

Self-focusing is observed in nonlinear materials owing to the interaction between laser and matter when laser beam propagates. Some of numerical simulation strategies such as the beam propagation method (BPM) based on nonlinear Schrödinger equation and ray tracing method based on Fermat's principle have applied to simulate the self-focusing process. In this paper we present an iteration nonlinear ray tracing method in that the nonlinear material is also cut into massive slices just like the existing approaches, but instead of paraxial approximation and split-step Fourier transform, a large quantity of sampled real rays are traced step by step through the system with changing refractive index and laser intensity by iteration. In this process a smooth treatment is employed to generate a laser density distribution at each slice to decrease the error caused by the under-sampling. The characteristics of this method is that the nonlinear refractive indices of the points on current slice are calculated by iteration so as to solve the problem of unknown parameters in the material caused by the causal relationship between laser intensity and nonlinear refractive index. Compared with the beam propagation method, this algorithm is more suitable for engineering application with lower time complexity, and has the calculation capacity for numerical simulation of self-focusing process in the systems including both of linear and nonlinear optical media. If the sampled rays are traced with their complex amplitudes and light paths or phases, it will be possible to simulate the superposition effects of different beam. At the end of the paper, the advantages and disadvantages of this algorithm are discussed.

A first-order k-space model for elastic wave propagation in heterogeneous media.

PubMed

Firouzi, K; Cox, B T; Treeby, B E; Saffari, N

2012-09-01

A pseudospectral model of linear elastic wave propagation is described based on the first order stress-velocity equations of elastodynamics. k-space adjustments to the spectral gradient calculations are derived from the dyadic Green's function solution to the second-order elastic wave equation and used to (a) ensure the solution is exact for homogeneous wave propagation for timesteps of arbitrarily large size, and (b) also allows larger time steps without loss of accuracy in heterogeneous media. The formulation in k-space allows the wavefield to be split easily into compressional and shear parts. A perfectly matched layer (PML) absorbing boundary condition was developed to effectively impose a radiation condition on the wavefield. The staggered grid, which is essential for accurate simulations, is described, along with other practical details of the implementation. The model is verified through comparison with exact solutions for canonical examples and further examples are given to show the efficiency of the method for practical problems. The efficiency of the model is by virtue of the reduced point-per-wavelength requirement, the use of the fast Fourier transform (FFT) to calculate the gradients in k space, and larger time steps made possible by the k-space adjustments.

On the stability of projection methods for the incompressible Navier-Stokes equations based on high-order discontinuous Galerkin discretizations

NASA Astrophysics Data System (ADS)

Fehn, Niklas; Wall, Wolfgang A.; Kronbichler, Martin

2017-12-01

The present paper deals with the numerical solution of the incompressible Navier-Stokes equations using high-order discontinuous Galerkin (DG) methods for discretization in space. For DG methods applied to the dual splitting projection method, instabilities have recently been reported that occur for small time step sizes. Since the critical time step size depends on the viscosity and the spatial resolution, these instabilities limit the robustness of the Navier-Stokes solver in case of complex engineering applications characterized by coarse spatial resolutions and small viscosities. By means of numerical investigation we give evidence that these instabilities are related to the discontinuous Galerkin formulation of the velocity divergence term and the pressure gradient term that couple velocity and pressure. Integration by parts of these terms with a suitable definition of boundary conditions is required in order to obtain a stable and robust method. Since the intermediate velocity field does not fulfill the boundary conditions prescribed for the velocity, a consistent boundary condition is derived from the convective step of the dual splitting scheme to ensure high-order accuracy with respect to the temporal discretization. This new formulation is stable in the limit of small time steps for both equal-order and mixed-order polynomial approximations. Although the dual splitting scheme itself includes inf-sup stabilizing contributions, we demonstrate that spurious pressure oscillations appear for equal-order polynomials and small time steps highlighting the necessity to consider inf-sup stability explicitly.

2.5-D poroelastic wave modelling in double porosity media

NASA Astrophysics Data System (ADS)

Liu, Xu; Greenhalgh, Stewart; Wang, Yanghua

2011-09-01

To approximate seismic wave propagation in double porosity media, the 2.5-D governing equations of poroelastic waves are developed and numerically solved. The equations are obtained by taking a Fourier transform in the strike or medium-invariant direction over all of the field quantities in the 3-D governing equations. The new memory variables from the Zener model are suggested as a way to represent the sum of the convolution integrals for both the solid particle velocity and the macroscopic fluid flux in the governing equations. By application of the memory equations, the field quantities at every time step need not be stored. However, this approximation allows just two Zener relaxation times to represent the very complex double porosity and dual permeability attenuation mechanism, and thus reduce the difficulty. The 2.5-D governing equations are numerically solved by a time-splitting method for the non-stiff parts and an explicit fourth-order Runge-Kutta method for the time integration and a Fourier pseudospectral staggered-grid for handling the spatial derivative terms. The 2.5-D solution has the advantage of producing a 3-D wavefield (point source) for a 2-D model but is much more computationally efficient than the full 3-D solution. As an illustrative example, we firstly show the computed 2.5-D wavefields in a homogeneous single porosity model for which we reformulated an analytic solution. Results for a two-layer, water-saturated double porosity model and a laterally heterogeneous double porosity structure are also presented.

Effect of nonlinearity saturation on hot-image formation in cascaded saturable nonlinear medium slabs

NASA Astrophysics Data System (ADS)

Wang, Youwen; Dai, Zhiping; Ling, Xiaohui; Chen, Liezun; Lu, Shizhuan; You, Kaiming

2016-11-01

In high-power laser system such as Petawatt lasers, the laser beam can be intense enough to result in saturation of nonlinear refraction index of medium. Based on the standard linearization method of small-scale self-focusing and the split-step Fourier numerical calculation method, we present analytical and simulative investigations on the hot-image formation in cascaded saturable nonlinear medium slabs, to disclose the effect of nonlinearity saturation on the distribution and intensity of hot images. The analytical and simulative results are found in good agreement. It is shown that, saturable nonlinearity does not change the distribution of hot images, while may greatly affect the intensity of hot images, i.e., for a given saturation light intensity, with the intensity of the incident laser beam, the intensity of hot images firstly increases monotonously and eventually reaches a saturation; for the incident laser beam of a given intensity, with the saturation light intensity lowering, the intensity of hot images decreases rapidly, even resulting in a few hot images too weak to be visible.

Accurate upwind methods for the Euler equations

NASA Technical Reports Server (NTRS)

Huynh, Hung T.

1993-01-01

A new class of piecewise linear methods for the numerical solution of the one-dimensional Euler equations of gas dynamics is presented. These methods are uniformly second-order accurate, and can be considered as extensions of Godunov's scheme. With an appropriate definition of monotonicity preservation for the case of linear convection, it can be shown that they preserve monotonicity. Similar to Van Leer's MUSCL scheme, they consist of two key steps: a reconstruction step followed by an upwind step. For the reconstruction step, a monotonicity constraint that preserves uniform second-order accuracy is introduced. Computational efficiency is enhanced by devising a criterion that detects the 'smooth' part of the data where the constraint is redundant. The concept and coding of the constraint are simplified by the use of the median function. A slope steepening technique, which has no effect at smooth regions and can resolve a contact discontinuity in four cells, is described. As for the upwind step, existing and new methods are applied in a manner slightly different from those in the literature. These methods are derived by approximating the Euler equations via linearization and diagonalization. At a 'smooth' interface, Harten, Lax, and Van Leer's one intermediate state model is employed. A modification for this model that can resolve contact discontinuities is presented. Near a discontinuity, either this modified model or a more accurate one, namely, Roe's flux-difference splitting. is used. The current presentation of Roe's method, via the conceptually simple flux-vector splitting, not only establishes a connection between the two splittings, but also leads to an admissibility correction with no conditional statement, and an efficient approximation to Osher's approximate Riemann solver. These reconstruction and upwind steps result in schemes that are uniformly second-order accurate and economical at smooth regions, and yield high resolution at discontinuities.

Using histograms to introduce randomization in the generation of ensembles of decision trees

DOEpatents

Kamath, Chandrika; Cantu-Paz, Erick; Littau, David

2005-02-22

A system for decision tree ensembles that includes a module to read the data, a module to create a histogram, a module to evaluate a potential split according to some criterion using the histogram, a module to select a split point randomly in an interval around the best split, a module to split the data, and a module to combine multiple decision trees in ensembles. The decision tree method includes the steps of reading the data; creating a histogram; evaluating a potential split according to some criterion using the histogram, selecting a split point randomly in an interval around the best split, splitting the data, and combining multiple decision trees in ensembles.

Controlling the motion of solitons in 1-D magnonic crystal

NASA Astrophysics Data System (ADS)

Giridharan, D.; Sabareesan, P.; Daniel, M.

2018-04-01

We investigate nonlinear localized magnetic excitations in a simple form of one dimensional magnonic crystal by considering a ferromagnetic medium under periodic applied magnetic field of spatially varying strength. The governing Landau-Lifshitz equation is transformed into nonlinear evolution equation of a complex function through stereographic projection technique. The associated evolution equation numerically solved by using split-step Fourier method (SSFM). From the obtained results it is observed that the excitations appear in the form of solitons and the periodic magnetic field of spatially varying strength perturbs the soliton propagation. Bright and dark soliton solutions are constructed and studied the effect of tuning the strength of spatially periodic applied magnetic field on the nonlinear excitation of magnetization. The results show that the amplitude and velocity of the soliton can be effectively managed by varying the strength of spatially periodic applied magnetic field and it act as periodic potential which provides an additional degree of freedom to control the nature of soliton propagation in a ferromagnetic medium.

Improving soft FEC performance for higher-order modulations via optimized bit channel mappings.

PubMed

Häger, Christian; Amat, Alexandre Graell I; Brännström, Fredrik; Alvarado, Alex; Agrell, Erik

2014-06-16

Soft forward error correction with higher-order modulations is often implemented in practice via the pragmatic bit-interleaved coded modulation paradigm, where a single binary code is mapped to a nonbinary modulation. In this paper, we study the optimization of the mapping of the coded bits to the modulation bits for a polarization-multiplexed fiber-optical system without optical inline dispersion compensation. Our focus is on protograph-based low-density parity-check (LDPC) codes which allow for an efficient hardware implementation, suitable for high-speed optical communications. The optimization is applied to the AR4JA protograph family, and further extended to protograph-based spatially coupled LDPC codes assuming a windowed decoder. Full field simulations via the split-step Fourier method are used to verify the analysis. The results show performance gains of up to 0.25 dB, which translate into a possible extension of the transmission reach by roughly up to 8%, without significantly increasing the system complexity.

Effect of pulse width on near-infrared supercontinuum generation in nonlinear fiber amplifier

NASA Astrophysics Data System (ADS)

Song, Rui; Lei, Cheng-Min; Chen, Sheng-Ping; Wang, Ze-Feng; Hou, Jing

2015-08-01

The effect of pulse width on near-infrared supercontinuum generation in nonlinear fiber amplifier is investigated theoretically and experimentally. The complex Ginzburg-Landau equation and adaptive split-step Fourier method are used to simulate the propagation of pulses with different pulse widths in the fiber amplifier, and the results show that a longer pulse is more profitable in near-infrared supercontinuum generation if the central wavelength of the input laser lies in the normal dispersion region of the gain fiber. A four-stage master oscillator power amplifier configuration is adopted and the output spectra under picosecond and nanosecond input pulses are compared with each other. The experimental results are in good accordance with the simulations which can provide some guidance for further optimization of the system. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404404 and 11274385) and the Outstanding Youth Fund Project of Hunan Province and the Fund of Innovation of National University of Defense Technology, China (Grant No. B120701).

Seismic wavefield modeling based on time-domain symplectic and Fourier finite-difference method

NASA Astrophysics Data System (ADS)

Fang, Gang; Ba, Jing; Liu, Xin-xin; Zhu, Kun; Liu, Guo-Chang

2017-06-01

Seismic wavefield modeling is important for improving seismic data processing and interpretation. Calculations of wavefield propagation are sometimes not stable when forward modeling of seismic wave uses large time steps for long times. Based on the Hamiltonian expression of the acoustic wave equation, we propose a structure-preserving method for seismic wavefield modeling by applying the symplectic finite-difference method on time grids and the Fourier finite-difference method on space grids to solve the acoustic wave equation. The proposed method is called the symplectic Fourier finite-difference (symplectic FFD) method, and offers high computational accuracy and improves the computational stability. Using acoustic approximation, we extend the method to anisotropic media. We discuss the calculations in the symplectic FFD method for seismic wavefield modeling of isotropic and anisotropic media, and use the BP salt model and BP TTI model to test the proposed method. The numerical examples suggest that the proposed method can be used in seismic modeling of strongly variable velocities, offering high computational accuracy and low numerical dispersion. The symplectic FFD method overcomes the residual qSV wave of seismic modeling in anisotropic media and maintains the stability of the wavefield propagation for large time steps.

Fractional Step Like Schemes for Free Surface Problems with Thermal Coupling Using the Lagrangian PFEM

NASA Astrophysics Data System (ADS)

Aubry, R.; Oñate, E.; Idelsohn, S. R.

2006-09-01

The method presented in Aubry et al. (Comput Struc 83:1459-1475, 2005) for the solution of an incompressible viscous fluid flow with heat transfer using a fully Lagrangian description of motion is extended to three dimensions (3D) with particular emphasis on mass conservation. A modified fractional step (FS) based on the pressure Schur complement (Turek 1999), and related to the class of algebraic splittings Quarteroni et al. (Comput Methods Appl Mech Eng 188:505-526, 2000), is used and a new advantage of the splittings of the equations compared with the classical FS is highlighted for free surface problems. The temperature is semi-coupled with the displacement, which is the main variable in a Lagrangian description. Comparisons for various mesh Reynolds numbers are performed with the classical FS, an algebraic splitting and a monolithic solution, in order to illustrate the behaviour of the Uzawa operator and the mass conservation. As the classical fractional step is equivalent to one iteration of the Uzawa algorithm performed with a standard Laplacian as a preconditioner, it will behave well only in a Reynold mesh number domain where the preconditioner is efficient. Numerical results are provided to assess the superiority of the modified algebraic splitting to the classical FS.

Entropy Splitting for High Order Numerical Simulation of Vortex Sound at Low Mach Numbers

NASA Technical Reports Server (NTRS)

Mueller, B.; Yee, H. C.; Mansour, Nagi (Technical Monitor)

2001-01-01

A method of minimizing numerical errors, and improving nonlinear stability and accuracy associated with low Mach number computational aeroacoustics (CAA) is proposed. The method consists of two levels. From the governing equation level, we condition the Euler equations in two steps. The first step is to split the inviscid flux derivatives into a conservative and a non-conservative portion that satisfies a so called generalized energy estimate. This involves the symmetrization of the Euler equations via a transformation of variables that are functions of the physical entropy. Owing to the large disparity of acoustic and stagnation quantities in low Mach number aeroacoustics, the second step is to reformulate the split Euler equations in perturbation form with the new unknowns as the small changes of the conservative variables with respect to their large stagnation values. From the numerical scheme level, a stable sixth-order central interior scheme with a third-order boundary schemes that satisfies the discrete analogue of the integration-by-parts procedure used in the continuous energy estimate (summation-by-parts property) is employed.

A high order semi-Lagrangian discontinuous Galerkin method for Vlasov-Poisson simulations without operator splitting

NASA Astrophysics Data System (ADS)

Cai, Xiaofeng; Guo, Wei; Qiu, Jing-Mei

2018-02-01

In this paper, we develop a high order semi-Lagrangian (SL) discontinuous Galerkin (DG) method for nonlinear Vlasov-Poisson (VP) simulations without operator splitting. In particular, we combine two recently developed novel techniques: one is the high order non-splitting SLDG transport method (Cai et al. (2017) [4]), and the other is the high order characteristics tracing technique proposed in Qiu and Russo (2017) [29]. The proposed method with up to third order accuracy in both space and time is locally mass conservative, free of splitting error, positivity-preserving, stable and robust for large time stepping size. The SLDG VP solver is applied to classic benchmark test problems such as Landau damping and two-stream instabilities for VP simulations. Efficiency and effectiveness of the proposed scheme is extensively tested. Tremendous CPU savings are shown by comparisons between the proposed SL DG scheme and the classical Runge-Kutta DG method.

Terrain and refractivity effects on non-optical paths

NASA Astrophysics Data System (ADS)

Barrios, Amalia E.

1994-07-01

The split-step parabolic equation (SSPE) has been used extensively to model tropospheric propagation over the sea, but recent efforts have extended this method to propagation over arbitrary terrain. At the Naval Command, Control and Ocean Surveillance Center (NCCOSC), Research, Development, Test and Evaluation Division, a split-step Terrain Parabolic Equation Model (TPEM) has been developed that takes into account variable terrain and range-dependent refractivity profiles. While TPEM has been previously shown to compare favorably with measured data and other existing terrain models, two alternative methods to model radiowave propagation over terrain, implemented within TPEM, will be presented that give a two to ten-fold decrease in execution time. These two methods are also shown to agree well with measured data.

Analysis on optical heterodyne frequency error of full-field heterodyne interferometer

NASA Astrophysics Data System (ADS)

Li, Yang; Zhang, Wenxi; Wu, Zhou; Lv, Xiaoyu; Kong, Xinxin; Guo, Xiaoli

2017-06-01

The full-field heterodyne interferometric measurement technology is beginning better applied by employing low frequency heterodyne acousto-optical modulators instead of complex electro-mechanical scanning devices. The optical element surface could be directly acquired by synchronously detecting the received signal phases of each pixel, because standard matrix detector as CCD and CMOS cameras could be used in heterodyne interferometer. Instead of the traditional four-step phase shifting phase calculating, Fourier spectral analysis method is used for phase extracting which brings lower sensitivity to sources of uncertainty and higher measurement accuracy. In this paper, two types of full-field heterodyne interferometer are described whose advantages and disadvantages are also specified. Heterodyne interferometer has to combine two different frequency beams to produce interference, which brings a variety of optical heterodyne frequency errors. Frequency mixing error and beat frequency error are two different kinds of inescapable heterodyne frequency errors. In this paper, the effects of frequency mixing error to surface measurement are derived. The relationship between the phase extraction accuracy and the errors are calculated. :: The tolerance of the extinction ratio of polarization splitting prism and the signal-to-noise ratio of stray light is given. The error of phase extraction by Fourier analysis that caused by beat frequency shifting is derived and calculated. We also propose an improved phase extraction method based on spectrum correction. An amplitude ratio spectrum correction algorithm with using Hanning window is used to correct the heterodyne signal phase extraction. The simulation results show that this method can effectively suppress the degradation of phase extracting caused by beat frequency error and reduce the measurement uncertainty of full-field heterodyne interferometer.

Split Space-Marching Finite-Volume Method for Chemically Reacting Supersonic Flow

NASA Technical Reports Server (NTRS)

Rizzi, Arthur W.; Bailey, Harry E.

1976-01-01

A space-marching finite-volume method employing a nonorthogonal coordinate system and using a split differencing scheme for calculating steady supersonic flow over aerodynamic shapes is presented. It is a second-order-accurate mixed explicit-implicit procedure that solves the inviscid adiabatic and nondiffusive equations for chemically reacting flow in integral conservation-law form. The relationship between the finite-volume and differential forms of the equations is examined and the relative merits of each discussed. The method admits initial Cauchy data situated on any arbitrary surface and integrates them forward along a general curvilinear coordinate, distorting and deforming the surface as it advances. The chemical kinetics term is split from the convective terms which are themselves dimensionally split, thereby freeing the fluid operators from the restricted step size imposed by the chemical reactions and increasing the computational efficiency. The accuracy of this splitting technique is analyzed, a sufficient stability criterion is established, a representative flow computation is discussed, and some comparisons are made with another method.

Meshless Method with Operator Splitting Technique for Transient Nonlinear Bioheat Transfer in Two-Dimensional Skin Tissues

PubMed Central

Zhang, Ze-Wei; Wang, Hui; Qin, Qing-Hua

2015-01-01

A meshless numerical scheme combining the operator splitting method (OSM), the radial basis function (RBF) interpolation, and the method of fundamental solutions (MFS) is developed for solving transient nonlinear bioheat problems in two-dimensional (2D) skin tissues. In the numerical scheme, the nonlinearity caused by linear and exponential relationships of temperature-dependent blood perfusion rate (TDBPR) is taken into consideration. In the analysis, the OSM is used first to separate the Laplacian operator and the nonlinear source term, and then the second-order time-stepping schemes are employed for approximating two splitting operators to convert the original governing equation into a linear nonhomogeneous Helmholtz-type governing equation (NHGE) at each time step. Subsequently, the RBF interpolation and the MFS involving the fundamental solution of the Laplace equation are respectively employed to obtain approximated particular and homogeneous solutions of the nonhomogeneous Helmholtz-type governing equation. Finally, the full fields consisting of the particular and homogeneous solutions are enforced to fit the NHGE at interpolation points and the boundary conditions at boundary collocations for determining unknowns at each time step. The proposed method is verified by comparison of other methods. Furthermore, the sensitivity of the coefficients in the cases of a linear and an exponential relationship of TDBPR is investigated to reveal their bioheat effect on the skin tissue. PMID:25603180

Meshless method with operator splitting technique for transient nonlinear bioheat transfer in two-dimensional skin tissues.

PubMed

Zhang, Ze-Wei; Wang, Hui; Qin, Qing-Hua

2015-01-16

A meshless numerical scheme combining the operator splitting method (OSM), the radial basis function (RBF) interpolation, and the method of fundamental solutions (MFS) is developed for solving transient nonlinear bioheat problems in two-dimensional (2D) skin tissues. In the numerical scheme, the nonlinearity caused by linear and exponential relationships of temperature-dependent blood perfusion rate (TDBPR) is taken into consideration. In the analysis, the OSM is used first to separate the Laplacian operator and the nonlinear source term, and then the second-order time-stepping schemes are employed for approximating two splitting operators to convert the original governing equation into a linear nonhomogeneous Helmholtz-type governing equation (NHGE) at each time step. Subsequently, the RBF interpolation and the MFS involving the fundamental solution of the Laplace equation are respectively employed to obtain approximated particular and homogeneous solutions of the nonhomogeneous Helmholtz-type governing equation. Finally, the full fields consisting of the particular and homogeneous solutions are enforced to fit the NHGE at interpolation points and the boundary conditions at boundary collocations for determining unknowns at each time step. The proposed method is verified by comparison of other methods. Furthermore, the sensitivity of the coefficients in the cases of a linear and an exponential relationship of TDBPR is investigated to reveal their bioheat effect on the skin tissue.

An L1-norm phase constraint for half-Fourier compressed sensing in 3D MR imaging.

PubMed

Li, Guobin; Hennig, Jürgen; Raithel, Esther; Büchert, Martin; Paul, Dominik; Korvink, Jan G; Zaitsev, Maxim

2015-10-01

In most half-Fourier imaging methods, explicit phase replacement is used. In combination with parallel imaging, or compressed sensing, half-Fourier reconstruction is usually performed in a separate step. The purpose of this paper is to report that integration of half-Fourier reconstruction into iterative reconstruction minimizes reconstruction errors. The L1-norm phase constraint for half-Fourier imaging proposed in this work is compared with the L2-norm variant of the same algorithm, with several typical half-Fourier reconstruction methods. Half-Fourier imaging with the proposed phase constraint can be seamlessly combined with parallel imaging and compressed sensing to achieve high acceleration factors. In simulations and in in-vivo experiments half-Fourier imaging with the proposed L1-norm phase constraint enables superior performance both reconstruction of image details and with regard to robustness against phase estimation errors. The performance and feasibility of half-Fourier imaging with the proposed L1-norm phase constraint is reported. Its seamless combination with parallel imaging and compressed sensing enables use of greater acceleration in 3D MR imaging.

Novel Fourier-domain constraint for fast phase retrieval in coherent diffraction imaging.

PubMed

Latychevskaia, Tatiana; Longchamp, Jean-Nicolas; Fink, Hans-Werner

2011-09-26

Coherent diffraction imaging (CDI) for visualizing objects at atomic resolution has been realized as a promising tool for imaging single molecules. Drawbacks of CDI are associated with the difficulty of the numerical phase retrieval from experimental diffraction patterns; a fact which stimulated search for better numerical methods and alternative experimental techniques. Common phase retrieval methods are based on iterative procedures which propagate the complex-valued wave between object and detector plane. Constraints in both, the object and the detector plane are applied. While the constraint in the detector plane employed in most phase retrieval methods requires the amplitude of the complex wave to be equal to the squared root of the measured intensity, we propose a novel Fourier-domain constraint, based on an analogy to holography. Our method allows achieving a low-resolution reconstruction already in the first step followed by a high-resolution reconstruction after further steps. In comparison to conventional schemes this Fourier-domain constraint results in a fast and reliable convergence of the iterative reconstruction process. © 2011 Optical Society of America

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.

PubMed

Hardy, David J; Wolff, Matthew A; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D

2016-03-21

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Hardy, David J.; Wolff, Matthew A.; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D.

2016-03-01

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

Creating ensembles of decision trees through sampling

DOEpatents

Kamath, Chandrika; Cantu-Paz, Erick

2005-08-30

A system for decision tree ensembles that includes a module to read the data, a module to sort the data, a module to evaluate a potential split of the data according to some criterion using a random sample of the data, a module to split the data, and a module to combine multiple decision trees in ensembles. The decision tree method is based on statistical sampling techniques and includes the steps of reading the data; sorting the data; evaluating a potential split according to some criterion using a random sample of the data, splitting the data, and combining multiple decision trees in ensembles.

Development of a time-dependent incompressible Navier-Stokes solver based on a fractional-step method

NASA Technical Reports Server (NTRS)

Rosenfeld, Moshe

1990-01-01

The main goals are the development, validation, and application of a fractional step solution method of the time-dependent incompressible Navier-Stokes equations in generalized coordinate systems. A solution method that combines a finite volume discretization with a novel choice of the dependent variables and a fractional step splitting to obtain accurate solutions in arbitrary geometries is extended to include more general situations, including cases with moving grids. The numerical techniques are enhanced to gain efficiency and generality.

Periodic trim solutions with hp-version finite elements in time

NASA Technical Reports Server (NTRS)

Peters, David A.; Hou, Lin-Jun

1990-01-01

Finite elements in time as an alternative strategy for rotorcraft trim problems are studied. The research treats linear flap and linearized flap-lag response both for quasi-trim and trim cases. The connection between Fourier series analysis and hp-finite elements for periodic a problem is also examined. It is proved that Fourier series is a special case of space-time finite elements in which one element is used with a strong displacement formulation. Comparisons are made with respect to accuracy among Fourier analysis, displacement methods, and mixed methods over a variety parameters. The hp trade-off is studied for the periodic trim problem to provide an optimum step size and order of polynomial for a given error criteria. It is found that finite elements in time can outperform Fourier analysis for periodic problems, and for some given error criteria. The mixed method provides better results than does the displacement method.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

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

Hardy, David J., E-mail: dhardy@illinois.edu; Schulten, Klaus; Wolff, Matthew A.

2016-03-21

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation methodmore » (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle–mesh Ewald method falls short.« less

Optical splitter design for telecommunication access networks with triple-play services

NASA Astrophysics Data System (ADS)

Agalliu, Rajdi; Burtscher, Catalina; Lucki, Michal; Seyringer, Dana

2018-01-01

In this paper, we present various designs of optical splitters for access networks, such as GPON and XG-PON by ITU-T with triple-play services (ie data, voice and video). The presented designs exhibit a step forward, compared to the solutions recommended by the ITU, in terms of performance in transmission systems using WDM. The quality of performance is represented by the bit error rate and the Q-factor. Besides the standard splitter design, we propose a new length-optimized splitter design with a smaller waveguide core, providing some reduction of non-uniformity of the power split between the output waveguides. The achieved splitting parameters are incorporated in the simulations of passive optical networks. For this purpose, the OptSim tool employing Time Domain Split Step method was used.

Method for carbon dioxide splitting

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

Miller, James E.; Diver, Jr., Richard B.; Siegel, Nathan P.

A method for splitting carbon dioxide via a two-step metal oxide thermochemical cycle by heating a metal oxide compound selected from an iron oxide material of the general formula A.sub.xFe.sub.3-xO.sub.4, where 0.ltoreq.x.ltoreq.1 and A is a metal selected from Mg, Cu, Zn, Ni, Co, and Mn, or a ceria oxide compound of the general formula M.sub.aCe.sub.bO.sub.c, where 0

A Step-by-Step Picture of Pulsed (Time-Domain) NMR.

ERIC Educational Resources Information Center

Schwartz, Leslie J.

1988-01-01

Discusses a method for teaching time pulsed NMR principals that are as simple and pictorial as possible. Uses xyz coordinate figures and presents theoretical explanations using a Fourier transformation spectrum. Assumes no previous knowledge of quantum mechanics for students. Usable for undergraduates. (MVL)

The estimation of lower refractivity uncertainty from radar sea clutter using the Bayesian—MCMC method

NASA Astrophysics Data System (ADS)

Sheng, Zheng

2013-02-01

The estimation of lower atmospheric refractivity from radar sea clutter (RFC) is a complicated nonlinear optimization problem. This paper deals with the RFC problem in a Bayesian framework. It uses the unbiased Markov Chain Monte Carlo (MCMC) sampling technique, which can provide accurate posterior probability distributions of the estimated refractivity parameters by using an electromagnetic split-step fast Fourier transform terrain parabolic equation propagation model within a Bayesian inversion framework. In contrast to the global optimization algorithm, the Bayesian—MCMC can obtain not only the approximate solutions, but also the probability distributions of the solutions, that is, uncertainty analyses of solutions. The Bayesian—MCMC algorithm is implemented on the simulation radar sea-clutter data and the real radar sea-clutter data. Reference data are assumed to be simulation data and refractivity profiles are obtained using a helicopter. The inversion algorithm is assessed (i) by comparing the estimated refractivity profiles from the assumed simulation and the helicopter sounding data; (ii) the one-dimensional (1D) and two-dimensional (2D) posterior probability distribution of solutions.

Influence of pitting defects on quality of high power laser light field

NASA Astrophysics Data System (ADS)

Ren, Huan; Zhang, Lin; Yang, Yi; Shi, Zhendong; Ma, Hua; Jiang, Hongzhen; Chen, Bo; Yang, XiaoYu; Zheng, Wanguo; Zhu, Rihong

2018-01-01

With the split-step-Fourier-transform method for solving the nonlinear paraxial wave equation, the intensity distribution of the light field when the pits diameter or depth change is obtained by using numerical simulation, include the intensity distribution inside optical element, the beam near-field, the different distances behind the element and the beam far-field. Results show that with the increase of pits diameter or depth, the light field peak intensity and the contrast inside of element corresponding enhancement. The contrast of the intensity distribution of the rear surface of the element will increase slightly. The peak intensity produced by a specific location element downstream of thermal effect will continue to increase, the damage probability in optics placed here is greatly increased. For the intensity distribution of the far-field, increase the pitting diameter or depth will cause the focal spot intensity distribution changes, and the energy of the spectrum center region increase constantly. This work provide a basis for quantitative design and inspection for pitting defects, which provides a reference for the design of optical path arrangement.

Development and Implementation of a Transport Method for the Transport and Reaction Simulation Engine (TaRSE) based on the Godunov-Mixed Finite Element Method

USGS Publications Warehouse

James, Andrew I.; Jawitz, James W.; Munoz-Carpena, Rafael

2009-01-01

A model to simulate transport of materials in surface water and ground water has been developed to numerically approximate solutions to the advection-dispersion equation. This model, known as the Transport and Reaction Simulation Engine (TaRSE), uses an algorithm that incorporates a time-splitting technique where the advective part of the equation is solved separately from the dispersive part. An explicit finite-volume Godunov method is used to approximate the advective part, while a mixed-finite element technique is used to approximate the dispersive part. The dispersive part uses an implicit discretization, which allows it to run stably with a larger time step than the explicit advective step. The potential exists to develop algorithms that run several advective steps, and then one dispersive step that encompasses the time interval of the advective steps. Because the dispersive step is computationally most expensive, schemes can be implemented that are more computationally efficient than non-time-split algorithms. This technique enables scientists to solve problems with high grid Peclet numbers, such as transport problems with sharp solute fronts, without spurious oscillations in the numerical approximation to the solution and with virtually no artificial diffusion.

49 CFR 40.175 - What steps does the first laboratory take with a split specimen?

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 1 2010-10-01 2010-10-01 false What steps does the first laboratory take with a split specimen? 40.175 Section 40.175 Transportation Office of the Secretary of Transportation... steps does the first laboratory take with a split specimen? (a) As the laboratory at which the primary...

Iterative wave-front reconstruction in the Fourier domain.

PubMed

Bond, Charlotte Z; Correia, Carlos M; Sauvage, Jean-François; Neichel, Benoit; Fusco, Thierry

2017-05-15

The use of Fourier methods in wave-front reconstruction can significantly reduce the computation time for large telescopes with a high number of degrees of freedom. However, Fourier algorithms for discrete data require a rectangular data set which conform to specific boundary requirements, whereas wave-front sensor data is typically defined over a circular domain (the telescope pupil). Here we present an iterative Gerchberg routine modified for the purposes of discrete wave-front reconstruction which adapts the measurement data (wave-front sensor slopes) for Fourier analysis, fulfilling the requirements of the fast Fourier transform (FFT) and providing accurate reconstruction. The routine is used in the adaptation step only and can be coupled to any other Wiener-like or least-squares method. We compare simulations using this method with previous Fourier methods and show an increase in performance in terms of Strehl ratio and a reduction in noise propagation for a 40×40 SPHERE-like adaptive optics system. For closed loop operation with minimal iterations the Gerchberg method provides an improvement in Strehl, from 95.4% to 96.9% in K-band. This corresponds to ~ 40 nm improvement in rms, and avoids the high spatial frequency errors present in other methods, providing an increase in contrast towards the edge of the correctable band.

Step-scan T cell-based differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS) for detection of ambient air contaminants

NASA Astrophysics Data System (ADS)

Liu, Lixian; Mandelis, Andreas; Huan, Huiting; Melnikov, Alexander

2016-10-01

A step-scan differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS) using a commercial FTIR spectrometer was developed theoretically and experimentally for air contaminant monitoring. The configuration comprises two identical, small-size and low-resonance-frequency T cells satisfying the conflicting requirements of low chopping frequency and limited space in the sample compartment. Carbon dioxide (CO2) IR absorption spectra were used to demonstrate the capability of the DFTIR-PAS method to detect ambient pollutants. A linear amplitude response to CO2 concentrations from 100 to 10,000 ppmv was observed, leading to a theoretical detection limit of 2 ppmv. The differential mode was able to suppress the coherent noise, thereby imparting the DFTIR-PAS method with a better signal-to-noise ratio and lower theoretical detection limit than the single mode. The results indicate that it is possible to use step-scan DFTIR-PAS with T cells as a quantitative method for high sensitivity analysis of ambient contaminants.

Analysis of progressive damage in thin circular laminates due to static-equivalent impact loads

NASA Technical Reports Server (NTRS)

Shivakumar, K. N.; Elber, W.; Illg, W.

1983-01-01

Clamped circular graphite/epoxy plates (25.4, 38.1, and 50.8 mm radii) with an 8-ply quasi-isotropic layup were analyzed for static-equivalent impact loads using the minimum-total-potential-energy method and the von Karman strain-displacement equations. A step-by-step incremental transverse displacement procedure was used to calculate plate load and ply stresses. The ply failure region was calculated using the Tsai-Wu criterion. The corresponding failure modes (splitting and fiber failure) were determined using the maximum stress criteria. The first-failure mode was splitting and initiated first in the bottom ply. The splitting-failure thresholds were relatively low and tended to be lower for larger plates than for small plates. The splitting-damage region in each ply was elongated in its fiber direction; the bottom ply had the largest damage region. The calculated damage region for the 25.4-mm-radius plate agreed with limited static test results from the literature.

Implicit-Explicit Time Integration Methods for Non-hydrostatic Atmospheric Models

NASA Astrophysics Data System (ADS)

Gardner, D. J.; Guerra, J. E.; Hamon, F. P.; Reynolds, D. R.; Ullrich, P. A.; Woodward, C. S.

2016-12-01

The Accelerated Climate Modeling for Energy (ACME) project is developing a non-hydrostatic atmospheric dynamical core for high-resolution coupled climate simulations on Department of Energy leadership class supercomputers. An important factor in computational efficiency is avoiding the overly restrictive time step size limitations of fully explicit time integration methods due to the stiffest modes present in the model (acoustic waves). In this work we compare the accuracy and performance of different Implicit-Explicit (IMEX) splittings of the non-hydrostatic equations and various Additive Runge-Kutta (ARK) time integration methods. Results utilizing the Tempest non-hydrostatic atmospheric model and the ARKode package show that the choice of IMEX splitting and ARK scheme has a significant impact on the maximum stable time step size as well as solution quality. Horizontally Explicit Vertically Implicit (HEVI) approaches paired with certain ARK methods lead to greatly improved runtimes. With effective preconditioning IMEX splittings that incorporate some implicit horizontal dynamics can be competitive with HEVI results. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-699187

The morphing of geographical features by Fourier transformation.

PubMed

Li, Jingzhong; Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang

2018-01-01

This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features' continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable.

Hybrid Fourier pseudospectral/discontinuous Galerkin time-domain method for wave propagation

NASA Astrophysics Data System (ADS)

Pagán Muñoz, Raúl; Hornikx, Maarten

2017-11-01

The Fourier Pseudospectral time-domain (Fourier PSTD) method was shown to be an efficient way of modelling acoustic propagation problems as described by the linearized Euler equations (LEE), but is limited to real-valued frequency independent boundary conditions and predominantly staircase-like boundary shapes. This paper presents a hybrid approach to solve the LEE, coupling Fourier PSTD with a nodal Discontinuous Galerkin (DG) method. DG exhibits almost no restrictions with respect to geometrical complexity or boundary conditions. The aim of this novel method is to allow the computation of complex geometries and to be a step towards the implementation of frequency dependent boundary conditions by using the benefits of DG at the boundaries, while keeping the efficient Fourier PSTD in the bulk of the domain. The hybridization approach is based on conformal meshes to avoid spatial interpolation of the DG solutions when transferring values from DG to Fourier PSTD, while the data transfer from Fourier PSTD to DG is done utilizing spectral interpolation of the Fourier PSTD solutions. The accuracy of the hybrid approach is presented for one- and two-dimensional acoustic problems and the main sources of error are investigated. It is concluded that the hybrid methodology does not introduce significant errors compared to the Fourier PSTD stand-alone solver. An example of a cylinder scattering problem is presented and accurate results have been obtained when using the proposed approach. Finally, no instabilities were found during long-time calculation using the current hybrid methodology on a two-dimensional domain.

Stimulated neutrino transformation through turbulence

DOE PAGES

Patton, Kelly M.; Kneller, James P.; McLaughlin, Gail C.

2014-04-30

We derive an analytical solution for the flavor evolution of a neutrino through a turbulent density profile which is found to accurately predict the amplitude and transition wavelength of numerical solutions on a case-by-case basis. The evolution is seen to strongly depend upon those Fourier modes in the turbulence which are approximately the same as the splitting between neutrino eigenvalues. Transitions are strongly enhanced by those Fourier modes in the turbulence which are approximately the same as the splitting between neutrino eigenvalues. Lastly, we also find a suppression of transitions due to the long wavelength modes when the ratio ofmore » their amplitude and the wavenumber is of order, or greater than, the first root of the Bessel function J 0.« less

Development of a time-dependent incompressible Navier-Stokes solver based on a fractional-step method

NASA Technical Reports Server (NTRS)

Rosenfeld, Moshe

1990-01-01

The development, validation and application of a fractional step solution method of the time-dependent incompressible Navier-Stokes equations in generalized coordinate systems are discussed. A solution method that combines a finite-volume discretization with a novel choice of the dependent variables and a fractional step splitting to obtain accurate solutions in arbitrary geometries was previously developed for fixed-grids. In the present research effort, this solution method is extended to include more general situations, including cases with moving grids. The numerical techniques are enhanced to gain efficiency and generality.

Analysis of a Stabilized CNLF Method with Fast Slow Wave Splittings for Flow Problems

DOE PAGES

Jiang, Nan; Tran, Hoang A.

2015-04-01

In this work, we study Crank-Nicolson leap-frog (CNLF) methods with fast-slow wave splittings for Navier-Stokes equations (NSE) with a rotation/Coriolis force term, which is a simplification of geophysical flows. We propose a new stabilized CNLF method where the added stabilization completely removes the method's CFL time step condition. A comprehensive stability and error analysis is given. We also prove that for Oseen equations with the rotation term, the unstable mode (for which u(n+1) + u(n-1) equivalent to 0) of CNLF is asymptotically stable. Numerical results are provided to verify the stability and the convergence of the methods.

The morphing of geographical features by Fourier transformation

PubMed Central

Liu, Pengcheng; Yu, Wenhao; Cheng, Xiaoqiang

2018-01-01

This paper presents a morphing model of vector geographical data based on Fourier transformation. This model involves three main steps. They are conversion from vector data to Fourier series, generation of intermediate function by combination of the two Fourier series concerning a large scale and a small scale, and reverse conversion from combination function to vector data. By mirror processing, the model can also be used for morphing of linear features. Experimental results show that this method is sensitive to scale variations and it can be used for vector map features’ continuous scale transformation. The efficiency of this model is linearly related to the point number of shape boundary and the interceptive value n of Fourier expansion. The effect of morphing by Fourier transformation is plausible and the efficiency of the algorithm is acceptable. PMID:29351344

Step-scan differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS): a spectral deconvolution method for weak absorber detection in the presence of strongly overlapping background absorptions.

PubMed

Liu, Lixian; Mandelis, Andreas; Huan, Huiting; Michaelian, Kirk H

2017-04-01

The determination of small absorption coefficients of trace gases in the atmosphere constitutes a challenge for analytical air contaminant measurements, especially in the presence of strongly absorbing backgrounds. A step-scan differential Fourier transform infrared photoacoustic spectroscopy (DFTIR-PAS) method was developed to suppress the coherent external noise and spurious photoacoustic (PA) signals caused by strongly absorbing backgrounds. The infrared absorption spectra of acetylene (C₂H₂) and local air were used to verify the performance of the step-scan DFTIR-PAS method. A linear amplitude response to C₂H₂ concentrations from 100 to 5000 ppmv was observed, leading to a theoretical detection limit of 5 ppmv. The differential mode was capable of eliminating the coherent noise and dominant background gas signals, thereby revealing the presence of the otherwise hidden C₂H₂ weak absorption. Thus, the step-scan DFTIR-PAS modality was demonstrated to be an effective approach for monitoring weakly absorbing gases with absorption bands overlapped by strongly absorbing background species.

Quadratic String Method for Locating Instantons in Tunneling Splitting Calculations.

PubMed

Cvitaš, Marko T

2018-03-13

The ring-polymer instanton (RPI) method is an efficient technique for calculating approximate tunneling splittings in high-dimensional molecular systems. In the RPI method, tunneling splitting is evaluated from the properties of the minimum action path (MAP) connecting the symmetric wells, whereby the extensive sampling of the full potential energy surface of the exact quantum-dynamics methods is avoided. Nevertheless, the search for the MAP is usually the most time-consuming step in the standard numerical procedures. Recently, nudged elastic band (NEB) and string methods, originaly developed for locating minimum energy paths (MEPs), were adapted for the purpose of MAP finding with great efficiency gains [ J. Chem. Theory Comput. 2016 , 12 , 787 ]. In this work, we develop a new quadratic string method for locating instantons. The Euclidean action is minimized by propagating the initial guess (a path connecting two wells) over the quadratic potential energy surface approximated by means of updated Hessians. This allows the algorithm to take many minimization steps between the potential/gradient calls with further reductions in the computational effort, exploiting the smoothness of potential energy surface. The approach is general, as it uses Cartesian coordinates, and widely applicable, with computational effort of finding the instanton usually lower than that of determining the MEP. It can be combined with expensive potential energy surfaces or on-the-fly electronic-structure methods to explore a wide variety of molecular systems.

Improved diffusion Monte Carlo propagators for bosonic systems using Itô calculus

NASA Astrophysics Data System (ADS)

Hâkansson, P.; Mella, M.; Bressanini, Dario; Morosi, Gabriele; Patrone, Marta

2006-11-01

The construction of importance sampled diffusion Monte Carlo (DMC) schemes accurate to second order in the time step is discussed. A central aspect in obtaining efficient second order schemes is the numerical solution of the stochastic differential equation (SDE) associated with the Fokker-Plank equation responsible for the importance sampling procedure. In this work, stochastic predictor-corrector schemes solving the SDE and consistent with Itô calculus are used in DMC simulations of helium clusters. These schemes are numerically compared with alternative algorithms obtained by splitting the Fokker-Plank operator, an approach that we analyze using the analytical tools provided by Itô calculus. The numerical results show that predictor-corrector methods are indeed accurate to second order in the time step and that they present a smaller time step bias and a better efficiency than second order split-operator derived schemes when computing ensemble averages for bosonic systems. The possible extension of the predictor-corrector methods to higher orders is also discussed.

An Operator-Integration-Factor Splitting (OIFS) method for Incompressible Flows in Moving Domains

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

Patel, Saumil S.; Fischer, Paul F.; Min, Misun

In this paper, we present a characteristic-based numerical procedure for simulating incompressible flows in domains with moving boundaries. Our approach utilizes an operator-integration-factor splitting technique to help produce an effcient and stable numerical scheme. Using the spectral element method and an arbitrary Lagrangian-Eulerian formulation, we investigate flows where the convective acceleration effects are non-negligible. Several examples, ranging from laminar to turbulent flows, are considered. Comparisons with a standard, semi-implicit time-stepping procedure illustrate the improved performance of the scheme.

Fourier Transform Infrared Spectroscopy as a Tool in Analysis of Proteus mirabilis Endotoxins.

PubMed

Żarnowiec, Paulina; Czerwonka, Grzegorz; Kaca, Wiesław

2017-01-01

Fourier transform infrared spectroscopy (FT-IR) was used to scan whole bacterial cells as well as lipopolysaccharides (LPSs, endotoxins) isolated from them. Proteus mirabilis cells, with chemically defined LPSs, served as a model for the ATR FT-IR method. The paper focuses on three steps of infrared spectroscopy: (1) sample preparation, (2) IR scanning, and (3) multivariate analysis of IR data (principal component analysis, PCA).

Plantarflexion moment is a contributor to step length after-effect following walking on a split-belt treadmill in individuals with stroke and healthy individuals.

PubMed

Lauzière, Séléna; Miéville, Carole; Betschart, Martina; Duclos, Cyril; Aissaoui, Rachid; Nadeau, Sylvie

2014-10-01

To assess plantarflexion moment and hip joint moment after-effects following walking on a split-belt treadmill in healthy individuals and individuals post-stroke. Cross-sectional study. Ten healthy individuals (mean age 57.6 years (standard deviation; SD 17.2)) and twenty individuals post-stroke (mean age 49.3 years (SD 13.2)). Participants walked on an instrumented split-belt treadmill under 3 gait periods: i) baseline (tied-belt); ii) adaptation (split-belt); and iii) post-adaptation (tied-belt). Participants post-stroke performed the protocol with the paretic and nonparetic leg on the faster belt when belts were split. Kinematic data were recorded with the Optotrak system and ground reaction forces were collected via the instrumented split-belt treadmill. In both groups, the fast plantarflexion moment was reduced and the slow plantarflexion moment was increased from mid-stance to toe-off in the post-adaptation period. Significant relationships were found between the plantarflexion moment and contralateral step length. Split-belt treadmills could be useful for restoring step length symmetry in individuals post-stroke who present with a longer paretic step length because the use of this type of intervention increases paretic plantarflexion moments. This intervention might be less recommended for individuals post-stroke with a shorter paretic step length because it reduces the paretic plantarflexion moment.

SPIP: A computer program implementing the Interaction Picture method for simulation of light-wave propagation in optical fibre

NASA Astrophysics Data System (ADS)

Balac, Stéphane; Fernandez, Arnaud

2016-02-01

The computer program SPIP is aimed at solving the Generalized Non-Linear Schrödinger equation (GNLSE), involved in optics e.g. in the modelling of light-wave propagation in an optical fibre, by the Interaction Picture method, a new efficient alternative method to the Symmetric Split-Step method. In the SPIP program a dedicated costless adaptive step-size control based on the use of a 4th order embedded Runge-Kutta method is implemented in order to speed up the resolution.

Application of a Split-Fiber Probe to Velocity Measurement in the NASA Research Compressor

NASA Technical Reports Server (NTRS)

Lepicovsky, Jan

2003-01-01

A split-fiber probe was used to acquire unsteady data in a research compressor. The probe has two thin films deposited on a quartz cylinder 200 microns in diameter. A split-fiber probe allows simultaneous measurement of velocity magnitude and direction in a plane that is perpendicular to the sensing cylinder, because it has its circumference divided into two independent parts. Local heat transfer considerations indicated that the probe direction characteristic is linear in the range of flow incidence angles of +/- 35. Calibration tests confirmed this assumption. Of course, the velocity characteristic is nonlinear as is typical in thermal anemometry. The probe was used extensively in the NASA Glenn Research Center (GRC) low-speed, multistage axial compressor, and worked reliably during a test program of several months duration. The velocity and direction characteristics of the probe showed only minute changes during the entire test program. An algorithm was developed to decompose the probe signals into velocity magnitude and velocity direction. The averaged unsteady data were compared with data acquired by pneumatic probes. An overall excellent agreement between the averaged data acquired by a split-fiber probe and a pneumatic probe boosts confidence in the reliability of the unsteady content of the split-fiber probe data. To investigate the features of unsteady data, two methods were used: ensemble averaging and frequency analysis. The velocity distribution in a rotor blade passage was retrieved using the ensemble averaging method. Frequencies of excitation forces that may contribute to high cycle fatigue problems were identified by applying a fast Fourier transform to the absolute velocity data.

Compound image segmentation of published biomedical figures.

PubMed

Li, Pengyuan; Jiang, Xiangying; Kambhamettu, Chandra; Shatkay, Hagit

2018-04-01

Images convey essential information in biomedical publications. As such, there is a growing interest within the bio-curation and the bio-databases communities, to store images within publications as evidence for biomedical processes and for experimental results. However, many of the images in biomedical publications are compound images consisting of multiple panels, where each individual panel potentially conveys a different type of information. Segmenting such images into constituent panels is an essential first step toward utilizing images. In this article, we develop a new compound image segmentation system, FigSplit, which is based on Connected Component Analysis. To overcome shortcomings typically manifested by existing methods, we develop a quality assessment step for evaluating and modifying segmentations. Two methods are proposed to re-segment the images if the initial segmentation is inaccurate. Experimental results show the effectiveness of our method compared with other methods. The system is publicly available for use at: https://www.eecis.udel.edu/~compbio/FigSplit. The code is available upon request. shatkay@udel.edu. Supplementary data are available online at Bioinformatics.

Neuron splitting in compute-bound parallel network simulations enables runtime scaling with twice as many processors.

PubMed

Hines, Michael L; Eichner, Hubert; Schürmann, Felix

2008-08-01

Neuron tree topology equations can be split into two subtrees and solved on different processors with no change in accuracy, stability, or computational effort; communication costs involve only sending and receiving two double precision values by each subtree at each time step. Splitting cells is useful in attaining load balance in neural network simulations, especially when there is a wide range of cell sizes and the number of cells is about the same as the number of processors. For compute-bound simulations load balance results in almost ideal runtime scaling. Application of the cell splitting method to two published network models exhibits good runtime scaling on twice as many processors as could be effectively used with whole-cell balancing.

Split-step eigenvector-following technique for exploring enthalpy landscapes at absolute zero.

PubMed

Mauro, John C; Loucks, Roger J; Balakrishnan, Jitendra

2006-03-16

The mapping of enthalpy landscapes is complicated by the coupling of particle position and volume coordinates. To address this issue, we have developed a new split-step eigenvector-following technique for locating minima and transition points in an enthalpy landscape at absolute zero. Each iteration is split into two steps in order to independently vary system volume and relative atomic coordinates. A separate Lagrange multiplier is used for each eigendirection in order to provide maximum flexibility in determining step sizes. This technique will be useful for mapping the enthalpy landscapes of bulk systems such as supercooled liquids and glasses.

Power play in the supercontinuum spectra of saturable nonlinear media

NASA Astrophysics Data System (ADS)

Nithyanandan, K.; Vasantha Jayakantha Raja, R.; Porsezian, K.

2014-04-01

We investigate the role of pump power in the generation of supercontinua spectra induced by modulational instability (MI) in saturable nonlinear media (SNL). First, we analyze the dynamics of MI in the SNL using linear stability analysis. We then deal with the generation of a broadband spectrum by virtue of the instability process, and identify the unique behavior of MI in the SNL system. Unlike the case of Kerr-type nonlinearity, the so-called critical modulational frequency (CMF) does not monotonically increase, but behaves in a unique way, such that the increase in power increases the CMF up to the saturation power, and a further increase in power decreases the CMF. This behavior is identified to be unusual in the context of MI and thus makes the study of MI and supercontinuum generation (SCG) of interest. In order to confirm the above stated behavior in relation to SCG, we numerically analyzed the SCG using a split-step Fourier method, and the results confirm that at input power equal to saturation power, phase matching occurs at a short distance relative to other power levels and leads to a maximum enhancement of SCG in certain SNL materials.

Fourier-Legendre spectral methods for incompressible channel flow

NASA Technical Reports Server (NTRS)

Zang, T. A.; Hussaini, M. Y.

1984-01-01

An iterative collocation technique is described for modeling implicit viscosity in three-dimensional incompressible wall bounded shear flow. The viscosity can vary temporally and in the vertical direction. Channel flow is modeled with a Fourier-Legendre approximation and the mean streamwise advection is treated implicitly. Explicit terms are handled with an Adams-Bashforth method to increase the allowable time-step for calculation of the implicit terms. The algorithm is applied to low amplitude unstable waves in a plane Poiseuille flow at an Re of 7500. Comparisons are made between results using the Legendre method and with Chebyshev polynomials. Comparable accuracy is obtained for the perturbation kinetic energy predicted using both discretizations.

A fast numerical scheme for causal relativistic hydrodynamics with dissipation

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

Takamoto, Makoto, E-mail: takamoto@tap.scphys.kyoto-u.ac.jp; Inutsuka, Shu-ichiro

2011-08-01

Highlights: {yields} We have developed a new multi-dimensional numerical scheme for causal relativistic hydrodynamics with dissipation. {yields} Our new scheme can calculate the evolution of dissipative relativistic hydrodynamics faster and more effectively than existing schemes. {yields} Since we use the Riemann solver for solving the advection steps, our method can capture shocks very accurately. - Abstract: In this paper, we develop a stable and fast numerical scheme for relativistic dissipative hydrodynamics based on Israel-Stewart theory. Israel-Stewart theory is a stable and causal description of dissipation in relativistic hydrodynamics although it includes relaxation process with the timescale for collision of constituentmore » particles, which introduces stiff equations and makes practical numerical calculation difficult. In our new scheme, we use Strang's splitting method, and use the piecewise exact solutions for solving the extremely short timescale problem. In addition, since we split the calculations into inviscid step and dissipative step, Riemann solver can be used for obtaining numerical flux for the inviscid step. The use of Riemann solver enables us to capture shocks very accurately. Simple numerical examples are shown. The present scheme can be applied to various high energy phenomena of astrophysics and nuclear physics.« less

Spectral difference Lanczos method for efficient time propagation in quantum control theory

NASA Astrophysics Data System (ADS)

Farnum, John D.; Mazziotti, David A.

2004-04-01

Spectral difference methods represent the real-space Hamiltonian of a quantum system as a banded matrix which possesses the accuracy of the discrete variable representation (DVR) and the efficiency of finite differences. When applied to time-dependent quantum mechanics, spectral differences enhance the efficiency of propagation methods for evolving the Schrödinger equation. We develop a spectral difference Lanczos method which is computationally more economical than the sinc-DVR Lanczos method, the split-operator technique, and even the fast-Fourier-Transform Lanczos method. Application of fast propagation is made to quantum control theory where chirped laser pulses are designed to dissociate both diatomic and polyatomic molecules. The specificity of the chirped laser fields is also tested as a possible method for molecular identification and discrimination.

Cryo-EM image alignment based on nonuniform fast Fourier transform.

PubMed

Yang, Zhengfan; Penczek, Pawel A

2008-08-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis.

Cryo-EM Image Alignment Based on Nonuniform Fast Fourier Transform

PubMed Central

Yang, Zhengfan; Penczek, Pawel A.

2008-01-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform Fast Fourier Transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis. PMID:18499351

Perovskite nanocomposites as effective CO2-splitting agents in a cyclic redox scheme

PubMed Central

Zhang, Junshe; Haribal, Vasudev; Li, Fanxing

2017-01-01

We report iron-containing mixed-oxide nanocomposites as highly effective redox materials for thermochemical CO2 splitting and methane partial oxidation in a cyclic redox scheme, where methane was introduced as an oxygen “sink” to promote the reduction of the redox materials followed by reoxidation through CO2 splitting. Up to 96% syngas selectivity in the methane partial oxidation step and close to complete conversion of CO2 to CO in the CO2-splitting step were achieved at 900° to 980°C with good redox stability. The productivity and production rate of CO in the CO2-splitting step were about seven times higher than those in state-of-the-art solar-thermal CO2-splitting processes, which are carried out at significantly higher temperatures. The proposed approach can potentially be applied for acetic acid synthesis with up to 84% reduction in CO2 emission when compared to state-of-the-art processes. PMID:28875171

Mode-splitting of a non-polarizing guided mode resonance filter by substrate overetching effect

NASA Astrophysics Data System (ADS)

Saleem, Muhammad Rizwan; Honkanen, Seppo; Turunen, Jari

2014-03-01

We investigate substrate overetch effect on resonance properties of sub-wavelength titanium oxide (TiO2) Guided Mode Resonance Filters (TiO2-GMRFs). The TiO2-GMRF is designed and fabricated to possess a non-polarizing behavior, which is strongly dependent on substrate (fused silica) overetch depth. For non-polarizing gratings at resonance, TE- and TM-modes have the same propagation constants. However, an overetch substrate effect results in splitting of the degenerate modes, which is studied theoretically and experimentally. The TiO2-SiO2 GMRFs are designed by Fourier Modal method (FMM) based on the rigorous calculation of electromagnetic diffraction theory at a designed wavelength of 850 nm. The TiO2-SiO2 gratings are fabricated by Atomic Layer Deposition (ALD), Electron Beam Lithography (EBL), and Reactive Ion Etching (RIE), and they are subsequently characterized structurally by Scanning Electron Microscopy (SEM) and optically by a spectroscopic ellipsometer. Several grating samples are fabricated by gradually increasing the overetch depth into fused silica and measuring the extent of TE- and TM-mode-splitting. A close agreement between the calculated and experimentally measured resonance wavelength spectral shift is found to describe the mode splitting of non-polarizing gratings.

The cubic-quintic-septic complex Ginzburg-Landau equation formulation of optical pulse propagation in 3D doped Kerr media with higher-order dispersions

NASA Astrophysics Data System (ADS)

Djoko, Martin; Kofane, T. C.

2018-06-01

We investigate the propagation characteristics and stabilization of generalized-Gaussian pulse in highly nonlinear homogeneous media with higher-order dispersion terms. The optical pulse propagation has been modeled by the higher-order (3+1)-dimensional cubic-quintic-septic complex Ginzburg-Landau [(3+1)D CQS-CGL] equation. We have used the variational method to find a set of differential equations characterizing the variation of the pulse parameters in fiber optic-links. The variational equations we obtained have been integrated numerically by the means of the fourth-order Runge-Kutta (RK4) method, which also allows us to investigate the evolution of the generalized-Gaussian beam and the pulse evolution along an optical doped fiber. Then, we have solved the original nonlinear (3+1)D CQS-CGL equation with the split-step Fourier method (SSFM), and compare the results with those obtained, using the variational approach. A good agreement between analytical and numerical methods is observed. The evolution of the generalized-Gaussian beam has shown oscillatory propagation, and bell-shaped dissipative optical bullets have been obtained under certain parameter values in both anomalous and normal chromatic dispersion regimes. Using the natural control parameter of the solution as it evolves, named the total energy Q, our numerical simulations reveal the existence of 3D stable vortex dissipative light bullets, 3D stable spatiotemporal optical soliton, stationary and pulsating optical bullets, depending on the used initial input condition (symmetric or elliptic).

A space-time lower-upper symmetric Gauss-Seidel scheme for the time-spectral method

NASA Astrophysics Data System (ADS)

Zhan, Lei; Xiong, Juntao; Liu, Feng

2016-05-01

The time-spectral method (TSM) offers the advantage of increased order of accuracy compared to methods using finite-difference in time for periodic unsteady flow problems. Explicit Runge-Kutta pseudo-time marching and implicit schemes have been developed to solve iteratively the space-time coupled nonlinear equations resulting from TSM. Convergence of the explicit schemes is slow because of the stringent time-step limit. Many implicit methods have been developed for TSM. Their computational efficiency is, however, still limited in practice because of delayed implicit temporal coupling, multiple iterative loops, costly matrix operations, or lack of strong diagonal dominance of the implicit operator matrix. To overcome these shortcomings, an efficient space-time lower-upper symmetric Gauss-Seidel (ST-LU-SGS) implicit scheme with multigrid acceleration is presented. In this scheme, the implicit temporal coupling term is split as one additional dimension of space in the LU-SGS sweeps. To improve numerical stability for periodic flows with high frequency, a modification to the ST-LU-SGS scheme is proposed. Numerical results show that fast convergence is achieved using large or even infinite Courant-Friedrichs-Lewy (CFL) numbers for unsteady flow problems with moderately high frequency and with the use of moderately high numbers of time intervals. The ST-LU-SGS implicit scheme is also found to work well in calculating periodic flow problems where the frequency is not known a priori and needed to be determined by using a combined Fourier analysis and gradient-based search algorithm.

Methodology for processing pressure traces used as inputs for combustion analyses in diesel engines

NASA Astrophysics Data System (ADS)

Rašić, Davor; Vihar, Rok; Žvar Baškovič, Urban; Katrašnik, Tomaž

2017-05-01

This study proposes a novel methodology for designing an optimum equiripple finite impulse response (FIR) filter for processing in-cylinder pressure traces of a diesel internal combustion engine, which serve as inputs for high-precision combustion analyses. The proposed automated workflow is based on an innovative approach of determining the transition band frequencies and optimum filter order. The methodology is based on discrete Fourier transform analysis, which is the first step to estimate the location of the pass-band and stop-band frequencies. The second step uses short-time Fourier transform analysis to refine the estimated aforementioned frequencies. These pass-band and stop-band frequencies are further used to determine the most appropriate FIR filter order. The most widely used existing methods for estimating the FIR filter order are not effective in suppressing the oscillations in the rate- of-heat-release (ROHR) trace, thus hindering the accuracy of combustion analyses. To address this problem, an innovative method for determining the order of an FIR filter is proposed in this study. This method is based on the minimization of the integral of normalized signal-to-noise differences between the stop-band frequency and the Nyquist frequency. Developed filters were validated using spectral analysis and calculation of the ROHR. The validation results showed that the filters designed using the proposed innovative method were superior compared with those using the existing methods for all analyzed cases. Highlights • Pressure traces of a diesel engine were processed by finite impulse response (FIR) filters with different orders • Transition band frequencies were determined with an innovative method based on discrete Fourier transform and short-time Fourier transform • Spectral analyses showed deficiencies of existing methods in determining the FIR filter order • A new method of determining the FIR filter order for processing pressure traces was proposed • The efficiency of the new method was demonstrated by spectral analyses and calculations of rate-of-heat-release traces

A GPU-accelerated semi-implicit fractional-step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2018-01-01

Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

Issues in measure-preserving three dimensional flow integrators: Self-adjointness, reversibility, and non-uniform time stepping

DOE PAGES

Finn, John M.

2015-03-01

Properties of integration schemes for solenoidal fields in three dimensions are studied, with a focus on integrating magnetic field lines in a plasma using adaptive time stepping. It is shown that implicit midpoint (IM) and a scheme we call three-dimensional leapfrog (LF) can do a good job (in the sense of preserving KAM tori) of integrating fields that are reversible, or (for LF) have a 'special divergence-free' property. We review the notion of a self-adjoint scheme, showing that such schemes are at least second order accurate and can always be formed by composing an arbitrary scheme with its adjoint. Wemore » also review the concept of reversibility, showing that a reversible but not exactly volume-preserving scheme can lead to a fractal invariant measure in a chaotic region, although this property may not often be observable. We also show numerical results indicating that the IM and LF schemes can fail to preserve KAM tori when the reversibility property (and the SDF property for LF) of the field is broken. We discuss extensions to measure preserving flows, the integration of magnetic field lines in a plasma and the integration of rays for several plasma waves. The main new result of this paper relates to non-uniform time stepping for volume-preserving flows. We investigate two potential schemes, both based on the general method of Ref. [11], in which the flow is integrated in split time steps, each Hamiltonian in two dimensions. The first scheme is an extension of the method of extended phase space, a well-proven method of symplectic integration with non-uniform time steps. This method is found not to work, and an explanation is given. The second method investigated is a method based on transformation to canonical variables for the two split-step Hamiltonian systems. This method, which is related to the method of non-canonical generating functions of Ref. [35], appears to work very well.« less

A spectral approach for discrete dislocation dynamics simulations of nanoindentation

NASA Astrophysics Data System (ADS)

Bertin, Nicolas; Glavas, Vedran; Datta, Dibakar; Cai, Wei

2018-07-01

We present a spectral approach to perform nanoindentation simulations using three-dimensional nodal discrete dislocation dynamics. The method relies on a two step approach. First, the contact problem between an indenter of arbitrary shape and an isotropic elastic half-space is solved using a spectral iterative algorithm, and the contact pressure is fully determined on the half-space surface. The contact pressure is then used as a boundary condition of the spectral solver to determine the resulting stress field produced in the simulation volume. In both stages, the mechanical fields are decomposed into Fourier modes and are efficiently computed using fast Fourier transforms. To further improve the computational efficiency, the method is coupled with a subcycling integrator and a special approach is devised to approximate the displacement field associated with surface steps. As a benchmark, the method is used to compute the response of an elastic half-space using different types of indenter. An example of a dislocation dynamics nanoindentation simulation with complex initial microstructure is presented.

Statistical study of generalized nonlinear phase step estimation methods in phase-shifting interferometry.

PubMed

Langoju, Rajesh; Patil, Abhijit; Rastogi, Pramod

2007-11-20

Signal processing methods based on maximum-likelihood theory, discrete chirp Fourier transform, and spectral estimation methods have enabled accurate measurement of phase in phase-shifting interferometry in the presence of nonlinear response of the piezoelectric transducer to the applied voltage. We present the statistical study of these generalized nonlinear phase step estimation methods to identify the best method by deriving the Cramér-Rao bound. We also address important aspects of these methods for implementation in practical applications and compare the performance of the best-identified method with other bench marking algorithms in the presence of harmonics and noise.

Solar thermochemical splitting of water to generate hydrogen

PubMed Central

Rao, C. N. R.; Dey, Sunita

2017-01-01

Solar photochemical means of splitting water (artificial photosynthesis) to generate hydrogen is emerging as a viable process. The solar thermochemical route also promises to be an attractive means of achieving this objective. In this paper we present different types of thermochemical cycles that one can use for the purpose. These include the low-temperature multistep process as well as the high-temperature two-step process. It is noteworthy that the multistep process based on the Mn(II)/Mn(III) oxide system can be carried out at 700 °C or 750 °C. The two-step process has been achieved at 1,300 °C/900 °C by using yttrium-based rare earth manganites. It seems possible to render this high-temperature process as an isothermal process. Thermodynamics and kinetics of H2O splitting are largely controlled by the inherent redox properties of the materials. Interestingly, under the conditions of H2O splitting in the high-temperature process CO2 can also be decomposed to CO, providing a feasible method for generating the industrially important syngas (CO+H2). Although carbonate formation can be addressed as a hurdle during CO2 splitting, the problem can be avoided by a suitable choice of experimental conditions. The choice of the solar reactor holds the key for the commercialization of thermochemical fuel production. PMID:28522461

Split-plot designs for robotic serial dilution assays.

PubMed

Buzas, Jeffrey S; Wager, Carrie G; Lansky, David M

2011-12-01

This article explores effective implementation of split-plot designs in serial dilution bioassay using robots. We show that the shortest path for a robot to fill plate wells for a split-plot design is equivalent to the shortest common supersequence problem in combinatorics. We develop an algorithm for finding the shortest common supersequence, provide an R implementation, and explore the distribution of the number of steps required to implement split-plot designs for bioassay through simulation. We also show how to construct collections of split plots that can be filled in a minimal number of steps, thereby demonstrating that split-plot designs can be implemented with nearly the same effort as strip-plot designs. Finally, we provide guidelines for modeling data that result from these designs. © 2011, The International Biometric Society.

Well-posedness and decay for the dissipative system modeling electro-hydrodynamics in negative Besov spaces

NASA Astrophysics Data System (ADS)

Zhao, Jihong; Liu, Qiao

2017-07-01

In Guo and Wang (2012) [10], Y. Guo and Y. Wang developed a general new energy method for proving the optimal time decay rates of the solutions to dissipative equations. In this paper, we generalize this method in the framework of homogeneous Besov spaces. Moreover, we apply this method to a model arising from electro-hydrodynamics, which is a strongly coupled system of the Navier-Stokes equations and the Poisson-Nernst-Planck equations through charge transport and external forcing terms. We show that some weighted negative Besov norms of solutions are preserved along time evolution, and obtain the optimal time decay rates of the higher-order spatial derivatives of solutions by the Fourier splitting approach and the interpolation techniques.

Absolute Measurement of Tilts via Fourier Analysis of Interferograms

NASA Technical Reports Server (NTRS)

Toland, Ronald W.

2004-01-01

The Fourier method of interferogram analysis requires the introduction of a constant tilt into the inteferogram to serve as a 'carrier signal' for information on the figure of the surface under test. This tilt is usually removed in the first steps of analysis and ignored thereafter. However, in the problem of aligning optical components and systems, knowledge of part orientation is crucial to proper instrument performance. This paper outlines an algorithm which uses the normally ignored carrier signal in Fourier analysis to compute an absolute tilt (orientation) of the test surface. We also provide a brief outline of how this technique, incorporated in a rotating Twyman-Green interferometer, can be used in alignment and metrology of optical systems.

Absolute Measurement of Tilts via Fourier Analysis of Interferograms

NASA Technical Reports Server (NTRS)

Toland, Ronald W.

2004-01-01

The Fourier method of interferogram analysis requires the introduction of a constant tilt into the interferogram to serve as a carrier signal for information on the figure of the surface under test. This tilt is usually removed in the first steps of analysis and ignored thereafter. However, in the problem of aligning optical components and systems, knowledge of part orientation is crucial to proper instrument performance. This paper outlines an algorithm which uses the normally ignored carrier signal in Fourier analysis to compute an absolute tilt (orientation) of the test surface. We also provide a brief outline of how this technique, incorporated in a rotating Twyman-Green interferometer, can be used in alignment and metrology of optical systems.

Elliptical Fourier analysis: fundamentals, applications, and value for forensic anthropology.

PubMed

Caple, Jodi; Byrd, John; Stephan, Carl N

2017-11-01

The numerical description of skeletal morphology enables forensic anthropologists to conduct objective, reproducible, and structured tests, with the added capability of verifying morphoscopic-based analyses. One technique that permits comprehensive quantification of outline shape is elliptical Fourier analysis. This curve fitting technique allows a form's outline to be approximated via the sum of multiple sine and cosine waves, permitting the profile perimeter of an object to be described in a dense (continuous) manner at a user-defined level of precision. A large amount of shape information (the entire perimeter) can thereby be collected in contrast to other methods relying on sparsely located landmarks where information falling in between the landmarks fails to be acquired. First published in 1982, elliptical Fourier analysis employment in forensic anthropology from 2000 onwards reflects a slow uptake despite large computing power that makes its calculations easy to conduct. Without hurdles arising from calculation speed or quantity, the slow uptake may partly reside with the underlying mathematics that on first glance is extensive and potentially intimidating. In this paper, we aim to bridge this gap by pictorially illustrating how elliptical Fourier harmonics work in a simple step-by-step visual fashion to facilitate universal understanding and as geared towards increased use in forensic anthropology. We additionally provide a short review of the method's utility for osteology, a summary of past uses in forensic anthropology, and software options for calculations that largely save the user the trouble of coding customized routines.

Criteria for confirming sequence periodicity identified by Fourier transform analysis: application to GCR2, a candidate plant GPCR?

PubMed

Illingworth, Christopher J R; Parkes, Kevin E; Snell, Christopher R; Mullineaux, Philip M; Reynolds, Christopher A

2008-03-01

Methods to determine periodicity in protein sequences are useful for inferring function. Fourier transformation is one approach but care is required to ensure the periodicity is genuine. Here we have shown that empirically-derived statistical tables can be used as a measure of significance. Genuine protein sequences data rather than randomly generated sequences were used as the statistical backdrop. The method has been applied to G-protein coupled receptor (GPCR) sequences, by Fourier transformation of hydrophobicity values, codon frequencies and the extent of over-representation of codon pairs; the latter being related to translational step times. Genuine periodicity was observed in the hydrophobicity whereas the apparent periodicity (as inferred from previously reported measures) in the translation step times was not validated statistically. GCR2 has recently been proposed as the plant GPCR receptor for the hormone abscisic acid. It has homology to the Lanthionine synthetase C-like family of proteins, an observation confirmed by fold recognition. Application of the Fourier transform algorithm to the GCR2 family revealed strongly predicted seven fold periodicity in hydrophobicity, suggesting why GCR2 has been reported to be a GPCR, despite negative indications in most transmembrane prediction algorithms. The underlying multiple sequence alignment, also required for the Fourier transform analysis of periodicity, indicated that the hydrophobic regions around the 7 GXXG motifs commence near the C-terminal end of each of the 7 inner helices of the alpha-toroid and continue to the N-terminal region of the helix. The results clearly explain why GCR2 has been understandably but erroneously predicted to be a GPCR.

Chemical splitting of multiwalled carbon nanotubes to enhance electrochemical capacitance for supercapacitors

NASA Astrophysics Data System (ADS)

Li, Xinlu; Li, Tongtao; Zhang, Xinlin; Zhong, Qineng; Li, Hongyi; Huang, Jiamu

2014-06-01

Multiwalled carbon nanotubes (MWCNTs) were chemically split and self-assembled to a flexible porous paper made of graphene oxide nanoribbons (GONRs). The morphology and microstructure of the pristine MWCNTs and GONRs were analyzed by transmission electron microscopy, scanning electron microscopy, X-ray diffraction, Raman spectroscopy and Fourier transform infrared spectroscopy. And the specific surface area and porosity structure were measured by N2 adsorption-desorption. The longitudinally split MWCNTs show an enhancement in specific capacitance from 21 F g-1 to 156 F g-1 compared with the pristine counterpart at 0.1 A g-1 in a 6 M KOH aqueous electrolytes. The electrochemical experiments prove that the chemical splitting of MWCNTs will make inner carbon layers opened and exposed to electrochemical double layers, which can effectively improve the electrochemical capacitance for supercapacitors.

Split Bregman's optimization method for image construction in compressive sensing

NASA Astrophysics Data System (ADS)

Skinner, D.; Foo, S.; Meyer-Bäse, A.

2014-05-01

The theory of compressive sampling (CS) was reintroduced by Candes, Romberg and Tao, and D. Donoho in 2006. Using a priori knowledge that a signal is sparse, it has been mathematically proven that CS can defY Nyquist sampling theorem. Theoretically, reconstruction of a CS image relies on the minimization and optimization techniques to solve this complex almost NP-complete problem. There are many paths to consider when compressing and reconstructing an image but these methods have remained untested and unclear on natural images, such as underwater sonar images. The goal of this research is to perfectly reconstruct the original sonar image from a sparse signal while maintaining pertinent information, such as mine-like object, in Side-scan sonar (SSS) images. Goldstein and Osher have shown how to use an iterative method to reconstruct the original image through a method called Split Bregman's iteration. This method "decouples" the energies using portions of the energy from both the !1 and !2 norm. Once the energies are split, Bregman iteration is used to solve the unconstrained optimization problem by recursively solving the problems simultaneously. The faster these two steps or energies can be solved then the faster the overall method becomes. While the majority of CS research is still focused on the medical field, this paper will demonstrate the effectiveness of the Split Bregman's methods on sonar images.

Two biomechanical strategies for locomotor adaptation to split-belt treadmill walking in subjects with and without transtibial amputation.

PubMed

Selgrade, Brian P; Toney, Megan E; Chang, Young-Hui

2017-02-28

Locomotor adaptation is commonly studied using split-belt treadmill walking, in which each foot is placed on a belt moving at a different speed. As subjects adapt to split-belt walking, they reduce metabolic power, but the biomechanical mechanism behind this improved efficiency is unknown. Analyzing mechanical work performed by the legs and joints during split-belt adaptation could reveal this mechanism. Because ankle work in the step-to-step transition is more efficient than hip work, we hypothesized that control subjects would reduce hip work on the fast belt and increase ankle work during the step-to-step transition as they adapted. We further hypothesized that subjects with unilateral, trans-tibial amputation would instead increase propulsive work from their intact leg on the slow belt. Control subjects reduced hip work and shifted more ankle work to the step-to-step transition, supporting our hypothesis. Contrary to our second hypothesis, intact leg work, ankle work and hip work in amputees were unchanged during adaptation. Furthermore, all subjects increased collisional energy loss on the fast belt, but did not increase propulsive work. This was possible because subjects moved further backward during fast leg single support in late adaptation than in early adaptation, compensating by reducing backward movement in slow leg single support. In summary, subjects used two strategies to improve mechanical efficiency in split-belt walking adaptation: a CoM displacement strategy that allows for less forward propulsion on the fast belt; and, an ankle timing strategy that allows efficient ankle work in the step-to-step transition to increase while reducing inefficient hip work. Copyright © 2017 Elsevier Ltd. All rights reserved.

Speeding Fermat's factoring method

NASA Astrophysics Data System (ADS)

McKee, James

A factoring method is presented which, heuristically, splits composite n in O(n^{1/4+epsilon}) steps. There are two ideas: an integer approximation to sqrt(q/p) provides an O(n^{1/2+epsilon}) algorithm in which n is represented as the difference of two rational squares; observing that if a prime m divides a square, then m^2 divides that square, a heuristic speed-up to O(n^{1/4+epsilon}) steps is achieved. The method is well-suited for use with small computers: the storage required is negligible, and one never needs to work with numbers larger than n itself.

A simplified focusing and astigmatism correction method for a scanning electron microscope

NASA Astrophysics Data System (ADS)

Lu, Yihua; Zhang, Xianmin; Li, Hai

2018-01-01

Defocus and astigmatism can lead to blurred images and poor resolution. This paper presents a simplified method for focusing and astigmatism correction of a scanning electron microscope (SEM). The method consists of two steps. In the first step, the fast Fourier transform (FFT) of the SEM image is performed and the FFT is subsequently processed with a threshold to achieve a suitable result. In the second step, the threshold FFT is used for ellipse fitting to determine the presence of defocus and astigmatism. The proposed method clearly provides the relationships between the defocus, the astigmatism and the direction of stretching of the FFT, and it can determine the astigmatism in a single image. Experimental studies are conducted to demonstrate the validity of the proposed method.

Nonadiabatic laser-induced alignment of molecules: Reconstructing ⟨ θ⟩ directly from ⟨ θ2D⟩ by Fourier analysis.

PubMed

Søndergaard, Anders Aspegren; Shepperson, Benjamin; Stapelfeldt, Henrik

2017-07-07

We present an efficient, noise-robust method based on Fourier analysis for reconstructing the three-dimensional measure of the alignment degree, ⟨cos 2 θ⟩, directly from its two-dimensional counterpart, ⟨cos 2 θ 2D ⟩. The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent ⟨cos 2 θ 2D ⟩ trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of ⟨cos 2 θ⟩. These additional frequency components can be identified and removed from the Fourier spectrum of ⟨cos 2 θ 2D ⟩. By rescaling of the remaining frequency components, the Fourier spectrum of ⟨cos 2 θ⟩ is obtained and, finally, ⟨cos 2 θ⟩ is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the ⟨cos 2 θ⟩ trace from a measured ⟨cos 2 θ 2D ⟩ trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated ⟨cos 2 θ⟩ traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I 2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of cos 2 θ 2D and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of ⟨cos 2 θ 2D ⟩ and ⟨cos 2 θ⟩ in general.

Particulate photocatalysts for overall water splitting

NASA Astrophysics Data System (ADS)

Chen, Shanshan; Takata, Tsuyoshi; Domen, Kazunari

2017-10-01

The conversion of solar energy to chemical energy is a promising way of generating renewable energy. Hydrogen production by means of water splitting over semiconductor photocatalysts is a simple, cost-effective approach to large-scale solar hydrogen synthesis. Since the discovery of the Honda-Fujishima effect, considerable progress has been made in this field, and numerous photocatalytic materials and water-splitting systems have been developed. In this Review, we summarize existing water-splitting systems based on particulate photocatalysts, focusing on the main components: light-harvesting semiconductors and co-catalysts. The essential design principles of the materials employed for overall water-splitting systems based on one-step and two-step photoexcitation are also discussed, concentrating on three elementary processes: photoabsorption, charge transfer and surface catalytic reactions. Finally, we outline challenges and potential advances associated with solar water splitting by particulate photocatalysts for future commercial applications.

Automatic tracking of dynamical evolutions of oceanic mesoscale eddies with satellite observation data

NASA Astrophysics Data System (ADS)

Sun, Liang; Li, Qiu-Yang

2017-04-01

The oceanic mesoscale eddies play a major role in ocean climate system. To analyse spatiotemporal dynamics of oceanic mesoscale eddies, the Genealogical Evolution Model (GEM) based on satellite data is developed, which is an efficient logical model used to track dynamic evolution of mesoscale eddies in the ocean. It can distinguish different dynamic processes (e.g., merging and splitting) within a dynamic evolution pattern, which is difficult to accomplish using other tracking methods. To this end, a mononuclear eddy detection method was firstly developed with simple segmentation strategies, e.g. watershed algorithm. The algorithm is very fast by searching the steepest descent path. Second, the GEM uses a two-dimensional similarity vector (i.e. a pair of ratios of overlap area between two eddies to the area of each eddy) rather than a scalar to measure the similarity between eddies, which effectively solves the ''missing eddy" problem (temporarily lost eddy in tracking). Third, for tracking when an eddy splits, GEM uses both "parent" (the original eddy) and "child" (eddy split from parent) and the dynamic processes are described as birth and death of different generations. Additionally, a new look-ahead approach with selection rules effectively simplifies computation and recording. All of the computational steps are linear and do not include iteration. Given the pixel number of the target region L, the maximum number of eddies M, the number N of look-ahead time steps, and the total number of time steps T, the total computer time is O (LM(N+1)T). The tracking of each eddy is very smooth because we require that the snapshots of each eddy on adjacent days overlap one another. Although eddy splitting or merging is ubiquitous in the ocean, they have different geographic distribution in the Northern Pacific Ocean. Both the merging and splitting rates of the eddies are high, especially at the western boundary, in currents and in "eddy deserts". GEM is useful not only for satellite-based observational data but also for numerical simulation outputs. It is potentially useful for studying dynamic processes in other related fields, e.g., the dynamics of cyclones in meteorology.

Alternating Direction Implicit (ADI) schemes for a PDE-based image osmosis model

NASA Astrophysics Data System (ADS)

Calatroni, L.; Estatico, C.; Garibaldi, N.; Parisotto, S.

2017-10-01

We consider Alternating Direction Implicit (ADI) splitting schemes to compute efficiently the numerical solution of the PDE osmosis model considered by Weickert et al. in [10] for several imaging applications. The discretised scheme is shown to preserve analogous properties to the continuous model. The dimensional splitting strategy traduces numerically into the solution of simple tridiagonal systems for which standard matrix factorisation techniques can be used to improve upon the performance of classical implicit methods, even for large time steps. Applications to the shadow removal problem are presented.

A spectral radius scaling semi-implicit iterative time stepping method for reactive flow simulations with detailed chemistry

NASA Astrophysics Data System (ADS)

Xie, Qing; Xiao, Zhixiang; Ren, Zhuyin

2018-09-01

A spectral radius scaling semi-implicit time stepping scheme has been developed for simulating unsteady compressible reactive flows with detailed chemistry, in which the spectral radius in the LUSGS scheme has been augmented to account for viscous/diffusive and reactive terms and a scalar matrix is proposed to approximate the chemical Jacobian using the minimum species destruction timescale. The performance of the semi-implicit scheme, together with a third-order explicit Runge-Kutta scheme and a Strang splitting scheme, have been investigated in auto-ignition and laminar premixed and nonpremixed flames of three representative fuels, e.g., hydrogen, methane, and n-heptane. Results show that the minimum species destruction time scale can well represent the smallest chemical time scale in reactive flows and the proposed scheme can significantly increase the allowable time steps in simulations. The scheme is stable when the time step is as large as 10 μs, which is about three to five orders of magnitude larger than the smallest time scales in various tests considered. For the test flames considered, the semi-implicit scheme achieves second order of accuracy in time. Moreover, the errors in quantities of interest are smaller than those from the Strang splitting scheme indicating the accuracy gain when the reaction and transport terms are solved coupled. Results also show that the relative efficiency of different schemes depends on fuel mechanisms and test flames. When the minimum time scale in reactive flows is governed by transport processes instead of chemical reactions, the proposed semi-implicit scheme is more efficient than the splitting scheme. Otherwise, the relative efficiency depends on the cost in sub-iterations for convergence within each time step and in the integration for chemistry substep. Then, the capability of the compressible reacting flow solver and the proposed semi-implicit scheme is demonstrated for capturing the hydrogen detonation waves. Finally, the performance of the proposed method is demonstrated in a two-dimensional hydrogen/air diffusion flame.

Split-Step Timing of Professional and Junior Tennis Players

PubMed Central

Leskosek, Bojan; Filipcic, Tjasa

2017-01-01

Abstract The purpose of the study was to determine the timing of a split-step in three categories of tennis players in four groups of strokes. Subjects were divided into three groups: male and female junior, and male professional tennis players. During two tournaments, all matches were recorded with two fixed video cameras. For every stroke, the timing of the split-step between the opponent’s impact point when hitting the ball and the player’s split-step was measured. A two-way analysis of variance (ANOVA) was used to determine the differences between groups of strokes, players and the interaction Player x Stroke Group. A Tukey post-hoc test was employed to determine specific differences. The results revealed differences between players in detecting the opponent’s movement, stroke and ball flight, which were reflected in different split-step timings. Each tennis player has his/her own timing mechanism which they adapt to various game situations. Response times differ significantly depending on the game situation. On average, they are the lowest in the serve, and then gradually rise from the return of the serve to baseline game, reaching the highest values in specific game situations. Players react faster in the first serve than in the second one and in the return of the serve, the response times are lower after the return of the second serve PMID:28210342

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

Vay, Jean-Luc, E-mail: jlvay@lbl.gov; Haber, Irving; Godfrey, Brendan B.

Pseudo-spectral electromagnetic solvers (i.e. representing the fields in Fourier space) have extraordinary precision. In particular, Haber et al. presented in 1973 a pseudo-spectral solver that integrates analytically the solution over a finite time step, under the usual assumption that the source is constant over that time step. Yet, pseudo-spectral solvers have not been widely used, due in part to the difficulty for efficient parallelization owing to global communications associated with global FFTs on the entire computational domains. A method for the parallelization of electromagnetic pseudo-spectral solvers is proposed and tested on single electromagnetic pulses, and on Particle-In-Cell simulations of themore » wakefield formation in a laser plasma accelerator. The method takes advantage of the properties of the Discrete Fourier Transform, the linearity of Maxwell’s equations and the finite speed of light for limiting the communications of data within guard regions between neighboring computational domains. Although this requires a small approximation, test results show that no significant error is made on the test cases that have been presented. The proposed method opens the way to solvers combining the favorable parallel scaling of standard finite-difference methods with the accuracy advantages of pseudo-spectral methods.« less

The use of poly-cation oxides to lower the temperature of two-step thermochemical water splitting

DOE PAGES

Zhai, Shang; Rojas, Jimmy; Ahlborg, Nadia; ...

2018-01-01

We report the discovery of a new class of oxides – poly-cation oxides (PCOs) – that consist of multiple cations and can thermochemically split water in a two-step cycle to produce hydrogen (H 2 ) and oxygen (O 2 ).

29 CFR 1926.1053 - Ladders.

Code of Federal Regulations, 2014 CFR

2014-07-01

...) SAFETY AND HEALTH REGULATIONS FOR CONSTRUCTION Stairways and Ladders § 1926.1053 Ladders. Link to an... structural defects, such as, but not limited to, broken or missing rungs, cleats, or steps, broken or split..., such as, but not limited to, broken or missing rungs, cleats, or steps, broken or split rails, or...

TOTAL ORE PROCESSING INTEGRATION AND MANAGEMENT

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

Leslie Gertsch; Richard Gertsch

2005-05-16

The lessons learned from ore segregation test No.3 were presented to Minntac Mine personnel during the reporting period. Ore was segregated by A-Factor, with low values going to Step 1/2 and high values going to Step 3. During the test, the mine maintained the best split possible for the given production and location constraints. During the test, Step 1&2 A-Factor was lowered more than Step 3 was raised. All other ore quality changes were not manipulated, but the segregation by A-Factor affected most of the other qualities. Magnetic iron, coarse tails, fine tails, silica, and grind changed in response tomore » the split. Segregation was achieved by adding ore from HIS to the Step 3 blend and lowering the amount of LC 1&2 and somewhat lowering the amount of LC 3&4. Conversely, Step 1&2 received less HIS with a corresponding increase in LC 1&2. The amount of IBC was increased to both Steps about one-third of the way into the test. For about the center half of the test, LC 3&4 was reduced to both Steps. The most noticeable layer changes were, then: an increase in the HIS split; a decrease in the LC 1&2 split; adding IBC to both Steps; and lowering LC 3&4 to both Steps. Statistical analysis of the dataset collected during ordinary, non-segregated operation of the mine and mill is continuing. Graphical analysis of blast patterns according to drill monitor data was slowed by student classwork. It is expected to resume after the semester ends in May.« less

A comparison of artificial compressibility and fractional step methods for incompressible flow computations

NASA Technical Reports Server (NTRS)

Chan, Daniel C.; Darian, Armen; Sindir, Munir

1992-01-01

We have applied and compared the efficiency and accuracy of two commonly used numerical methods for the solution of Navier-Stokes equations. The artificial compressibility method augments the continuity equation with a transient pressure term and allows one to solve the modified equations as a coupled system. Due to its implicit nature, one can have the luxury of taking a large temporal integration step at the expense of higher memory requirement and larger operation counts per step. Meanwhile, the fractional step method splits the Navier-Stokes equations into a sequence of differential operators and integrates them in multiple steps. The memory requirement and operation count per time step are low, however, the restriction on the size of time marching step is more severe. To explore the strengths and weaknesses of these two methods, we used them for the computation of a two-dimensional driven cavity flow with Reynolds number of 100 and 1000, respectively. Three grid sizes, 41 x 41, 81 x 81, and 161 x 161 were used. The computations were considered after the L2-norm of the change of the dependent variables in two consecutive time steps has fallen below 10(exp -5).

Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

2012-01-01

By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.

Real time en face Fourier-domain optical coherence tomography with direct hardware frequency demodulation

PubMed Central

Biedermann, Benjamin R.; Wieser, Wolfgang; Eigenwillig, Christoph M.; Palte, Gesa; Adler, Desmond C.; Srinivasan, Vivek J.; Fujimoto, James G.; Huber, Robert

2009-01-01

We demonstrate en face swept source optical coherence tomography (ss-OCT) without requiring a Fourier transformation step. The electronic optical coherence tomography (OCT) interference signal from a k-space linear Fourier domain mode-locked laser is mixed with an adjustable local oscillator, yielding the analytic reflectance signal from one image depth for each frequency sweep of the laser. Furthermore, a method for arbitrarily shaping the spectral intensity profile of the laser is presented, without requiring the step of numerical apodization. In combination, these two techniques enable sampling of the in-phase and quadrature signal with a slow analog-to-digital converter and allow for real-time display of en face projections even for highest axial scan rates. Image data generated with this technique is compared to en face images extracted from a three-dimensional OCT data set. This technique can allow for real-time visualization of arbitrarily oriented en face planes for the purpose of alignment, registration, or operator-guided survey scans while simultaneously maintaining the full capability of high-speed volumetric ss-OCT functionality. PMID:18978919

Space-time domain solutions of the wave equation by a non-singular boundary integral method and Fourier transform.

PubMed

Klaseboer, Evert; Sepehrirahnama, Shahrokh; Chan, Derek Y C

2017-08-01

The general space-time evolution of the scattering of an incident acoustic plane wave pulse by an arbitrary configuration of targets is treated by employing a recently developed non-singular boundary integral method to solve the Helmholtz equation in the frequency domain from which the space-time solution of the wave equation is obtained using the fast Fourier transform. The non-singular boundary integral solution can enforce the radiation boundary condition at infinity exactly and can account for multiple scattering effects at all spacings between scatterers without adverse effects on the numerical precision. More generally, the absence of singular kernels in the non-singular integral equation confers high numerical stability and precision for smaller numbers of degrees of freedom. The use of fast Fourier transform to obtain the time dependence is not constrained to discrete time steps and is particularly efficient for studying the response to different incident pulses by the same configuration of scatterers. The precision that can be attained using a smaller number of Fourier components is also quantified.

Smart phone monitoring of second heart sound split.

PubMed

Thiyagaraja, Shanti R; Vempati, Jagannadh; Dantu, Ram; Sarma, Tom; Dantu, Siva

2014-01-01

Heart Auscultation (listening to heart sounds) is the basic element of cardiac diagnosis. The interpretation of these sounds is a difficult skill to acquire. In this work we have developed an application to detect, monitor, and analyze the split in second heart sound (S2) using a smart phone. The application records the heartbeat using a stethoscope connected to the smart phone. The audio signal is converted into the frequency domain using Fast Fourier Transform to detect the first and second heart sounds (S1 and S2). S2 is extracted and fed into the Discrete Wavelet Transform (DWT) and then to Continuous Wavelet Transform (CWT) to detect the Aortic (A2) and the Pulmonic (P2) components, which are used to calculate the split in S2. With our application, users can continuously monitor their second heart sound irrespective of ages and check for a split in their hearts with a low-cost, easily available equipment.

Fortran programs for the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap

NASA Astrophysics Data System (ADS)

Muruganandam, P.; Adhikari, S. K.

2009-10-01

Here we develop simple numerical algorithms for both stationary and non-stationary solutions of the time-dependent Gross-Pitaevskii (GP) equation describing the properties of Bose-Einstein condensates at ultra low temperatures. In particular, we consider algorithms involving real- and imaginary-time propagation based on a split-step Crank-Nicolson method. In a one-space-variable form of the GP equation we consider the one-dimensional, two-dimensional circularly-symmetric, and the three-dimensional spherically-symmetric harmonic-oscillator traps. In the two-space-variable form we consider the GP equation in two-dimensional anisotropic and three-dimensional axially-symmetric traps. The fully-anisotropic three-dimensional GP equation is also considered. Numerical results for the chemical potential and root-mean-square size of stationary states are reported using imaginary-time propagation programs for all the cases and compared with previously obtained results. Also presented are numerical results of non-stationary oscillation for different trap symmetries using real-time propagation programs. A set of convenient working codes developed in Fortran 77 are also provided for all these cases (twelve programs in all). In the case of two or three space variables, Fortran 90/95 versions provide some simplification over the Fortran 77 programs, and these programs are also included (six programs in all). Program summaryProgram title: (i) imagetime1d, (ii) imagetime2d, (iii) imagetime3d, (iv) imagetimecir, (v) imagetimesph, (vi) imagetimeaxial, (vii) realtime1d, (viii) realtime2d, (ix) realtime3d, (x) realtimecir, (xi) realtimesph, (xii) realtimeaxial Catalogue identifier: AEDU_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDU_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 122 907 No. of bytes in distributed program, including test data, etc.: 609 662 Distribution format: tar.gz Programming language: FORTRAN 77 and Fortran 90/95 Computer: PC Operating system: Linux, Unix RAM: 1 GByte (i, iv, v), 2 GByte (ii, vi, vii, x, xi), 4 GByte (iii, viii, xii), 8 GByte (ix) Classification: 2.9, 4.3, 4.12 Nature of problem: These programs are designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in one-, two- or three-space dimensions with a harmonic, circularly-symmetric, spherically-symmetric, axially-symmetric or anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Solution method: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation, in either imaginary or real time, over small time steps. The method yields the solution of stationary and/or non-stationary problems. Additional comments: This package consists of 12 programs, see "Program title", above. FORTRAN77 versions are provided for each of the 12 and, in addition, Fortran 90/95 versions are included for ii, iii, vi, viii, ix, xii. For the particular purpose of each program please see the below. Running time: Minutes on a medium PC (i, iv, v, vii, x, xi), a few hours on a medium PC (ii, vi, viii, xii), days on a medium PC (iii, ix). Program summary (1)Title of program: imagtime1d.F Title of electronic file: imagtime1d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 1 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in one-space dimension with a harmonic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (2)Title of program: imagtimecir.F Title of electronic file: imagtimecir.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 1 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with a circularly-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (3)Title of program: imagtimesph.F Title of electronic file: imagtimesph.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 1 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with a spherically-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (4)Title of program: realtime1d.F Title of electronic file: realtime1d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in one-space dimension with a harmonic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (5)Title of program: realtimecir.F Title of electronic file: realtimecir.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with a circularly-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (6)Title of program: realtimesph.F Title of electronic file: realtimesph.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 Typical running time: Minutes on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with a spherically-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (7)Title of programs: imagtimeaxial.F and imagtimeaxial.f90 Title of electronic file: imagtimeaxial.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Few hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an axially-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (8)Title of program: imagtime2d.F and imagtime2d.f90 Title of electronic file: imagtime2d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 2 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Few hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (9)Title of program: realtimeaxial.F and realtimeaxial.f90 Title of electronic file: realtimeaxial.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 4 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time Hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an axially-symmetric trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (10)Title of program: realtime2d.F and realtime2d.f90 Title of electronic file: realtime2d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 4 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Hours on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in two-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems. Program summary (11)Title of program: imagtime3d.F and imagtime3d.f90 Title of electronic file: imagtime3d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum RAM memory: 4 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Few days on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in imaginary time over small time steps. The method yields the solution of stationary problems. Program summary (12)Title of program: realtime3d.F and realtime3d.f90 Title of electronic file: realtime3d.tar.gz Catalogue identifier: Program summary URL: Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Distribution format: tar.gz Computers: PC/Linux, workstation/UNIX Maximum Ram Memory: 8 GByte Programming language used: Fortran 77 and Fortran 90 Typical running time: Days on a medium PC Unusual features: None Nature of physical problem: This program is designed to solve the time-dependent Gross-Pitaevskii nonlinear partial differential equation in three-space dimensions with an anisotropic trap. The Gross-Pitaevskii equation describes the properties of a dilute trapped Bose-Einstein condensate. Method of solution: The time-dependent Gross-Pitaevskii equation is solved by the split-step Crank-Nicolson method by discretizing in space and time. The discretized equation is then solved by propagation in real time over small time steps. The method yields the solution of stationary and non-stationary problems.

Issues in measure-preserving three dimensional flow integrators: Self-adjointness, reversibility, and non-uniform time stepping

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

Finn, John M., E-mail: finn@lanl.gov

2015-03-15

Properties of integration schemes for solenoidal fields in three dimensions are studied, with a focus on integrating magnetic field lines in a plasma using adaptive time stepping. It is shown that implicit midpoint (IM) and a scheme we call three-dimensional leapfrog (LF) can do a good job (in the sense of preserving KAM tori) of integrating fields that are reversible, or (for LF) have a “special divergence-free” (SDF) property. We review the notion of a self-adjoint scheme, showing that such schemes are at least second order accurate and can always be formed by composing an arbitrary scheme with its adjoint.more » We also review the concept of reversibility, showing that a reversible but not exactly volume-preserving scheme can lead to a fractal invariant measure in a chaotic region, although this property may not often be observable. We also show numerical results indicating that the IM and LF schemes can fail to preserve KAM tori when the reversibility property (and the SDF property for LF) of the field is broken. We discuss extensions to measure preserving flows, the integration of magnetic field lines in a plasma and the integration of rays for several plasma waves. The main new result of this paper relates to non-uniform time stepping for volume-preserving flows. We investigate two potential schemes, both based on the general method of Feng and Shang [Numer. Math. 71, 451 (1995)], in which the flow is integrated in split time steps, each Hamiltonian in two dimensions. The first scheme is an extension of the method of extended phase space, a well-proven method of symplectic integration with non-uniform time steps. This method is found not to work, and an explanation is given. The second method investigated is a method based on transformation to canonical variables for the two split-step Hamiltonian systems. This method, which is related to the method of non-canonical generating functions of Richardson and Finn [Plasma Phys. Controlled Fusion 54, 014004 (2012)], appears to work very well.« less

Formulation of an explicit-multiple-time-step time integration method for use in a global primitive equation grid model

NASA Technical Reports Server (NTRS)

Chao, W. C.

1982-01-01

With appropriate modifications, a recently proposed explicit-multiple-time-step scheme (EMTSS) is incorporated into the UCLA model. In this scheme, the linearized terms in the governing equations that generate the gravity waves are split into different vertical modes. Each mode is integrated with an optimal time step, and at periodic intervals these modes are recombined. The other terms are integrated with a time step dictated by the CFL condition for low-frequency waves. This large time step requires a special modification of the advective terms in the polar region to maintain stability. Test runs for 72 h show that EMTSS is a stable, efficient and accurate scheme.

Dynamic Circuitry for Updating Spatial Representations: III. From Neurons to Behavior

PubMed Central

Berman, Rebecca A.; Heiser, Laura M.; Dunn, Catherine A.; Saunders, Richard C.; Colby, Carol L.

2008-01-01

Each time the eyes move, the visual system must adjust internal representations to account for the accompanying shift in the retinal image. In the lateral intraparietal cortex (LIP), neurons update the spatial representations of salient stimuli when the eyes move. In previous experiments, we found that split-brain monkeys were impaired on double-step saccade sequences that required updating across visual hemifields, as compared to within hemifield (Berman et al. 2005; Heiser et al. 2005). Here we describe a subsequent experiment to characterize the relationship between behavioral performance and neural activity in LIP in the split-brain monkey. We recorded from single LIP neurons while split-brain and intact monkeys performed two conditions of the double-step saccade task: one required across-hemifield updating and the other within-hemifield updating. We found that, despite extensive experience with the task, the split-brain monkeys were significantly more accurate for within-hemifield as compared to across-hemifield sequences. In parallel, we found that population activity in LIP of the split-brain monkeys was significantly stronger for within-hemifield as compared to across-hemifield conditions of the double-step task. In contrast, in the normal monkey, both the average behavioral performance and population activity showed no bias toward the within-hemifield condition. Finally, we found that the difference between within-hemifield and across-hemifield performance in the split-brain monkeys was reflected at the level of single neuron activity in LIP. These findings indicate that remapping activity in area LIP is present in the split-brain monkey for the double-step task and co-varies with spatial behavior on within-hemifield compared to across-hemifield sequences. PMID:17493922

Computer-assisted techniques to evaluate fringe patterns

NASA Astrophysics Data System (ADS)

Sciammarella, Cesar A.; Bhat, Gopalakrishna K.

1992-01-01

Strain measurement using interferometry requires an efficient way to extract the desired information from interferometric fringes. Availability of digital image processing systems makes it possible to use digital techniques for the analysis of fringes. In the past, there have been several developments in the area of one dimensional and two dimensional fringe analysis techniques, including the carrier fringe method (spatial heterodyning) and the phase stepping (quasi-heterodyning) technique. This paper presents some new developments in the area of two dimensional fringe analysis, including a phase stepping technique supplemented by the carrier fringe method and a two dimensional Fourier transform method to obtain the strain directly from the discontinuous phase contour map.

Computed inverse MRI for magnetic susceptibility map reconstruction

PubMed Central

Chen, Zikuan; Calhoun, Vince

2015-01-01

Objective This paper reports on a computed inverse magnetic resonance imaging (CIMRI) model for reconstructing the magnetic susceptibility source from MRI data using a two-step computational approach. Methods The forward T2*-weighted MRI (T2*MRI) process is decomposed into two steps: 1) from magnetic susceptibility source to fieldmap establishment via magnetization in a main field, and 2) from fieldmap to MR image formation by intravoxel dephasing average. The proposed CIMRI model includes two inverse steps to reverse the T2*MRI procedure: fieldmap calculation from MR phase image and susceptibility source calculation from the fieldmap. The inverse step from fieldmap to susceptibility map is a 3D ill-posed deconvolution problem, which can be solved by three kinds of approaches: Tikhonov-regularized matrix inverse, inverse filtering with a truncated filter, and total variation (TV) iteration. By numerical simulation, we validate the CIMRI model by comparing the reconstructed susceptibility maps for a predefined susceptibility source. Results Numerical simulations of CIMRI show that the split Bregman TV iteration solver can reconstruct the susceptibility map from a MR phase image with high fidelity (spatial correlation≈0.99). The split Bregman TV iteration solver includes noise reduction, edge preservation, and image energy conservation. For applications to brain susceptibility reconstruction, it is important to calibrate the TV iteration program by selecting suitable values of the regularization parameter. Conclusions The proposed CIMRI model can reconstruct the magnetic susceptibility source of T2*MRI by two computational steps: calculating the fieldmap from the phase image and reconstructing the susceptibility map from the fieldmap. The crux of CIMRI lies in an ill-posed 3D deconvolution problem, which can be effectively solved by the split Bregman TV iteration algorithm. PMID:22446372

Comparison of different phase retrieval algorithms

NASA Astrophysics Data System (ADS)

Kaufmann, Rolf; Plamondon, Mathieu; Hofmann, Jürgen; Neels, Antonia

2017-09-01

X-ray phase contrast imaging is attracting more and more interest. Since the phase cannot be measured directly an indirect method using e.g. a grating interferometer has to be applied. This contribution compares three different approaches to calculate the phase from Talbot-Lau interferometer measurements using a phase-stepping approach. Besides the usually applied Fourier coefficient method also a linear fitting technique and Taylor series expansion method are applied and compared.

Spatial and Temporal Control Contribute to Step Length Asymmetry during Split-Belt Adaptation and Hemiparetic Gait

PubMed Central

Finley, James M.; Long, Andrew; Bastian, Amy J.; Torres-Oviedo, Gelsy

2014-01-01

Background Step length asymmetry (SLA) is a common hallmark of gait post-stroke. Though conventionally viewed as a spatial deficit, SLA can result from differences in where the feet are placed relative to the body (spatial strategy), the timing between foot-strikes (step time strategy), or the velocity of the body relative to the feet (step velocity strategy). Objective The goal of this study was to characterize the relative contributions of each of these strategies to SLA. Methods We developed an analytical model that parses SLA into independent step position, step time, and step velocity contributions. This model was validated by reproducing SLA values for twenty-five healthy participants when their natural symmetric gait was perturbed on a split-belt treadmill moving at either a 2:1 or 3:1 belt-speed ratio. We then applied the validated model to quantify step position, step time, and step velocity contributions to SLA in fifteen stroke survivors while walking at their self-selected speed. Results SLA was predicted precisely by summing the derived contributions, regardless of the belt-speed ratio. Although the contributions to SLA varied considerably across our sample of stroke survivors, the step position contribution tended to oppose the other two – possibly as an attempt to minimize the overall SLA. Conclusions Our results suggest that changes in where the feet are placed or changes in interlimb timing could be used as compensatory strategies to reduce overall SLA in stroke survivors. These results may allow clinicians and researchers to identify patient-specific gait abnormalities and personalize their therapeutic approaches accordingly. PMID:25589580

GEM: a dynamic tracking model for mesoscale eddies in the ocean

NASA Astrophysics Data System (ADS)

Li, Qiu-Yang; Sun, Liang; Lin, Sheng-Fu

2016-12-01

The Genealogical Evolution Model (GEM) presented here is an efficient logical model used to track dynamic evolution of mesoscale eddies in the ocean. It can distinguish between different dynamic processes (e.g., merging and splitting) within a dynamic evolution pattern, which is difficult to accomplish using other tracking methods. To this end, the GEM first uses a two-dimensional (2-D) similarity vector (i.e., a pair of ratios of overlap area between two eddies to the area of each eddy) rather than a scalar to measure the similarity between eddies, which effectively solves the "missing eddy" problem (temporarily lost eddy in tracking). Second, for tracking when an eddy splits, the GEM uses both "parent" (the original eddy) and "child" (eddy split from parent) and the dynamic processes are described as the birth and death of different generations. Additionally, a new look-ahead approach with selection rules effectively simplifies computation and recording. All of the computational steps are linear and do not include iteration. Given the pixel number of the target region L, the maximum number of eddies M, the number N of look-ahead time steps, and the total number of time steps T, the total computer time is O(LM(N + 1)T). The tracking of each eddy is very smooth because we require that the snapshots of each eddy on adjacent days overlap one another. Although eddy splitting or merging is ubiquitous in the ocean, they have different geographic distributions in the North Pacific Ocean. Both the merging and splitting rates of the eddies are high, especially at the western boundary, in currents and in "eddy deserts". The GEM is useful not only for satellite-based observational data, but also for numerical simulation outputs. It is potentially useful for studying dynamic processes in other related fields, e.g., the dynamics of cyclones in meteorology.

First High Resolution Analysis of the ν21 Band of Propane at 921.4 wn: Evidence of Large-Amplitude Tunnelling Effects

NASA Astrophysics Data System (ADS)

Perrin, Agnes; Kwabia Tchana, F.; Flaud, Jean-Marie; Manceron, Laurent; Demaison, Jean; Vogt, Natalja; Groner, Peter; Lafferty, Walter

2015-06-01

A high resolution (0.0015 wn) IR spectrum of propane, C_3H_8, has been recorded with synchrotron radiation at the French light source facility at SOLEIL coupled to a Bruker IFS-125 Fourier transform spectrometer. A preliminary analysis of the ν21 fundamental band (B1, CH3 rock) near 921.4 wn reveals that the rotational energy levels of 211 are split by interactions with the internal rotations of the methyl groups. Conventional analysis of this A-type band yielded band centers at 921.3724(38), 921.3821(33) and 921.3913(44) wn for the AA, EE and AE+EA tunneling splitting components, respectively. These torsional splittings most probably are due to anharmonic and/or Coriolis resonance coupling with nearby highly excited states of both internal rotations of the methyl groups. In addition, several vibrational-rotational resonances were observed that affect the torsional components in different ways. The analysis of the B-type band near 870 wn (ν8, sym. C-C stretch) which also contains split rovibrational transitions due to internal rotation is in progress. It is performed by using the effective rotational Hamiltonian method ERHAM with a code that allows prediction and least-squares fitting of such vibration-rotation spectra. A. Perrin et al., submitted to J. Mol. Spectrosc. P. Groner, J. Chem. Phys. 107 (1997) 4483; J. Mol. Spectrosc. 278 (2012) 52.

Temporal self-splitting of optical pulses

NASA Astrophysics Data System (ADS)

Ding, Chaoliang; Koivurova, Matias; Turunen, Jari; Pan, Liuzhan

2018-05-01

We present mathematical models for temporally and spectrally partially coherent pulse trains with Laguerre-Gaussian and Hermite-Gaussian Schell-model statistics as extensions of the standard Gaussian Schell model for pulse trains. We derive propagation formulas of both classes of pulsed fields in linearly dispersive media and in temporal optical systems. It is found that, in general, both types of fields exhibit time-domain self-splitting upon propagation. The Laguerre-Gaussian model leads to multiply peaked pulses, while the Hermite-Gaussian model leads to doubly peaked pulses, in the temporal far field (in dispersive media) or at the Fourier plane of a temporal system. In both model fields the character of the self-splitting phenomenon depends both on the degree of temporal and spectral coherence and on the power spectrum of the field.

Segmenting overlapping nano-objects in atomic force microscopy image

NASA Astrophysics Data System (ADS)

Wang, Qian; Han, Yuexing; Li, Qing; Wang, Bing; Konagaya, Akihiko

2018-01-01

Recently, techniques for nanoparticles have rapidly been developed for various fields, such as material science, medical, and biology. In particular, methods of image processing have widely been used to automatically analyze nanoparticles. A technique to automatically segment overlapping nanoparticles with image processing and machine learning is proposed. Here, two tasks are necessary: elimination of image noises and action of the overlapping shapes. For the first task, mean square error and the seed fill algorithm are adopted to remove noises and improve the quality of the original image. For the second task, four steps are needed to segment the overlapping nanoparticles. First, possibility split lines are obtained by connecting the high curvature pixels on the contours. Second, the candidate split lines are classified with a machine learning algorithm. Third, the overlapping regions are detected with the method of density-based spatial clustering of applications with noise (DBSCAN). Finally, the best split lines are selected with a constrained minimum value. We give some experimental examples and compare our technique with two other methods. The results can show the effectiveness of the proposed technique.

A robust power spectrum split cancellation-based spectrum sensing method for cognitive radio systems

NASA Astrophysics Data System (ADS)

Qi, Pei-Han; Li, Zan; Si, Jiang-Bo; Gao, Rui

2014-12-01

Spectrum sensing is an essential component to realize the cognitive radio, and the requirement for real-time spectrum sensing in the case of lacking prior information, fading channel, and noise uncertainty, indeed poses a major challenge to the classical spectrum sensing algorithms. Based on the stochastic properties of scalar transformation of power spectral density (PSD), a novel spectrum sensing algorithm, referred to as the power spectral density split cancellation method (PSC), is proposed in this paper. The PSC makes use of a scalar value as a test statistic, which is the ratio of each subband power to the full band power. Besides, by exploiting the asymptotic normality and independence of Fourier transform, the distribution of the ratio and the mathematical expressions for the probabilities of false alarm and detection in different channel models are derived. Further, the exact closed-form expression of decision threshold is calculated in accordance with Neyman—Pearson criterion. Analytical and simulation results show that the PSC is invulnerable to noise uncertainty, and can achive excellent detection performance without prior knowledge in additive white Gaussian noise and flat slow fading channels. In addition, the PSC benefits from a low computational cost, which can be completed in microseconds.

Life cycle assessment of nuclear-based hydrogen production via thermochemical water splitting using a copper-chlorine (Cu-Cl) cycle

NASA Astrophysics Data System (ADS)

Ozbilen, Ahmet Ziyaettin

The energy carrier hydrogen is expected to solve some energy challenges. Since its oxidation does not emit greenhouse gases (GHGs), its use does not contribute to climate change, provided that it is derived from clean energy sources. Thermochemical water splitting using a Cu-Cl cycle, linked with a nuclear super-critical water cooled reactor (SCWR), which is being considered as a Generation IV nuclear reactor, is a promising option for hydrogen production. In this thesis, a comparative environmental study is reported of the three-, four- and five-step Cu-Cl thermochemical water splitting cycles with various other hydrogen production methods. The investigation uses life cycle assessment (LCA), which is an analytical tool to identify and quantify environmentally critical phases during the life cycle of a system or a product and/or to evaluate and decrease the overall environmental impact of the system or product. The LCA results for the hydrogen production processes indicate that the four-step Cu-Cl cycle has lower environmental impacts than the three- and five-step Cu-Cl cycles due to its lower thermal energy requirement. Parametric studies show that acidification potentials (APs) and global warming potentials (GWPs) for the four-step Cu-Cl cycle can be reduced from 0.0031 to 0.0028 kg SO2-eq and from 0.63 to 0.55 kg CO2-eq, respectively, if the lifetime of the system increases from 10 to 100 years. Moreover, the comparative study shows that the nuclear-based S-I and the four-step Cu-Cl cycles are the most environmentally benign hydrogen production methods in terms of AP and GWP. GWPs of the S-I and the four-step Cu-Cl cycles are 0.412 and 0.559 kg CO2-eq for reference case which has a lifetime of 60 years. Also, the corresponding APs of these cycles are 0.00241 and 0.00284 kg SO2-eq. It is also found that an increase in hydrogen plant efficiency from 0.36 to 0.65 decreases the GWP from 0.902 to 0.412 kg CO 2-eq and the AP from 0.00459 to 0.00209 kg SO2-eq for the four-step Cu-Cl cycle. Keywords: Hydrogen production, nuclear energy, Cu-Cl cycle, environmental impact, LCA.

Null test fourier domain alignment technique for phase-shifting point diffraction interferometer

DOEpatents

Naulleau, Patrick; Goldberg, Kenneth Alan

2000-01-01

Alignment technique for calibrating a phase-shifting point diffraction interferometer involves three independent steps where the first two steps independently align the image points and pinholes in rotation and separation to a fixed reference coordinate system, e.g, CCD. Once the two sub-elements have been properly aligned to the reference in two parameters (separation and orientation), the third step is to align the two sub-element coordinate systems to each other in the two remaining parameters (x,y) using standard methods of locating the pinholes relative to some easy to find reference point.

Polarizability tensor retrieval for magnetic and plasmonic antenna design

NASA Astrophysics Data System (ADS)

Bernal Arango, Felipe; Femius Koenderink, A.

2013-07-01

A key quantity in the design of plasmonic antennas and metasurfaces, as well as metamaterials, is the electrodynamic polarizability of a single scattering building block. In particular, in the current merging of plasmonics and metamaterials, subwavelength scatterers are judged by their ability to present a large, generally anisotropic electric and magnetic polarizability, as well as a bi-anisotropic magnetoelectric polarizability. This bi-anisotropic response, whereby a magnetic dipole is induced through electric driving, and vice versa, is strongly linked to the optical activity and chiral response of plasmonic metamolecules. We present two distinct methods to retrieve the polarizibility tensor from electrodynamic simulations. As a basis for both, we use the surface integral equation (SIE) method to solve for the scattering response of arbitrary objects exactly. In the first retrieval method, we project scattered fields onto vector spherical harmonics with the aid of an exact discrete spherical harmonic Fourier transform on the unit sphere. In the second, we take the effective current distributions generated by SIE as a basis to calculate dipole moments. We verify that the first approach holds for scatterers of any size, while the second is only approximately correct for small scatterers. We present benchmark calculations, revisiting the zero-forward scattering paradox of Kerker et al (1983 J. Opt. Soc. Am. 73 765-7) and Alù and Engheta (2010 J. Nanophoton. 4 041590), relevant in dielectric scattering cancelation and sensor cloaking designs. Finally, we report the polarizability tensor of split rings, and show that split rings will strongly influence the emission of dipolar single emitters. In the context of plasmon-enhanced emission, split rings can imbue their large magnetic dipole moment on the emission of simple electric dipole emitters. We present a split ring antenna array design that is capable of converting the emission of a single linear dipole emitter in forward and backward beams of directional emission of opposite handedness. This design can, for instance, find application in the spin angular momentum encoding of quantum information.

FRACTURE-RESISTANT MONOLITHIC DENTAL CROWNS

PubMed Central

Zhang, Yu; Mai, Zhisong; Barani, Amir; Bush, Mark; Lawn, Brian

2016-01-01

Objective To quantify the splitting resistance of monolithic zirconia, lithium disilicate and nanoparticle-composite dental crowns. Methods Fracture experiments were conducted on anatomically-correct monolithic crown structures cemented to standard dental composite dies, by axial loading of a hard sphere placed between the cusps. The structures were observed in situ during fracture testing, and critical loads to split the structures were measured. Extended finite element modeling (XFEM), with provision for step-by-step extension of embedded cracks, was employed to simulate full failure evolution. Results Experimental measurements and XFEM predictions were self consistent within data scatter. In conjunction with a fracture mechanics equation for critical splitting load, the data were used to predict load-sustaining capacity for crowns on actual dentin substrates and for loading with a sphere of different size. Stages of crack propagation within the crown and support substrate were quantified. Zirconia crowns showed the highest fracture loads, lithium disilicate intermediate, and dental nanocomposite lowest. Dental nanocomposite crowns have comparable fracture resistance to natural enamel. Significance The results confirm that monolithic crowns are able to sustain high bite forces. The analysis indicates what material and geometrical properties are important in optimizing crown performance and longevity. PMID:26792623

An efficient mode-splitting method for a curvilinear nearshore circulation model

USGS Publications Warehouse

Shi, Fengyan; Kirby, James T.; Hanes, Daniel M.

2007-01-01

A mode-splitting method is applied to the quasi-3D nearshore circulation equations in generalized curvilinear coordinates. The gravity wave mode and the vorticity wave mode of the equations are derived using the two-step projection method. Using an implicit algorithm for the gravity mode and an explicit algorithm for the vorticity mode, we combine the two modes to derive a mixed difference–differential equation with respect to surface elevation. McKee et al.'s [McKee, S., Wall, D.P., and Wilson, S.K., 1996. An alternating direction implicit scheme for parabolic equations with mixed derivative and convective terms. J. Comput. Phys., 126, 64–76.] ADI scheme is then used to solve the parabolic-type equation in dealing with the mixed derivative and convective terms from the curvilinear coordinate transformation. Good convergence rates are found in two typical cases which represent respectively the motions dominated by the gravity mode and the vorticity mode. Time step limitations imposed by the vorticity convective Courant number in vorticity-mode-dominant cases are discussed. Model efficiency and accuracy are verified in model application to tidal current simulations in San Francisco Bight.

Comparison of intervention effects in split-mouth and parallel-arm randomized controlled trials: a meta-epidemiological study

PubMed Central

2014-01-01

Background Split-mouth randomized controlled trials (RCTs) are popular in oral health research. Meta-analyses frequently include trials of both split-mouth and parallel-arm designs to derive combined intervention effects. However, carry-over effects may induce bias in split- mouth RCTs. We aimed to assess whether intervention effect estimates differ between split- mouth and parallel-arm RCTs investigating the same questions. Methods We performed a meta-epidemiological study. We systematically reviewed meta- analyses including both split-mouth and parallel-arm RCTs with binary or continuous outcomes published up to February 2013. Two independent authors selected studies and extracted data. We used a two-step approach to quantify the differences between split-mouth and parallel-arm RCTs: for each meta-analysis. First, we derived ratios of odds ratios (ROR) for dichotomous data and differences in standardized mean differences (∆SMD) for continuous data; second, we pooled RORs or ∆SMDs across meta-analyses by random-effects meta-analysis models. Results We selected 18 systematic reviews, for 15 meta-analyses with binary outcomes (28 split-mouth and 28 parallel-arm RCTs) and 19 meta-analyses with continuous outcomes (28 split-mouth and 28 parallel-arm RCTs). Effect estimates did not differ between split-mouth and parallel-arm RCTs (mean ROR, 0.96, 95% confidence interval 0.52–1.80; mean ∆SMD, 0.08, -0.14–0.30). Conclusions Our study did not provide sufficient evidence for a difference in intervention effect estimates derived from split-mouth and parallel-arm RCTs. Authors should consider including split-mouth RCTs in their meta-analyses with suitable and appropriate analysis. PMID:24886043

System calibration method for Fourier ptychographic microscopy

NASA Astrophysics Data System (ADS)

Pan, An; Zhang, Yan; Zhao, Tianyu; Wang, Zhaojun; Dan, Dan; Lei, Ming; Yao, Baoli

2017-09-01

Fourier ptychographic microscopy (FPM) is a recently proposed computational imaging technique with both high-resolution and wide field of view. In current FPM imaging platforms, systematic error sources come from aberrations, light-emitting diode (LED) intensity fluctuation, parameter imperfections, and noise, all of which may severely corrupt the reconstruction results with similar artifacts. Therefore, it would be unlikely to distinguish the dominating error from these degraded reconstructions without any preknowledge. In addition, systematic error is generally a mixture of various error sources in the real situation, and it cannot be separated due to their mutual restriction and conversion. To this end, we report a system calibration procedure, termed SC-FPM, to calibrate the mixed systematic errors simultaneously from an overall perspective, based on the simulated annealing algorithm, the LED intensity correction method, the nonlinear regression process, and the adaptive step-size strategy, which involves the evaluation of an error metric at each iteration step, followed by the re-estimation of accurate parameters. The performance achieved both in simulations and experiments demonstrates that the proposed method outperforms other state-of-the-art algorithms. The reported system calibration scheme improves the robustness of FPM, relaxes the experiment conditions, and does not require any preknowledge, which makes the FPM more pragmatic.

Enhancement of lung sounds based on empirical mode decomposition and Fourier transform algorithm.

PubMed

Mondal, Ashok; Banerjee, Poulami; Somkuwar, Ajay

2017-02-01

There is always heart sound (HS) signal interfering during the recording of lung sound (LS) signals. This obscures the features of LS signals and creates confusion on pathological states, if any, of the lungs. In this work, a new method is proposed for reduction of heart sound interference which is based on empirical mode decomposition (EMD) technique and prediction algorithm. In this approach, first the mixed signal is split into several components in terms of intrinsic mode functions (IMFs). Thereafter, HS-included segments are localized and removed from them. The missing values of the gap thus produced, is predicted by a new Fast Fourier Transform (FFT) based prediction algorithm and the time domain LS signal is reconstructed by taking an inverse FFT of the estimated missing values. The experiments have been conducted on simulated and recorded HS corrupted LS signals at three different flow rates and various SNR levels. The performance of the proposed method is evaluated by qualitative and quantitative analysis of the results. It is found that the proposed method is superior to the baseline method in terms of quantitative and qualitative measurement. The developed method gives better results compared to baseline method for different SNR levels. Our method gives cross correlation index (CCI) of 0.9488, signal to deviation ratio (SDR) of 9.8262, and normalized maximum amplitude error (NMAE) of 26.94 for 0 dB SNR value. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Copper Oxide Nanograss for Efficient and Stable Photoelectrochemical Hydrogen Production by Water Splitting

NASA Astrophysics Data System (ADS)

Borkar, Rajnikant; Dahake, Rashmi; Rayalu, Sadhana; Bansiwal, Amit

2018-03-01

A biphasic copper oxide thin film of grass-like appendage morphology is synthesized by two-step electro-deposition method and later investigated for photoelectrochemical (PEC) water splitting for hydrogen production. Further, the thin film was characterized by UV-Visible spectroscopy, x-ray diffraction (XRD), Scanning electron microscopy (SEM) and PEC techniques. The XRD analysis confirms formation of biphasic copper oxide phases, and SEM reveals high surface area grass appendage-like morphology. These grass appendage structures exhibit a high cathodic photocurrent of - 1.44 mAcm-2 at an applied bias of - 0.7 (versus Ag/AgCl) resulting in incident to photon current efficiency (IPCE) of ˜ 10% at 400 nm. The improved light harvesting and charge transport properties of grass appendage structured biphasic copper oxides makes it a potential candidate for PEC water splitting for hydrogen production.

"Split Cast Mounting: Review and New Technique".

PubMed

Gundawar, S M; Pande, Neelam A; Jaiswal, Priti; Radke, U M

2014-12-01

For the fabrication of a prosthesis, the Prosthodontist meticulously performs all the steps. The laboratory technician then make every effort/strives to perform the remaining lab procedures. However when the processed dentures are remounted on the articulator, some changes are seen. These changes may be divided into two categories: Pre-insertion and post-insertion changes, which deal with the physical properties of the materials involved (Parker, J Prosthet Dent 31:335-342, 1974). Split cast mounting is the method of mounting casts on the articulator. It is essentially a maxillary cast constructed in two parts with a horizontal division. The procedure allows for the verification of the accuracy of the initial mounting and the ease of removal and replacement of the cast. This provides a precise means of correcting the changes in occlusion occurring as a result of the processing technique (Nogueira et al., J Prosthet Dent 91:386-388, 2004). Instability of the split mounting has always been a problem to the Prosthodontist thereby limiting its use. There are various materials mentioned in the literature. The new technique by using Dowel pins and twill thread is very easy, cheaper and simple way to stabilize the split mounting. It is useful and easy in day to day laboratory procedures. The article presents different methods of split cast mounting and the new procedure using easily available materials in prosthetic laboratory.

Blind third-order dispersion estimation based on fractional Fourier transformation for coherent optical communication

NASA Astrophysics Data System (ADS)

Yang, Lin; Guo, Peng; Yang, Aiying; Qiao, Yaojun

2018-02-01

In this paper, we propose a blind third-order dispersion estimation method based on fractional Fourier transformation (FrFT) in optical fiber communication system. By measuring the chromatic dispersion (CD) at different wavelengths, this method can estimation dispersion slope and further calculate the third-order dispersion. The simulation results demonstrate that the estimation error is less than 2 % in 28GBaud dual polarization quadrature phase-shift keying (DP-QPSK) and 28GBaud dual polarization 16 quadrature amplitude modulation (DP-16QAM) system. Through simulations, the proposed third-order dispersion estimation method is shown to be robust against nonlinear and amplified spontaneous emission (ASE) noise. In addition, to reduce the computational complexity, searching step with coarse and fine granularity is chosen to search optimal order of FrFT. The third-order dispersion estimation method based on FrFT can be used to monitor the third-order dispersion in optical fiber system.

A cascade method for TFT-LCD defect detection

NASA Astrophysics Data System (ADS)

Yi, Songsong; Wu, Xiaojun; Yu, Zhiyang; Mo, Zhuoya

2017-07-01

In this paper, we propose a novel cascade detection algorithm which focuses on point and line defects on TFT-LCD. At the first step of the algorithm, we use the gray level difference of su-bimage to segment the abnormal area. The second step is based on phase only transform (POT) which corresponds to the Discrete Fourier Transform (DFT), normalized by the magnitude. It can remove regularities like texture and noise. After that, we improve the method of setting regions of interest (ROI) with the method of edge segmentation and polar transformation. The algorithm has outstanding performance in both computation speed and accuracy. It can solve most of the defect detections including dark point, light point, dark line, etc.

Analysis of Time Filters in Multistep Methods

NASA Astrophysics Data System (ADS)

Hurl, Nicholas

Geophysical ow simulations have evolved sophisticated implicit-explicit time stepping methods (based on fast-slow wave splittings) followed by time filters to control any unstable models that result. Time filters are modular and parallel. Their effect on stability of the overall process has been tested in numerous simulations, but never analyzed. Stability is proven herein for the Crank-Nicolson Leapfrog (CNLF) method with the Robert-Asselin (RA) time filter and for the Crank-Nicolson Leapfrog method with the Robert-Asselin-Williams (RAW) time filter for systems by energy methods. We derive an equivalent multistep method for CNLF+RA and CNLF+RAW and stability regions are obtained. The time step restriction for energy stability of CNLF+RA is smaller than CNLF and CNLF+RAW time step restriction is even smaller. Numerical tests find that RA and RAW add numerical dissipation. This thesis also shows that all modes of the Crank-Nicolson Leap Frog (CNLF) method are asymptotically stable under the standard timestep condition.

Direct reconstruction of pharmacokinetic parameters in dynamic fluorescence molecular tomography by the augmented Lagrangian method

NASA Astrophysics Data System (ADS)

Zhu, Dianwen; Zhang, Wei; Zhao, Yue; Li, Changqing

2016-03-01

Dynamic fluorescence molecular tomography (FMT) has the potential to quantify physiological or biochemical information, known as pharmacokinetic parameters, which are important for cancer detection, drug development and delivery etc. To image those parameters, there are indirect methods, which are easier to implement but tend to provide images with low signal-to-noise ratio, and direct methods, which model all the measurement noises together and are statistically more efficient. The direct reconstruction methods in dynamic FMT have attracted a lot of attention recently. However, the coupling of tomographic image reconstruction and nonlinearity of kinetic parameter estimation due to the compartment modeling has imposed a huge computational burden to the direct reconstruction of the kinetic parameters. In this paper, we propose to take advantage of both the direct and indirect reconstruction ideas through a variable splitting strategy under the augmented Lagrangian framework. Each iteration of the direct reconstruction is split into two steps: the dynamic FMT image reconstruction and the node-wise nonlinear least squares fitting of the pharmacokinetic parameter images. Through numerical simulation studies, we have found that the proposed algorithm can achieve good reconstruction results within a small amount of time. This will be the first step for a combined dynamic PET and FMT imaging in the future.

Combining Fourier and lagged k-nearest neighbor imputation for biomedical time series data.

PubMed

Rahman, Shah Atiqur; Huang, Yuxiao; Claassen, Jan; Heintzman, Nathaniel; Kleinberg, Samantha

2015-12-01

Most clinical and biomedical data contain missing values. A patient's record may be split across multiple institutions, devices may fail, and sensors may not be worn at all times. While these missing values are often ignored, this can lead to bias and error when the data are mined. Further, the data are not simply missing at random. Instead the measurement of a variable such as blood glucose may depend on its prior values as well as that of other variables. These dependencies exist across time as well, but current methods have yet to incorporate these temporal relationships as well as multiple types of missingness. To address this, we propose an imputation method (FLk-NN) that incorporates time lagged correlations both within and across variables by combining two imputation methods, based on an extension to k-NN and the Fourier transform. This enables imputation of missing values even when all data at a time point is missing and when there are different types of missingness both within and across variables. In comparison to other approaches on three biological datasets (simulated and actual Type 1 diabetes datasets, and multi-modality neurological ICU monitoring) the proposed method has the highest imputation accuracy. This was true for up to half the data being missing and when consecutive missing values are a significant fraction of the overall time series length. Copyright © 2015 Elsevier Inc. All rights reserved.

Hyperfine structure measurements of neutral iodine atom (127I) using Fourier Transform Spectrometry

NASA Astrophysics Data System (ADS)

Ashok, Chilukoti; Vishwakarma, S. R.; Bhatt, Himal; Ankush, B. K.; Deo, M. N.

2018-01-01

We report the hyperfine Structure (hfs) splitting observations of neutral iodine atom (II) in the 6000 - 10,000 cm-1 near infrared spectral region. The measurements were carried out using a high-resolution Fourier Transform Spectrometer (FTS), where an electrodeless discharge lamp (EDL), excited using microwaves, was employed as the light source and InGaAs as the light detector. A specially designed setup was used to lower the plasma temperature of the medium so as to reduce the Doppler width and consequently to increase the spectral resolution of hfs components. A total of 183 lines with hfs splitting have been observed, out of which hfs in 53 spectral lines are reported for the first time. On the basis of hfs analysis, we derived the magnetic dipole and electric quadrupole coupling constants, A and B respectively for 30 even and 30 odd energy levels and are compared with the values available in the literature. New hfs values for 5 even and 4 odd levels are also reported here for the first time.

Development of Michelson interferometer based spatial phase-shift digital shearography

NASA Astrophysics Data System (ADS)

Xie, Xin

Digital shearography is a non-contact, full field, optical measurement method, which has the capability of directly measuring the gradient of deformation. For high measurement sensitivity, phase evaluation method has to be introduced into digital shearography by phase-shift technique. Catalog by phase-shift method, digital phase-shift shearography can be divided into Temporal Phase-Shift Digital Shearography (TPS-DS) and Spatial Phase-Shift Digital Shearography (SPS-DS). TPS-DS is the most widely used phase-shift shearography system, due to its simple algorithm, easy operation and good phase-map quality. However, the application of TPS-DS is only limited in static/step-by-step loading measurement situation, due to its multi-step shifting process. In order to measure the strain under dynamic/continuous loading situation, a SPS-DS system has to be developed. This dissertation aims to develop a series of Michelson Interferometer based SPS-DS measurement methods to achieve the strain measurement by using only a single pair of speckle pattern images. The Michelson Interferometer based SPS-DS systems utilize special designed optical setup to introduce extra carrier frequency into the laser wavefront. The phase information corresponds to the strain field can be separated on the Fourier domain using a Fourier Transform and can further be evaluated with a Windowed Inverse Fourier Transform. With different optical setups and carrier frequency arrangements, the Michelson Interferometer based SPS-DS method is capable to achieve a variety of measurement tasks using only single pair of speckle pattern images. Catalog by the aimed measurand, these capable measurement tasks can be divided into five categories: 1) measurement of out-of-plane strain field with small shearing amount; 2) measurement of relative out-of-plane deformation field with big shearing amount; 3) simultaneous measurement of relative out-of-plane deformation field and deformation gradient field by using multiple carrier frequencies; 4) simultaneous measurement of two directional strain field using dual measurement channels 5) measurement of pure in-plane strain and pure out-of-plane strain with multiple carrier frequencies. The basic theory, optical path analysis, preliminary studies, results analysis and research plan are shown in detail in this dissertation.

A new hybrid double divisor ratio spectra method for the analysis of ternary mixtures

NASA Astrophysics Data System (ADS)

Youssef, Rasha M.; Maher, Hadir M.

2008-10-01

A new spectrophotometric method was developed for the simultaneous determination of ternary mixtures, without prior separation steps. This method is based on convolution of the double divisor ratio spectra, obtained by dividing the absorption spectrum of the ternary mixture by a standard spectrum of two of the three compounds in the mixture, using combined trigonometric Fourier functions. The magnitude of the Fourier function coefficients, at either maximum or minimum points, is related to the concentration of each drug in the mixture. The mathematical explanation of the procedure is illustrated. The method was applied for the assay of a model mixture consisting of isoniazid (ISN), rifampicin (RIF) and pyrazinamide (PYZ) in synthetic mixtures, commercial tablets and human urine samples. The developed method was compared with the double divisor ratio spectra derivative method (DDRD) and derivative ratio spectra-zero-crossing method (DRSZ). Linearity, validation, accuracy, precision, limits of detection, limits of quantitation, and other aspects of analytical validation are included in the text.

Spin-split silicon states at step edges of Si(553)-Au

NASA Astrophysics Data System (ADS)

Biedermann, K.; Regensburger, S.; Fauster, Th.; Himpsel, F. J.; Erwin, S. C.

2012-06-01

The quasi-one-dimensional Si(553)-Au surface is investigated with time-resolved two-photon photoemission and laser-based photoemission. Several occupied and unoccupied states inside and outside the bulk band gap of silicon were found near the center of the surface Brillouin zone. A nondispersing unoccupied state 0.62 eV above the Fermi level with a lifetime of 125 fs matches the spin-split silicon step-edge state predicted by density functional theory calculations. Two occupied bands can be associated with the bands calculated for nonpolarized step-edge atoms.

Review of finite fields: Applications to discrete Fourier, transforms and Reed-Solomon coding

NASA Technical Reports Server (NTRS)

Wong, J. S. L.; Truong, T. K.; Benjauthrit, B.; Mulhall, B. D. L.; Reed, I. S.

1977-01-01

An attempt is made to provide a step-by-step approach to the subject of finite fields. Rigorous proofs and highly theoretical materials are avoided. The simple concepts of groups, rings, and fields are discussed and developed more or less heuristically. Examples are used liberally to illustrate the meaning of definitions and theories. Applications include discrete Fourier transforms and Reed-Solomon coding.

MO-DE-207A-07: Filtered Iterative Reconstruction (FIR) Via Proximal Forward-Backward Splitting: A Synergy of Analytical and Iterative Reconstruction Method for CT

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

Gao, H

Purpose: This work is to develop a general framework, namely filtered iterative reconstruction (FIR) method, to incorporate analytical reconstruction (AR) method into iterative reconstruction (IR) method, for enhanced CT image quality. Methods: FIR is formulated as a combination of filtered data fidelity and sparsity regularization, and then solved by proximal forward-backward splitting (PFBS) algorithm. As a result, the image reconstruction decouples data fidelity and image regularization with a two-step iterative scheme, during which an AR-projection step updates the filtered data fidelity term, while a denoising solver updates the sparsity regularization term. During the AR-projection step, the image is projected tomore » the data domain to form the data residual, and then reconstructed by certain AR to a residual image which is in turn weighted together with previous image iterate to form next image iterate. Since the eigenvalues of AR-projection operator are close to the unity, PFBS based FIR has a fast convergence. Results: The proposed FIR method is validated in the setting of circular cone-beam CT with AR being FDK and total-variation sparsity regularization, and has improved image quality from both AR and IR. For example, AIR has improved visual assessment and quantitative measurement in terms of both contrast and resolution, and reduced axial and half-fan artifacts. Conclusion: FIR is proposed to incorporate AR into IR, with an efficient image reconstruction algorithm based on PFBS. The CBCT results suggest that FIR synergizes AR and IR with improved image quality and reduced axial and half-fan artifacts. The authors was partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000), and the Shanghai Pujiang Talent Program (#14PJ1404500).« less

COMPARISON OF IMPLICIT SCHEMES TO SOLVE EQUATIONS OF RADIATION HYDRODYNAMICS WITH A FLUX-LIMITED DIFFUSION APPROXIMATION: NEWTON–RAPHSON, OPERATOR SPLITTING, AND LINEARIZATION

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

Tetsu, Hiroyuki; Nakamoto, Taishi, E-mail: h.tetsu@geo.titech.ac.jp

Radiation is an important process of energy transport, a force, and a basis for synthetic observations, so radiation hydrodynamics (RHD) calculations have occupied an important place in astrophysics. However, although the progress in computational technology is remarkable, their high numerical cost is still a persistent problem. In this work, we compare the following schemes used to solve the nonlinear simultaneous equations of an RHD algorithm with the flux-limited diffusion approximation: the Newton–Raphson (NR) method, operator splitting, and linearization (LIN), from the perspective of the computational cost involved. For operator splitting, in addition to the traditional simple operator splitting (SOS) scheme,more » we examined the scheme developed by Douglas and Rachford (DROS). We solve three test problems (the thermal relaxation mode, the relaxation and the propagation of linear waves, and radiating shock) using these schemes and then compare their dependence on the time step size. As a result, we find the conditions of the time step size necessary for adopting each scheme. The LIN scheme is superior to other schemes if the ratio of radiation pressure to gas pressure is sufficiently low. On the other hand, DROS can be the most efficient scheme if the ratio is high. Although the NR scheme can be adopted independently of the regime, especially in a problem that involves optically thin regions, the convergence tends to be worse. In all cases, SOS is not practical.« less

On the possibility of detecting weak magnetic fields in variable white dwarfs

NASA Technical Reports Server (NTRS)

Jones, Philip W.; Hansen, Carl J.; Pesnell, W. Dean; Kawaler, Steven D.

1989-01-01

It is suggested that 'weak' magnetic fields of strengths less than 10 to the 6th G may be detectable in some variable white dwarfs. Weak fields can cause subtle changes in the Fourier power spectra of these stars in the form of 'splitting' in frequency of otherwise degenerate signals. Present-day observational and analysis techniques are capable of detecting these changes. It is suggested suggested, by listing some well-studied candidate stars, that perhaps the magnetic signature of splitting has already been observed in at least one object and that the difficult task of intensive measurements of weak fields should now be undertaken of those candidates.

Mathematical Formulation used by MATLAB Code to Convert FTIR Interferograms to Calibrated Spectra

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

Armstrong, Derek Elswick

This report discusses the mathematical procedures used to convert raw interferograms from Fourier transform infrared (FTIR) sensors to calibrated spectra. The work discussed in this report was completed as part of the Helios project at Los Alamos National Laboratory. MATLAB code was developed to convert the raw interferograms to calibrated spectra. The report summarizes the developed MATLAB scripts and functions, along with a description of the mathematical methods used by the code. The first step in working with raw interferograms is to convert them to uncalibrated spectra by applying an apodization function to the raw data and then by performingmore » a Fourier transform. The developed MATLAB code also addresses phase error correction by applying the Mertz method. This report provides documentation for the MATLAB scripts.« less

Precision spectral manipulation of optical pulses using a coherent photon echo memory.

PubMed

Buchler, B C; Hosseini, M; Hétet, G; Sparkes, B M; Lam, P K

2010-04-01

Photon echo schemes are excellent candidates for high efficiency coherent optical memory. They are capable of high-bandwidth multipulse storage, pulse resequencing and have been shown theoretically to be compatible with quantum information applications. One particular photon echo scheme is the gradient echo memory (GEM). In this system, an atomic frequency gradient is induced in the direction of light propagation leading to a Fourier decomposition of the optical spectrum along the length of the storage medium. This Fourier encoding allows precision spectral manipulation of the stored light. In this Letter, we show frequency shifting, spectral compression, spectral splitting, and fine dispersion control of optical pulses using GEM.

A hybridized discontinuous Galerkin framework for high-order particle-mesh operator splitting of the incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Maljaars, Jakob M.; Labeur, Robert Jan; Möller, Matthias

2018-04-01

A generic particle-mesh method using a hybridized discontinuous Galerkin (HDG) framework is presented and validated for the solution of the incompressible Navier-Stokes equations. Building upon particle-in-cell concepts, the method is formulated in terms of an operator splitting technique in which Lagrangian particles are used to discretize an advection operator, and an Eulerian mesh-based HDG method is employed for the constitutive modeling to account for the inter-particle interactions. Key to the method is the variational framework provided by the HDG method. This allows to formulate the projections between the Lagrangian particle space and the Eulerian finite element space in terms of local (i.e. cellwise) ℓ2-projections efficiently. Furthermore, exploiting the HDG framework for solving the constitutive equations results in velocity fields which excellently approach the incompressibility constraint in a local sense. By advecting the particles through these velocity fields, the particle distribution remains uniform over time, obviating the need for additional quality control. The presented methodology allows for a straightforward extension to arbitrary-order spatial accuracy on general meshes. A range of numerical examples shows that optimal convergence rates are obtained in space and, given the particular time stepping strategy, second-order accuracy is obtained in time. The model capabilities are further demonstrated by presenting results for the flow over a backward facing step and for the flow around a cylinder.

Multi-objective optimization for an automated and simultaneous phase and baseline correction of NMR spectral data

NASA Astrophysics Data System (ADS)

Sawall, Mathias; von Harbou, Erik; Moog, Annekathrin; Behrens, Richard; Schröder, Henning; Simoneau, Joël; Steimers, Ellen; Neymeyr, Klaus

2018-04-01

Spectral data preprocessing is an integral and sometimes inevitable part of chemometric analyses. For Nuclear Magnetic Resonance (NMR) spectra a possible first preprocessing step is a phase correction which is applied to the Fourier transformed free induction decay (FID) signal. This preprocessing step can be followed by a separate baseline correction step. Especially if series of high-resolution spectra are considered, then automated and computationally fast preprocessing routines are desirable. A new method is suggested that applies the phase and the baseline corrections simultaneously in an automated form without manual input, which distinguishes this work from other approaches. The underlying multi-objective optimization or Pareto optimization provides improved results compared to consecutively applied correction steps. The optimization process uses an objective function which applies strong penalty constraints and weaker regularization conditions. The new method includes an approach for the detection of zero baseline regions. The baseline correction uses a modified Whittaker smoother. The functionality of the new method is demonstrated for experimental NMR spectra. The results are verified against gravimetric data. The method is compared to alternative preprocessing tools. Additionally, the simultaneous correction method is compared to a consecutive application of the two correction steps.

Exponential Approximations Using Fourier Series Partial Sums

NASA Technical Reports Server (NTRS)

Banerjee, Nana S.; Geer, James F.

1997-01-01

The problem of accurately reconstructing a piece-wise smooth, 2(pi)-periodic function f and its first few derivatives, given only a truncated Fourier series representation of f, is studied and solved. The reconstruction process is divided into two steps. In the first step, the first 2N + 1 Fourier coefficients of f are used to approximate the locations and magnitudes of the discontinuities in f and its first M derivatives. This is accomplished by first finding initial estimates of these quantities based on certain properties of Gibbs phenomenon, and then refining these estimates by fitting the asymptotic form of the Fourier coefficients to the given coefficients using a least-squares approach. It is conjectured that the locations of the singularities are approximated to within O(N(sup -M-2), and the associated jump of the k(sup th) derivative of f is approximated to within O(N(sup -M-l+k), as N approaches infinity, and the method is robust. These estimates are then used with a class of singular basis functions, which have certain 'built-in' singularities, to construct a new sequence of approximations to f. Each of these new approximations is the sum of a piecewise smooth function and a new Fourier series partial sum. When N is proportional to M, it is shown that these new approximations, and their derivatives, converge exponentially in the maximum norm to f, and its corresponding derivatives, except in the union of a finite number of small open intervals containing the points of singularity of f. The total measure of these intervals decreases exponentially to zero as M approaches infinity. The technique is illustrated with several examples.

Solution of elliptic PDEs by fast Poisson solvers using a local relaxation factor

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung

1986-01-01

A large class of two- and three-dimensional, nonseparable elliptic partial differential equations (PDEs) is presently solved by means of novel one-step (D'Yakanov-Gunn) and two-step (accelerated one-step) iterative procedures, using a local, discrete Fourier analysis. In addition to being easily implemented and applicable to a variety of boundary conditions, these procedures are found to be computationally efficient on the basis of the results of numerical comparison with other established methods, which lack the present one's: (1) insensitivity to grid cell size and aspect ratio, and (2) ease of convergence rate estimation by means of the coefficient of the PDE being solved. The two-step procedure is numerically demonstrated to outperform the one-step procedure in the case of PDEs with variable coefficients.

Purification of crude glycerol from transesterification reaction of palm oil using direct method and multistep method

NASA Astrophysics Data System (ADS)

Nasir, N. F.; Mirus, M. F.; Ismail, M.

2017-09-01

Crude glycerol which produced from transesterification reaction has limited usage if it does not undergo purification process. It also contains excess methanol, catalyst and soap. Conventionally, purification method of the crude glycerol involves high cost and complex processes. This study aimed to determine the effects of using different purification methods which are direct method (comprises of ion exchange and methanol removal steps) and multistep method (comprises of neutralization, filtration, ion exchange and methanol removal steps). Two crude glycerol samples were investigated; the self-produced sample through the transesterification process of palm oil and the sample obtained from biodiesel plant. Samples were analysed using Fourier Transform Infrared Spectroscopy, Gas Chromatography and High Performance Liquid Chromatography. The results of this study for both samples after purification have showed that the pure glycerol was successfully produced and fatty acid salts were eliminated. Also, the results indicated the absence of methanol in both samples after purification process. In short, the combination of 4 purification steps has contributed to a higher quality of glycerol. Multistep purification method gave a better result compared to the direct method as neutralization and filtration steps helped in removing most excess salt, fatty acid and catalyst.

Single-pixel non-imaging object recognition by means of Fourier spectrum acquisition

NASA Astrophysics Data System (ADS)

Chen, Huichao; Shi, Jianhong; Liu, Xialin; Niu, Zhouzhou; Zeng, Guihua

2018-04-01

Single-pixel imaging has emerged over recent years as a novel imaging technique, which has significant application prospects. In this paper, we propose and experimentally demonstrate a scheme that can achieve single-pixel non-imaging object recognition by acquiring the Fourier spectrum. In an experiment, a four-step phase-shifting sinusoid illumination light is used to irradiate the object image, the value of the light intensity is measured with a single-pixel detection unit, and the Fourier coefficients of the object image are obtained by a differential measurement. The Fourier coefficients are first cast into binary numbers to obtain the hash value. We propose a new method of perceptual hashing algorithm, which is combined with a discrete Fourier transform to calculate the hash value. The hash distance is obtained by calculating the difference of the hash value between the object image and the contrast images. By setting an appropriate threshold, the object image can be quickly and accurately recognized. The proposed scheme realizes single-pixel non-imaging perceptual hashing object recognition by using fewer measurements. Our result might open a new path for realizing object recognition with non-imaging.

Multiple-time-stepping generalized hybrid Monte Carlo methods

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

Escribano, Bruno, E-mail: bescribano@bcamath.org; Akhmatskaya, Elena; IKERBASQUE, Basque Foundation for Science, E-48013 Bilbao

2015-01-01

Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [2–4], molecular dynamics and hybrid Monte Carlo, can be further improved by combining it with multi-time-stepping (MTS) and mollification of slow forces. We demonstrate that the comparatively simple modifications of the method not only lead to better performance of GSHMC itself but also allow for beating the best performed methods, which use the similar force splitting schemes. In addition we show that the same ideas can be successfully applied to the conventional generalized hybrid Monte Carlo method (GHMC).more » The resulting methods, MTS-GHMC and MTS-GSHMC, provide accurate reproduction of thermodynamic and dynamical properties, exact temperature control during simulation and computational robustness and efficiency. MTS-GHMC uses a generalized momentum update to achieve weak stochastic stabilization to the molecular dynamics (MD) integrator. MTS-GSHMC adds the use of a shadow (modified) Hamiltonian to filter the MD trajectories in the HMC scheme. We introduce a new shadow Hamiltonian formulation adapted to force-splitting methods. The use of such Hamiltonians improves the acceptance rate of trajectories and has a strong impact on the sampling efficiency of the method. Both methods were implemented in the open-source MD package ProtoMol and were tested on a water and a protein systems. Results were compared to those obtained using a Langevin Molly (LM) method [5] on the same systems. The test results demonstrate the superiority of the new methods over LM in terms of stability, accuracy and sampling efficiency. This suggests that putting the MTS approach in the framework of hybrid Monte Carlo and using the natural stochasticity offered by the generalized hybrid Monte Carlo lead to improving stability of MTS and allow for achieving larger step sizes in the simulation of complex systems.« less

Discrete maximal regularity of time-stepping schemes for fractional evolution equations.

PubMed

Jin, Bangti; Li, Buyang; Zhou, Zhi

2018-01-01

In this work, we establish the maximal [Formula: see text]-regularity for several time stepping schemes for a fractional evolution model, which involves a fractional derivative of order [Formula: see text], [Formula: see text], in time. These schemes include convolution quadratures generated by backward Euler method and second-order backward difference formula, the L1 scheme, explicit Euler method and a fractional variant of the Crank-Nicolson method. The main tools for the analysis include operator-valued Fourier multiplier theorem due to Weis (Math Ann 319:735-758, 2001. doi:10.1007/PL00004457) and its discrete analogue due to Blunck (Stud Math 146:157-176, 2001. doi:10.4064/sm146-2-3). These results generalize the corresponding results for parabolic problems.

Design of a compact static Fourier transform spectrometer in integrated optics based on a leaky loop structure.

PubMed

Martin, Bruno; Morand, Alain; Benech, Pierre; Leblond, Gregory; Blaize, Sylvain; Lerondel, Gilles; Royer, Pascal; Kern, Pierre; Le Coarer, Etienne

2009-01-15

A compact static Fourier transform spectrometer for integrated optics is proposed. It is based on a plane leaky loop structure combined with a plane waveguide. The interference pattern produced in the loop structure leaks outside of it and is guided in the plane waveguide to the photodetector array. This configuration allows one to control the shape of the field pattern at the end of the plane waveguide. A large fringe pattern with a high interference fringe contrast is obtained. A two-dimensional model based on an aperiodic Fourier modal method is used to modelize the coupling between the bent and the plane waveguides, completed with the Helmholtz-Kirchhoff propagation. This concept gives access to plan and compact spectrometers requiring only a single low-cost realization process step. The simulation has been done to realize a spectrometer in glass integrated optics (Deltalambda=6.1 nm at 1500 nm).

High Accuracy Evaluation of the Finite Fourier Transform Using Sampled Data

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.

1997-01-01

Many system identification and signal processing procedures can be done advantageously in the frequency domain. A required preliminary step for this approach is the transformation of sampled time domain data into the frequency domain. The analytical tool used for this transformation is the finite Fourier transform. Inaccuracy in the transformation can degrade system identification and signal processing results. This work presents a method for evaluating the finite Fourier transform using cubic interpolation of sampled time domain data for high accuracy, and the chirp Zeta-transform for arbitrary frequency resolution. The accuracy of the technique is demonstrated in example cases where the transformation can be evaluated analytically. Arbitrary frequency resolution is shown to be important for capturing details of the data in the frequency domain. The technique is demonstrated using flight test data from a longitudinal maneuver of the F-18 High Alpha Research Vehicle.

Rapid and precise determination of zero-field splittings by terahertz time-domain electron paramagnetic resonance spectroscopy.

PubMed

Lu, Jian; Ozel, I Ozge; Belvin, Carina A; Li, Xian; Skorupskii, Grigorii; Sun, Lei; Ofori-Okai, Benjamin K; Dincă, Mircea; Gedik, Nuh; Nelson, Keith A

2017-11-01

Zero-field splitting (ZFS) parameters are fundamentally tied to the geometries of metal ion complexes. Despite their critical importance for understanding the magnetism and spectroscopy of metal complexes, they are not routinely available through general laboratory-based techniques, and are often inferred from magnetism data. Here we demonstrate a simple tabletop experimental approach that enables direct and reliable determination of ZFS parameters in the terahertz (THz) regime. We report time-domain measurements of electron paramagnetic resonance (EPR) signals associated with THz-frequency ZFSs in molecular complexes containing high-spin transition-metal ions. We measure the temporal profiles of the free-induction decays of spin resonances in the complexes at zero and nonzero external magnetic fields, and we derive the EPR spectra via numerical Fourier transformation of the time-domain signals. In most cases, absolute values of the ZFS parameters are extracted from the measured zero-field EPR frequencies, and the signs can be determined by zero-field measurements at two different temperatures. Field-dependent EPR measurements further allow refined determination of the ZFS parameters and access to the g -factor. The results show good agreement with those obtained by other methods. The simplicity of the method portends wide applicability in chemistry, biology and material science.

Fractional Diffusion, Low Exponent Lévy Stable Laws, and 'Slow Motion' Denoising of Helium Ion Microscope Nanoscale Imagery.

PubMed

Carasso, Alfred S; Vladár, András E

2012-01-01

Helium ion microscopes (HIM) are capable of acquiring images with better than 1 nm resolution, and HIM images are particularly rich in morphological surface details. However, such images are generally quite noisy. A major challenge is to denoise these images while preserving delicate surface information. This paper presents a powerful slow motion denoising technique, based on solving linear fractional diffusion equations forward in time. The method is easily implemented computationally, using fast Fourier transform (FFT) algorithms. When applied to actual HIM images, the method is found to reproduce the essential surface morphology of the sample with high fidelity. In contrast, such highly sophisticated methodologies as Curvelet Transform denoising, and Total Variation denoising using split Bregman iterations, are found to eliminate vital fine scale information, along with the noise. Image Lipschitz exponents are a useful image metrology tool for quantifying the fine structure content in an image. In this paper, this tool is applied to rank order the above three distinct denoising approaches, in terms of their texture preserving properties. In several denoising experiments on actual HIM images, it was found that fractional diffusion smoothing performed noticeably better than split Bregman TV, which in turn, performed slightly better than Curvelet denoising.

The torsional barriers of two equivalent methyl internal rotations in 2,5-dimethylfuran investigated by microwave spectroscopy

NASA Astrophysics Data System (ADS)

Van, Vinh; Bruckhuisen, Jonas; Stahl, Wolfgang; Ilyushin, Vadim; Nguyen, Ha Vinh Lam

2018-01-01

The microwave spectrum of 2,5-dimethylfuran was recorded using two pulsed molecular jet Fourier transform microwave spectrometers which cover the frequency range from 2 to 40 GHz. The internal rotations of two equivalent methyl tops with a barrier height of approximately 439.15 cm-1 introduce torsional splittings of all rotational transitions in the spectrum. For the spectral analysis, two different computer programs were applied and compared, the PAM-C2v-2tops code based on the principal axis method which treats several torsional states simultaneously, and the XIAM code based on the combined axis method, yielding accurate molecular parameters. The experimental work was supplemented by quantum chemical calculations. Two-dimensional potential energy surfaces depending on the torsional angles of both methyl groups were calculated and parametrized.

Efficient operator splitting algorithm for joint sparsity-regularized SPIRiT-based parallel MR imaging reconstruction.

PubMed

Duan, Jizhong; Liu, Yu; Jing, Peiguang

2018-02-01

Self-consistent parallel imaging (SPIRiT) is an auto-calibrating model for the reconstruction of parallel magnetic resonance imaging, which can be formulated as a regularized SPIRiT problem. The Projection Over Convex Sets (POCS) method was used to solve the formulated regularized SPIRiT problem. However, the quality of the reconstructed image still needs to be improved. Though methods such as NonLinear Conjugate Gradients (NLCG) can achieve higher spatial resolution, these methods always demand very complex computation and converge slowly. In this paper, we propose a new algorithm to solve the formulated Cartesian SPIRiT problem with the JTV and JL1 regularization terms. The proposed algorithm uses the operator splitting (OS) technique to decompose the problem into a gradient problem and a denoising problem with two regularization terms, which is solved by our proposed split Bregman based denoising algorithm, and adopts the Barzilai and Borwein method to update step size. Simulation experiments on two in vivo data sets demonstrate that the proposed algorithm is 1.3 times faster than ADMM for datasets with 8 channels. Especially, our proposal is 2 times faster than ADMM for the dataset with 32 channels. Copyright © 2017 Elsevier Inc. All rights reserved.

The effect of optically active turbulence on Gaussian laser beams in the ocean

NASA Astrophysics Data System (ADS)

Nootz, G.; Matt, S.; Jarosz, E.; Hou, W.

2016-02-01

Motivated by the high resolution and data transfer potential, optical imaging and communication methods are intensely investigated for marine applications. The majority of research focuses on overcoming the strong scattering of light by particles present in the ocean. However when operating in very clear water the limiting factor for such applications can be the strongly forward biased scattering from optically active turbulent layers. For this presentation the effect of optically active turbulence on focused Gaussian beams has been studied in the field, in a controlled laboratory test tank, and by numerical simulations. For the field experiments a telescoping rigid underwater sensor structure (TRUSS) was deployed in the Bahamas equipped with a diffractive optics element projecting a matrix of beams towards a fast beam profiler. Image processing techniques are used to extract the beam wander and beam breathing. The results are compared to theoretical values for the optical turbulence strength derived from the measured temperature microstructure at the test side. Laboratory and simulated experiments are carried out in a physical and numerical Rayleigh-Benard convection turbulence tank of the same geometry. A focused Gaussian laser beam is propagated through the test tank and recorded with a camera from the back side of a diffuser. Similarly, a focused Gaussian beam is propagated numerically by means of split-step Fourier method through the simulated turbulence environment. Results will be presented for weak to moderate turbulence as they are most typical for oceanic conditions. Conclusions about the effect on optical imaging and communication applications will be discussed.

Fourier-spectral element approximation of the ion–electron Braginskii system with application to tokamak edge plasma in divertor configuration

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

Minjeaud, Sebastian; INRIA project CASTOR; Pasquetti, Richard, E-mail: richard.pasquetti@unice.fr

Due to the extreme conditions required to produce energy by nuclear fusion in tokamaks, simulating the plasma behavior is an important but challenging task. We focus on the edge part of the plasma, where fluid approaches are probably the best suited, and our approach relies on the Braginskii ion–electron model. Assuming that the electric field is electrostatic, this yields a set of 10 strongly coupled and non-linear conservation equations that exhibit multiscale and anisotropy features. The computational domain is a torus of complex geometrical section, that corresponds to the divertor configuration, i.e. with an “X-point” in the magnetic surfaces. Tomore » capture the complex physics that is involved, high order methods are used: The time-discretization is based on a Strang splitting, that combines implicit and explicit high order Runge–Kutta schemes, and the space discretization makes use of the spectral element method in the poloidal plane together with Fourier expansions in the toroidal direction. The paper thoroughly describes the algorithms that have been developed, provides some numerical validations of the key algorithms and exhibits the results of preliminary numerical experiments. In particular, we point out that the highest frequency of the system is intermediate between the ion and electron cyclotron frequencies.« less

Effects of finite pulse width on two-dimensional Fourier transform electron spin resonance.

PubMed

Liang, Zhichun; Crepeau, Richard H; Freed, Jack H

2005-12-01

Two-dimensional (2D) Fourier transform ESR techniques, such as 2D-ELDOR, have considerably improved the resolution of ESR in studies of molecular dynamics in complex fluids such as liquid crystals and membrane vesicles and in spin labeled polymers and peptides. A well-developed theory based on the stochastic Liouville equation (SLE) has been successfully employed to analyze these experiments. However, one fundamental assumption has been utilized to simplify the complex analysis, viz. the pulses have been treated as ideal non-selective ones, which therefore provide uniform irradiation of the whole spectrum. In actual experiments, the pulses are of finite width causing deviations from the theoretical predictions, a problem that is exacerbated by experiments performed at higher frequencies. In the present paper we provide a method to deal with the full SLE including the explicit role of the molecular dynamics, the spin Hamiltonian and the radiation field during the pulse. The computations are rendered more manageable by utilizing the Trotter formula, which is adapted to handle this SLE in what we call a "Split Super-Operator" method. Examples are given for different motional regimes, which show how 2D-ELDOR spectra are affected by the finite pulse widths. The theory shows good agreement with 2D-ELDOR experiments performed as a function of pulse width.

Fourier plane image amplifier

DOEpatents

Hackel, Lloyd A.; Hermann, Mark R.; Dane, C. Brent; Tiszauer, Detlev H.

1995-01-01

A solid state laser is frequency tripled to 0.3 .mu.m. A small portion of the laser is split off and generates a Stokes seed in a low power oscillator. The low power output passes through a mask with the appropriate hole pattern. Meanwhile, the bulk of the laser output is focused into a larger stimulated Brillouin scattering (SBS) amplifier. The low power beam is directed through the same cell in the opposite direction. The majority of the amplification takes place at the focus which is the fourier transform plane of the mask image. The small holes occupy large area at the focus and thus are preferentially amplified. The amplified output is now imaged onto the multichip module where the holes are drilled. Because of the fourier plane amplifier, only .about.1/10th the power of a competitive system is needed. This concept allows less expensive masks to be used in the process and requires much less laser power.

Fourier plane image amplifier

DOEpatents

Hackel, L.A.; Hermann, M.R.; Dane, C.B.; Tiszauer, D.H.

1995-12-12

A solid state laser is frequency tripled to 0.3 {micro}m. A small portion of the laser is split off and generates a Stokes seed in a low power oscillator. The low power output passes through a mask with the appropriate hole pattern. Meanwhile, the bulk of the laser output is focused into a larger stimulated Brillouin scattering (SBS) amplifier. The low power beam is directed through the same cell in the opposite direction. The majority of the amplification takes place at the focus which is the fourier transform plane of the mask image. The small holes occupy large area at the focus and thus are preferentially amplified. The amplified output is now imaged onto the multichip module where the holes are drilled. Because of the fourier plane amplifier, only about 1/10th the power of a competitive system is needed. This concept allows less expensive masks to be used in the process and requires much less laser power. 1 fig.

Validation of three-dimensional incompressible spatial direct numerical simulation code: A comparison with linear stability and parabolic stability equation theories for boundary-layer transition on a flat plate

NASA Technical Reports Server (NTRS)

Joslin, Ronald D.; Streett, Craig L.; Chang, Chau-Lyan

1992-01-01

Spatially evolving instabilities in a boundary layer on a flat plate are computed by direct numerical simulation (DNS) of the incompressible Navier-Stokes equations. In a truncated physical domain, a nonstaggered mesh is used for the grid. A Chebyshev-collocation method is used normal to the wall; finite difference and compact difference methods are used in the streamwise direction; and a Fourier series is used in the spanwise direction. For time stepping, implicit Crank-Nicolson and explicit Runge-Kutta schemes are used to the time-splitting method. The influence-matrix technique is used to solve the pressure equation. At the outflow boundary, the buffer-domain technique is used to prevent convective wave reflection or upstream propagation of information from the boundary. Results of the DNS are compared with those from both linear stability theory (LST) and parabolized stability equation (PSE) theory. Computed disturbance amplitudes and phases are in very good agreement with those of LST (for small inflow disturbance amplitudes). A measure of the sensitivity of the inflow condition is demonstrated with both LST and PSE theory used to approximate inflows. Although the DNS numerics are very different than those of PSE theory, the results are in good agreement. A small discrepancy in the results that does occur is likely a result of the variation in PSE boundary condition treatment in the far field. Finally, a small-amplitude wave triad is forced at the inflow, and simulation results are compared with those of LST. Again, very good agreement is found between DNS and LST results for the 3-D simulations, the implication being that the disturbance amplitudes are sufficiently small that nonlinear interactions are negligible.

System calibration method for Fourier ptychographic microscopy.

PubMed

Pan, An; Zhang, Yan; Zhao, Tianyu; Wang, Zhaojun; Dan, Dan; Lei, Ming; Yao, Baoli

2017-09-01

Fourier ptychographic microscopy (FPM) is a recently proposed computational imaging technique with both high-resolution and wide field of view. In current FPM imaging platforms, systematic error sources come from aberrations, light-emitting diode (LED) intensity fluctuation, parameter imperfections, and noise, all of which may severely corrupt the reconstruction results with similar artifacts. Therefore, it would be unlikely to distinguish the dominating error from these degraded reconstructions without any preknowledge. In addition, systematic error is generally a mixture of various error sources in the real situation, and it cannot be separated due to their mutual restriction and conversion. To this end, we report a system calibration procedure, termed SC-FPM, to calibrate the mixed systematic errors simultaneously from an overall perspective, based on the simulated annealing algorithm, the LED intensity correction method, the nonlinear regression process, and the adaptive step-size strategy, which involves the evaluation of an error metric at each iteration step, followed by the re-estimation of accurate parameters. The performance achieved both in simulations and experiments demonstrates that the proposed method outperforms other state-of-the-art algorithms. The reported system calibration scheme improves the robustness of FPM, relaxes the experiment conditions, and does not require any preknowledge, which makes the FPM more pragmatic. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Accurate step-FMCW ultrasound ranging and comparison with pulse-echo signaling methods

NASA Astrophysics Data System (ADS)

Natarajan, Shyam; Singh, Rahul S.; Lee, Michael; Cox, Brian P.; Culjat, Martin O.; Grundfest, Warren S.; Lee, Hua

2010-03-01

This paper presents a method setup for high-frequency ultrasound ranging based on stepped frequency-modulated continuous waves (FMCW), potentially capable of producing a higher signal-to-noise ratio (SNR) compared to traditional pulse-echo signaling. In current ultrasound systems, the use of higher frequencies (10-20 MHz) to enhance resolution lowers signal quality due to frequency-dependent attenuation. The proposed ultrasound signaling format, step-FMCW, is well-known in the radar community, and features lower peak power, wider dynamic range, lower noise figure and simpler electronics in comparison to pulse-echo systems. In pulse-echo ultrasound ranging, distances are calculated using the transmit times between a pulse and its subsequent echoes. In step-FMCW ultrasonic ranging, the phase and magnitude differences at stepped frequencies are used to sample the frequency domain. Thus, by taking the inverse Fourier transform, a comprehensive range profile is recovered that has increased immunity to noise over conventional ranging methods. Step-FMCW and pulse-echo waveforms were created using custom-built hardware consisting of an arbitrary waveform generator and dual-channel super heterodyne receiver, providing high SNR and in turn, accuracy in detection.

Numerical investigation of split flows by gravity currents into two-layered stratified water bodies

NASA Astrophysics Data System (ADS)

Cortés, A.; Wells, M. G.; Fringer, O. B.; Arthur, R. S.; Rueda, F. J.

2015-07-01

The behavior of a two-dimensional (2-D) gravity current impinging upon a density step in a two-layered stratified basin is analyzed using a high-resolution Reynolds-Averaged Navier-Stokes model. The gravity current splits at the density step, and the portion of the buoyancy flux becoming an interflow is largely controlled by the vertical distribution of velocity and density within the gravity current and the magnitude of the density step between the two ambient layers. This is in agreement with recent laboratory observations. The strongest changes in the ambient density profiles occur as a result of the impingement of supercritical currents with strong density contrasts, for which a large portion of the gravity current detaches from the bottom and becomes an interflow. We characterize the current partition process in the simulated experiments using the densimetric Froude number of the current (Fr) across the density step (upstream and downstream). When underflows are formed, more supercritical currents are observed downstream of the density step compared to upstream (Fru < Frd), and thus, stronger mixing of the current with the ambient water downstream. However, when split flows and interflows are formed, smaller Fr values are identified after the current crosses the density step (Fru > Frd), which indicates lower mixing between the current and ambient water after the impingement due to the significant stripping of interfacial material at the density step.

Multidimensional upwind hydrodynamics on unstructured meshes using graphics processing units - I. Two-dimensional uniform meshes

NASA Astrophysics Data System (ADS)

Paardekooper, S.-J.

2017-08-01

We present a new method for numerical hydrodynamics which uses a multidimensional generalization of the Roe solver and operates on an unstructured triangular mesh. The main advantage over traditional methods based on Riemann solvers, which commonly use one-dimensional flux estimates as building blocks for a multidimensional integration, is its inherently multidimensional nature, and as a consequence its ability to recognize multidimensional stationary states that are not hydrostatic. A second novelty is the focus on graphics processing units (GPUs). By tailoring the algorithms specifically to GPUs, we are able to get speedups of 100-250 compared to a desktop machine. We compare the multidimensional upwind scheme to a traditional, dimensionally split implementation of the Roe solver on several test problems, and we find that the new method significantly outperforms the Roe solver in almost all cases. This comes with increased computational costs per time-step, which makes the new method approximately a factor of 2 slower than a dimensionally split scheme acting on a structured grid.

Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study.

PubMed

Mondal, Bhaskar; Neese, Frank; Ye, Shengfa

2015-08-03

The development of efficient catalysts with base metals for CO2 hydrogenation has always been a major thrust of interest. A series of experimental and theoretical work has revealed that the catalytic cycle typically involves two key steps, namely, base-promoted heterolytic H2 splitting and hydride transfer to CO2, either of which can be the rate-determining step (RDS) of the entire reaction. To explore the determining factor for the nature of RDS, we present herein a comparative mechanistic investigation on CO2 hydrogenation mediated by [M(H)(η(2)-H2)(PP3(Ph))](n+) (M = Fe(II), Ru(II), and Co(III); PP3(Ph) = tris(2-(diphenylphosphino)phenyl)phosphine) type complexes. In order to construct reliable free energy profiles, we used highly correlated wave function based ab initio methods of the coupled cluster type alongside the standard density functional theory. Our calculations demonstrate that the hydricity of the metal-hydride intermediate generated by H2 splitting dictates the nature of the RDS for the Fe(II) and Co(III) systems, while the RDS for the Ru(II) catalyst appears to be ambiguous. CO2 hydrogenation catalyzed by the Fe(II) complex that possesses moderate hydricity traverses an H2-splitting RDS, whereas the RDS for the high-hydricity Co(III) species is found to be the hydride transfer. Thus, our findings suggest that hydricity can be used as a practical guide in future catalyst design. Enhancing the electron-accepting ability of low-hydricity catalysts is likely to improve their catalytic performance, while increasing the electron-donating ability of high-hydricity complexes may speed up CO2 conversion. Moreover, we also established the active roles of base NEt3 in directing the heterolytic H2 splitting and assisting product release through the formation of an acid-base complex.

Unique characteristics of motor adaptation during walking in young children.

PubMed

Musselman, Kristin E; Patrick, Susan K; Vasudevan, Erin V L; Bastian, Amy J; Yang, Jaynie F

2011-05-01

Children show precocious ability in the learning of languages; is this the case with motor learning? We used split-belt walking to probe motor adaptation (a form of motor learning) in children. Data from 27 children (ages 8-36 mo) were compared with those from 10 adults. Children walked with the treadmill belts at the same speed (tied belt), followed by walking with the belts moving at different speeds (split belt) for 8-10 min, followed again by tied-belt walking (postsplit). Initial asymmetries in temporal coordination (i.e., double support time) induced by split-belt walking were slowly reduced, with most children showing an aftereffect (i.e., asymmetry in the opposite direction to the initial) in the early postsplit period, indicative of learning. In contrast, asymmetries in spatial coordination (i.e., center of oscillation) persisted during split-belt walking and no aftereffect was seen. Step length, a measure of both spatial and temporal coordination, showed intermediate effects. The time course of learning in double support and step length was slower in children than in adults. Moreover, there was a significant negative correlation between the size of the initial asymmetry during early split-belt walking (called error) and the aftereffect for step length. Hence, children may have more difficulty learning when the errors are large. The findings further suggest that the mechanisms controlling temporal and spatial adaptation are different and mature at different times.

Semi-implicit iterative methods for low Mach number turbulent reacting flows: Operator splitting versus approximate factorization

NASA Astrophysics Data System (ADS)

MacArt, Jonathan F.; Mueller, Michael E.

2016-12-01

Two formally second-order accurate, semi-implicit, iterative methods for the solution of scalar transport-reaction equations are developed for Direct Numerical Simulation (DNS) of low Mach number turbulent reacting flows. The first is a monolithic scheme based on a linearly implicit midpoint method utilizing an approximately factorized exact Jacobian of the transport and reaction operators. The second is an operator splitting scheme based on the Strang splitting approach. The accuracy properties of these schemes, as well as their stability, cost, and the effect of chemical mechanism size on relative performance, are assessed in two one-dimensional test configurations comprising an unsteady premixed flame and an unsteady nonpremixed ignition, which have substantially different Damköhler numbers and relative stiffness of transport to chemistry. All schemes demonstrate their formal order of accuracy in the fully-coupled convergence tests. Compared to a (non-)factorized scheme with a diagonal approximation to the chemical Jacobian, the monolithic, factorized scheme using the exact chemical Jacobian is shown to be both more stable and more economical. This is due to an improved convergence rate of the iterative procedure, and the difference between the two schemes in convergence rate grows as the time step increases. The stability properties of the Strang splitting scheme are demonstrated to outpace those of Lie splitting and monolithic schemes in simulations at high Damköhler number; however, in this regime, the monolithic scheme using the approximately factorized exact Jacobian is found to be the most economical at practical CFL numbers. The performance of the schemes is further evaluated in a simulation of a three-dimensional, spatially evolving, turbulent nonpremixed planar jet flame.

A linear stability analysis for nonlinear, grey, thermal radiative transfer problems

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

Wollaber, Allan B., E-mail: wollaber@lanl.go; Larsen, Edward W., E-mail: edlarsen@umich.ed

2011-02-20

We present a new linear stability analysis of three time discretizations and Monte Carlo interpretations of the nonlinear, grey thermal radiative transfer (TRT) equations: the widely used 'Implicit Monte Carlo' (IMC) equations, the Carter Forest (CF) equations, and the Ahrens-Larsen or 'Semi-Analog Monte Carlo' (SMC) equations. Using a spatial Fourier analysis of the 1-D Implicit Monte Carlo (IMC) equations that are linearized about an equilibrium solution, we show that the IMC equations are unconditionally stable (undamped perturbations do not exist) if {alpha}, the IMC time-discretization parameter, satisfies 0.5 < {alpha} {<=} 1. This is consistent with conventional wisdom. However, wemore » also show that for sufficiently large time steps, unphysical damped oscillations can exist that correspond to the lowest-frequency Fourier modes. After numerically confirming this result, we develop a method to assess the stability of any time discretization of the 0-D, nonlinear, grey, thermal radiative transfer problem. Subsequent analyses of the CF and SMC methods then demonstrate that the CF method is unconditionally stable and monotonic, but the SMC method is conditionally stable and permits unphysical oscillatory solutions that can prevent it from reaching equilibrium. This stability theory provides new conditions on the time step to guarantee monotonicity of the IMC solution, although they are likely too conservative to be used in practice. Theoretical predictions are tested and confirmed with numerical experiments.« less

A linear stability analysis for nonlinear, grey, thermal radiative transfer problems

NASA Astrophysics Data System (ADS)

Wollaber, Allan B.; Larsen, Edward W.

2011-02-01

We present a new linear stability analysis of three time discretizations and Monte Carlo interpretations of the nonlinear, grey thermal radiative transfer (TRT) equations: the widely used “Implicit Monte Carlo” (IMC) equations, the Carter Forest (CF) equations, and the Ahrens-Larsen or “Semi-Analog Monte Carlo” (SMC) equations. Using a spatial Fourier analysis of the 1-D Implicit Monte Carlo (IMC) equations that are linearized about an equilibrium solution, we show that the IMC equations are unconditionally stable (undamped perturbations do not exist) if α, the IMC time-discretization parameter, satisfies 0.5 < α ⩽ 1. This is consistent with conventional wisdom. However, we also show that for sufficiently large time steps, unphysical damped oscillations can exist that correspond to the lowest-frequency Fourier modes. After numerically confirming this result, we develop a method to assess the stability of any time discretization of the 0-D, nonlinear, grey, thermal radiative transfer problem. Subsequent analyses of the CF and SMC methods then demonstrate that the CF method is unconditionally stable and monotonic, but the SMC method is conditionally stable and permits unphysical oscillatory solutions that can prevent it from reaching equilibrium. This stability theory provides new conditions on the time step to guarantee monotonicity of the IMC solution, although they are likely too conservative to be used in practice. Theoretical predictions are tested and confirmed with numerical experiments.

Fourier transformation microwave spectroscopy of the methyl glycolate-H2O complex

NASA Astrophysics Data System (ADS)

Fujitake, Masaharu; Tanaka, Toshihiro; Ohashi, Nobukimi

2018-01-01

The rotational spectrum of one conformer of the methyl glycolate-H2O complex has been measured by means of the pulsed jet Fourier transform microwave spectrometer. The observed a- and b-type transitions exhibit doublet splittings due to the internal rotation of the methyl group. On the other hand, most of the c-type transitions exhibit quartet splittings arising from the methyl internal rotation and the inversion motion between two equivalent conformations. The spectrum was analyzed using parameterized expressions of the Hamiltonian matrix elements derived by applying the tunneling matrix formalism. Based on the results obtained from ab initio calculation, the observed complex of methyl glycolate-H2O was assigned to the most stable conformer of the insertion complex, in which a non-planer seven membered-ring structure is formed by the intermolecular hydrogen bonds between methyl glycolate and H2O subunits. The inversion motion observed in the c-type transitions is therefore a kind of ring-inversion motion between two equivalent conformations. Conformational flexibility, which corresponds to the ring-inversion between two equivalent conformations and to the isomerization between two possible conformers of the insertion complex, was investigated with the help of the ab initio calculation.

On Lack of Robustness in Hydrological Model Development Due to Absence of Guidelines for Selecting Calibration and Evaluation Data: Demonstration for Data-Driven Models

NASA Astrophysics Data System (ADS)

Zheng, Feifei; Maier, Holger R.; Wu, Wenyan; Dandy, Graeme C.; Gupta, Hoshin V.; Zhang, Tuqiao

2018-02-01

Hydrological models are used for a wide variety of engineering purposes, including streamflow forecasting and flood-risk estimation. To develop such models, it is common to allocate the available data to calibration and evaluation data subsets. Surprisingly, the issue of how this allocation can affect model evaluation performance has been largely ignored in the research literature. This paper discusses the evaluation performance bias that can arise from how available data are allocated to calibration and evaluation subsets. As a first step to assessing this issue in a statistically rigorous fashion, we present a comprehensive investigation of the influence of data allocation on the development of data-driven artificial neural network (ANN) models of streamflow. Four well-known formal data splitting methods are applied to 754 catchments from Australia and the U.S. to develop 902,483 ANN models. Results clearly show that the choice of the method used for data allocation has a significant impact on model performance, particularly for runoff data that are more highly skewed, highlighting the importance of considering the impact of data splitting when developing hydrological models. The statistical behavior of the data splitting methods investigated is discussed and guidance is offered on the selection of the most appropriate data splitting methods to achieve representative evaluation performance for streamflow data with different statistical properties. Although our results are obtained for data-driven models, they highlight the fact that this issue is likely to have a significant impact on all types of hydrological models, especially conceptual rainfall-runoff models.

PCTDSE: A parallel Cartesian-grid-based TDSE solver for modeling laser-atom interactions

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Zeng, Jiaolong; Yuan, Jianmin

2017-01-01

We present a parallel Cartesian-grid-based time-dependent Schrödinger equation (TDSE) solver for modeling laser-atom interactions. It can simulate the single-electron dynamics of atoms in arbitrary time-dependent vector potentials. We use a split-operator method combined with fast Fourier transforms (FFT), on a three-dimensional (3D) Cartesian grid. Parallelization is realized using a 2D decomposition strategy based on the Message Passing Interface (MPI) library, which results in a good parallel scaling on modern supercomputers. We give simple applications for the hydrogen atom using the benchmark problems coming from the references and obtain repeatable results. The extensions to other laser-atom systems are straightforward with minimal modifications of the source code.

Rapid update of discrete Fourier transform for real-time signal processing

NASA Astrophysics Data System (ADS)

Sherlock, Barry G.; Kakad, Yogendra P.

2001-10-01

In many identification and target recognition applications, the incoming signal will have properties that render it amenable to analysis or processing in the Fourier domain. In such applications, however, it is usually essential that the identification or target recognition be performed in real time. An important constraint upon real-time processing in the Fourier domain is the time taken to perform the Discrete Fourier Transform (DFT). Ideally, a new Fourier transform should be obtained after the arrival of every new data point. However, the Fast Fourier Transform (FFT) algorithm requires on the order of N log2 N operations, where N is the length of the transform, and this usually makes calculation of the transform for every new data point computationally prohibitive. In this paper, we develop an algorithm to update the existing DFT to represent the new data series that results when a new signal point is received. Updating the DFT in this way uses less computational order by a factor of log2 N. The algorithm can be modified to work in the presence of data window functions. This is a considerable advantage, because windowing is often necessary to reduce edge effects that occur because the implicit periodicity of the Fourier transform is not exhibited by the real-world signal. Versions are developed in this paper for use with the boxcar window, the split triangular, Hanning, Hamming, and Blackman windows. Generalization of these results to 2D is also presented.

High-order scheme for the source-sink term in a one-dimensional water temperature model

PubMed Central

Jing, Zheng; Kang, Ling

2017-01-01

The source-sink term in water temperature models represents the net heat absorbed or released by a water system. This term is very important because it accounts for solar radiation that can significantly affect water temperature, especially in lakes. However, existing numerical methods for discretizing the source-sink term are very simplistic, causing significant deviations between simulation results and measured data. To address this problem, we present a numerical method specific to the source-sink term. A vertical one-dimensional heat conduction equation was chosen to describe water temperature changes. A two-step operator-splitting method was adopted as the numerical solution. In the first step, using the undetermined coefficient method, a high-order scheme was adopted for discretizing the source-sink term. In the second step, the diffusion term was discretized using the Crank-Nicolson scheme. The effectiveness and capability of the numerical method was assessed by performing numerical tests. Then, the proposed numerical method was applied to a simulation of Guozheng Lake (located in central China). The modeling results were in an excellent agreement with measured data. PMID:28264005

High-order scheme for the source-sink term in a one-dimensional water temperature model.

PubMed

Jing, Zheng; Kang, Ling

2017-01-01

The source-sink term in water temperature models represents the net heat absorbed or released by a water system. This term is very important because it accounts for solar radiation that can significantly affect water temperature, especially in lakes. However, existing numerical methods for discretizing the source-sink term are very simplistic, causing significant deviations between simulation results and measured data. To address this problem, we present a numerical method specific to the source-sink term. A vertical one-dimensional heat conduction equation was chosen to describe water temperature changes. A two-step operator-splitting method was adopted as the numerical solution. In the first step, using the undetermined coefficient method, a high-order scheme was adopted for discretizing the source-sink term. In the second step, the diffusion term was discretized using the Crank-Nicolson scheme. The effectiveness and capability of the numerical method was assessed by performing numerical tests. Then, the proposed numerical method was applied to a simulation of Guozheng Lake (located in central China). The modeling results were in an excellent agreement with measured data.

Observation of photonic states dynamics in 3-D integrated Fourier circuits

NASA Astrophysics Data System (ADS)

Flamini, Fulvio; Viggianiello, Niko; Giordani, Taira; Bentivegna, Marco; Spagnolo, Nicolò; Crespi, Andrea; Corrielli, Giacomo; Osellame, Roberto; Martin-Delgado, Miguel Angel; Sciarrino, Fabio

2018-07-01

Entanglement is a fundamental resource at the basis of quantum-enhanced performances in several applications, such as quantum algorithms and quantum metrology. In these contexts, Fourier interferometers implement a relevant class of unitary evolutions which can be embedded in a large variety of protocols. For instance, in the single-particle regime it can be adopted to implement the quantum Fourier transform, while in the multi-particle scenario it can be employed to generate quantum states possessing useful entanglement for quantum phase estimation purposes, or as a tool to verify genuine multi-photon interference. In this article, we study experimentally the dynamics of single-photon and two-photon input states during the evolution provided by a 8-mode Fourier transformation, implemented by exploiting a three-dimensional architecture enabled by the femtosecond laser micromachining technology. In such a way, we fabricated three devices to study the evolution after each step of the decomposition. We observe that the probability distributions obey a step-by-step majorization relationship, where the quantum state occupies a progressively larger portion of the Hilbert space. Such behaviour can be related to the majorization principle, which has been conjectured as a necessary condition for quantum speedup.

Fourier Transform Infrared Spectroscopy: Part II. Advantages of FT-IR.

ERIC Educational Resources Information Center

Perkins, W. D.

1987-01-01

This is Part II in a series on Fourier transform infrared spectroscopy (FT-IR). Described are various advantages of FT-IR spectroscopy including energy advantages, wavenumber accuracy, constant resolution, polarization effects, and stepping at grating changes. (RH)

Implementation of Time-Resolved Step-Scan Fourier Transform Infrared (FT-IR) Spectroscopy Using a kHz Repetition Rate Pump Laser

PubMed Central

MAGANA, DONNY; PARUL, DZMITRY; DYER, R. BRIAN; SHREVE, ANDREW P.

2011-01-01

Time-resolved step-scan Fourier transform infrared (FT-IR) spectroscopy has been shown to be invaluable for studying excited-state structures and dynamics in both biological and inorganic systems. Despite the established utility of this method, technical challenges continue to limit the data quality and more wide ranging applications. A critical problem has been the low laser repetition rate and interferometer stepping rate (both are typically 10 Hz) used for data acquisition. Here we demonstrate significant improvement in the quality of time-resolved spectra through the use of a kHz repetition rate laser to achieve kHz excitation and data collection rates while stepping the spectrometer at 200 Hz. We have studied the metal-to-ligand charge transfer excited state of Ru(bipyridine)3Cl2 in deuterated acetonitrile to test and optimize high repetition rate data collection. Comparison of different interferometer stepping rates reveals an optimum rate of 200 Hz due to minimization of long-term baseline drift. With the improved collection efficiency and signal-to-noise ratio, better assignments of the MLCT excited-state bands can be made. Using optimized parameters, carbonmonoxy myoglobin in deuterated buffer is also studied by observing the infrared signatures of carbon monoxide photolysis upon excitation of the heme. We conclude from these studies that a substantial increase in performance of ss-FT-IR instrumentation is achieved by coupling commercial infrared benches with kHz repetition rate lasers. PMID:21513597

A modified Dodge algorithm for the parabolized Navier-Stokes equations and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.; Dwoyer, D. M.

1983-01-01

A revised version of Dodge's split-velocity method for numerical calculation of compressible duct flow has been developed. The revision incorporates balancing of massflow rates on each marching step in order to maintain front-to-back continuity during the calculation. Qualitative agreement with analytical predictions and experimental results has been obtained for some flows with well-known solutions.

Chirped-Pulse and Cavity Based Fourier Transform Microwave Spectroscopy of the Methyl Lactate-Ammonia Adduct

NASA Astrophysics Data System (ADS)

Thomas, Javix; Sukhorukov, Oleksandr; Jaeger, Wolfgang; Xu, Yunjie

2012-06-01

The hydrogen bonded complex of ammonia with methyl lactate, a chiral alpha-hydroxyester, has been studied using rotational spectroscopy and high level ab initio calculations. Previous studies showed that methyl lactate can exist in a number of conformers. However, only the most stable one which has an intramolecular hydrogen bonded ring formed with its alcoholic hydroxyl and its carbonyl oxygen atom was detected experimentally An extensive ab initio search has been performed to locate all possible low energy conformers of the methyl lactate-ammonia contact pair. Five lowest energy conformers have been identified at the MP2/6-311++G(d,p) level. The lowest energy conformer favors an insertion arrangement, where ammonia is inserted into the existing intramolecular hydrogen bonded ring in the most stable methyl lactate conformer. Broadband scans for the rotational spectra of possible binary conformers have been carried out using a chirped-pulse Fourier transform microwave (FTMW) instrument. The most stable binary adduct was identified and assigned. The final frequency measurements have been done with a cavity based FTMW instrument. The spectrum observed shows complicated fine and hyperfine splitting patterns, likely due to the internal rotations of the methyl groups of methyl lactate and that of ammonia, as well as the 14N quadrupolar nucleus. The binary adduct with 15NH3 has also been studied to simplify the splitting pattern and to aid the assignments of the extensive splittings. The isotopic data and the fine and hyperfine structures will be discussed in terms of internal rotation dynamics and geometry of the hydrogen bonded adduct.

One-Step Hydrothermal-Electrochemical Route to Carbon-Stabilized Anatase Powders

NASA Astrophysics Data System (ADS)

Tao, Ying; Yi, Danqing; Zhu, Baojun

2013-04-01

Black carbon-stabilized anatase particles were prepared by a simple one-step hydrothermal-electrochemical method using glucose and titanium citrate as the carbon and titanium source, respectively. Morphological, chemical, structural, and electrochemical characterizations of these powders were carried out by Raman spectroscopy, Fourier-transform infrared spectroscopy, x-ray diffraction, scanning electron microscopy, and cyclic voltammetry. It was revealed that 200-nm carbon/anatase TiO2 was homogeneously dispersed, and the powders exhibited excellent cyclic performance at high current rates of 0.05 V/s. The powders are interesting potential materials that could be used as anodes for lithium-ion batteries.

Creating ensembles of oblique decision trees with evolutionary algorithms and sampling

DOEpatents

Cantu-Paz, Erick [Oakland, CA; Kamath, Chandrika [Tracy, CA

2006-06-13

A decision tree system that is part of a parallel object-oriented pattern recognition system, which in turn is part of an object oriented data mining system. A decision tree process includes the step of reading the data. If necessary, the data is sorted. A potential split of the data is evaluated according to some criterion. An initial split of the data is determined. The final split of the data is determined using evolutionary algorithms and statistical sampling techniques. The data is split. Multiple decision trees are combined in ensembles.

Remote NMR/MRI detection of laser polarized gases

DOEpatents

Pines, Alexander; Saxena, Sunil; Moule, Adam; Spence, Megan; Seeley, Juliette A.; Pierce, Kimberly L.; Han, Song-I; Granwehr, Josef

2006-06-13

An apparatus and method for remote NMR/MRI spectroscopy having an encoding coil with a sample chamber, a supply of signal carriers, preferably hyperpolarized xenon and a detector allowing the spatial and temporal separation of signal preparation and signal detection steps. This separation allows the physical conditions and methods of the encoding and detection steps to be optimized independently. The encoding of the carrier molecules may take place in a high or a low magnetic field and conventional NMR pulse sequences can be split between encoding and detection steps. In one embodiment, the detector is a high magnetic field NMR apparatus. In another embodiment, the detector is a superconducting quantum interference device. A further embodiment uses optical detection of Rb--Xe spin exchange. Another embodiment uses an optical magnetometer using non-linear Faraday rotation. Concentration of the signal carriers in the detector can greatly improve the signal to noise ratio.

A marching-walking hybrid induces step length adaptation and transfers to natural walking

PubMed Central

Long, Andrew W.; Finley, James M.

2015-01-01

Walking is highly adaptable to new demands and environments. We have previously studied adaptation of locomotor patterns via a split-belt treadmill, where subjects learn to walk with one foot moving faster than the other. Subjects learn to adapt their walking pattern by changing the location (spatial) and time (temporal) of foot placement. Here we asked whether we can induce adaptation of a specific walking pattern when one limb does not “walk” but instead marches in place (i.e., marching-walking hybrid). The marching leg's movement is limited during the stance phase, and thus certain sensory signals important for walking may be reduced. We hypothesized that this would produce a spatial-temporal strategy different from that of normal split-belt adaptation. Healthy subjects performed two experiments to determine whether they could adapt their spatial-temporal pattern of step lengths during the marching-walking hybrid and whether the learning transfers to over ground walking. Results showed that the hybrid group did adapt their step lengths, but the time course of adaptation and deadaption was slower than that for the split-belt group. We also observed that the hybrid group utilized a mostly spatial strategy whereas the split-belt group utilized both spatial and temporal strategies. Surprisingly, we found no significant difference between the hybrid and split-belt groups in over ground transfer. Moreover, the hybrid group retained more of the learned pattern when they returned to the treadmill. These findings suggest that physical rehabilitation with this marching-walking paradigm on conventional treadmills may produce changes in symmetry comparable to what is observed during split-belt training. PMID:25867742

A marching-walking hybrid induces step length adaptation and transfers to natural walking.

PubMed

Long, Andrew W; Finley, James M; Bastian, Amy J

2015-06-01

Walking is highly adaptable to new demands and environments. We have previously studied adaptation of locomotor patterns via a split-belt treadmill, where subjects learn to walk with one foot moving faster than the other. Subjects learn to adapt their walking pattern by changing the location (spatial) and time (temporal) of foot placement. Here we asked whether we can induce adaptation of a specific walking pattern when one limb does not "walk" but instead marches in place (i.e., marching-walking hybrid). The marching leg's movement is limited during the stance phase, and thus certain sensory signals important for walking may be reduced. We hypothesized that this would produce a spatial-temporal strategy different from that of normal split-belt adaptation. Healthy subjects performed two experiments to determine whether they could adapt their spatial-temporal pattern of step lengths during the marching-walking hybrid and whether the learning transfers to over ground walking. Results showed that the hybrid group did adapt their step lengths, but the time course of adaptation and deadaption was slower than that for the split-belt group. We also observed that the hybrid group utilized a mostly spatial strategy whereas the split-belt group utilized both spatial and temporal strategies. Surprisingly, we found no significant difference between the hybrid and split-belt groups in over ground transfer. Moreover, the hybrid group retained more of the learned pattern when they returned to the treadmill. These findings suggest that physical rehabilitation with this marching-walking paradigm on conventional treadmills may produce changes in symmetry comparable to what is observed during split-belt training. Copyright © 2015 the American Physiological Society.

Incompressible material point method for free surface flow

NASA Astrophysics Data System (ADS)

Zhang, Fan; Zhang, Xiong; Sze, Kam Yim; Lian, Yanping; Liu, Yan

2017-02-01

To overcome the shortcomings of the weakly compressible material point method (WCMPM) for modeling the free surface flow problems, an incompressible material point method (iMPM) is proposed based on operator splitting technique which splits the solution of momentum equation into two steps. An intermediate velocity field is first obtained by solving the momentum equations ignoring the pressure gradient term, and then the intermediate velocity field is corrected by the pressure term to obtain a divergence-free velocity field. A level set function which represents the signed distance to free surface is used to track the free surface and apply the pressure boundary conditions. Moreover, an hourglass damping is introduced to suppress the spurious velocity modes which are caused by the discretization of the cell center velocity divergence from the grid vertexes velocities when solving pressure Poisson equations. Numerical examples including dam break, oscillation of a cubic liquid drop and a droplet impact into deep pool show that the proposed incompressible material point method is much more accurate and efficient than the weakly compressible material point method in solving free surface flow problems.

Unifying time evolution and optimization with matrix product states

NASA Astrophysics Data System (ADS)

Haegeman, Jutho; Lubich, Christian; Oseledets, Ivan; Vandereycken, Bart; Verstraete, Frank

2016-10-01

We show that the time-dependent variational principle provides a unifying framework for time-evolution methods and optimization methods in the context of matrix product states. In particular, we introduce a new integration scheme for studying time evolution, which can cope with arbitrary Hamiltonians, including those with long-range interactions. Rather than a Suzuki-Trotter splitting of the Hamiltonian, which is the idea behind the adaptive time-dependent density matrix renormalization group method or time-evolving block decimation, our method is based on splitting the projector onto the matrix product state tangent space as it appears in the Dirac-Frenkel time-dependent variational principle. We discuss how the resulting algorithm resembles the density matrix renormalization group (DMRG) algorithm for finding ground states so closely that it can be implemented by changing just a few lines of code and it inherits the same stability and efficiency. In particular, our method is compatible with any Hamiltonian for which ground-state DMRG can be implemented efficiently. In fact, DMRG is obtained as a special case of our scheme for imaginary time evolution with infinite time step.

MMI-based MOEMS FT spectrometer for visible and IR spectral ranges

NASA Astrophysics Data System (ADS)

Al-Demerdash, Bassem M.; Medhat, Mostafa; Sabry, Yasser M.; Saadany, Bassam; Khalil, Diaa

2014-03-01

MEMS spectrometers have very strong potential in future healthcare and environmental monitoring applications, where Michelson interferometers are the core optical engine. Recently, MEMS Michelson interferometers based on using silicon interface as a beam splitter (BS) has been proposed [7, 8]. This allows having a monolithically-integrated on-chip FTIR spectrometer. However silicon BS exhibits high absorption loss in the visible range and high material dispersion in the near infrared (NIR) range. For this reason, we propose in this work a novel MOEMS interferometer allowing operation over wider spectral range covering both the infrared (IR) and the visible ranges. The proposed architecture is based on spatial splitting and combining of optical beams using the imaging properties of Multi-Mode Interference MMI waveguide. The proposed structure includes an optical splitter for spatial splitting an input beam into two beams and a combiner for spatial combining the two interferometer beams. A MEMS moveable mirror is provided to produce an optical path difference between the two beams. The new interferometer is fabricated using DRIE technology on an SOI wafer. The movable mirror is metalized and attached to a comb-drive actuator fabricated in the same lithography step in a self-aligned manner on chip. The novel interferometer is tested as a Fourier transform spectrometer. Red laser, IR laser and absorption spectra of different materials are measured with a resolution of 2.5 nm at 635-nm wavelength. The structure is a very compact one that allows its integration and fabrication on a large scale with very low cost.

Evaluation of intrinsic respiratory signal determination methods for 4D CBCT adapted for mice

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

Martin, Rachael; Pan, Tinsu, E-mail: tpan@mdanderson.org; Rubinstein, Ashley

Purpose: 4D CT imaging in mice is important in a variety of areas including studies of lung function and tumor motion. A necessary step in 4D imaging is obtaining a respiratory signal, which can be done through an external system or intrinsically through the projection images. A number of methods have been developed that can successfully determine the respiratory signal from cone-beam projection images of humans, however only a few have been utilized in a preclinical setting and most of these rely on step-and-shoot style imaging. The purpose of this work is to assess and make adaptions of several successfulmore » methods developed for humans for an image-guided preclinical radiation therapy system. Methods: Respiratory signals were determined from the projection images of free-breathing mice scanned on the X-RAD system using four methods: the so-called Amsterdam shroud method, a method based on the phase of the Fourier transform, a pixel intensity method, and a center of mass method. The Amsterdam shroud method was modified so the sharp inspiration peaks associated with anesthetized mouse breathing could be detected. Respiratory signals were used to sort projections into phase bins and 4D images were reconstructed. Error and standard deviation in the assignment of phase bins for the four methods compared to a manual method considered to be ground truth were calculated for a range of region of interest (ROI) sizes. Qualitative comparisons were additionally made between the 4D images obtained using each of the methods and the manual method. Results: 4D images were successfully created for all mice with each of the respiratory signal extraction methods. Only minimal qualitative differences were noted between each of the methods and the manual method. The average error (and standard deviation) in phase bin assignment was 0.24 ± 0.08 (0.49 ± 0.11) phase bins for the Fourier transform method, 0.09 ± 0.03 (0.31 ± 0.08) phase bins for the modified Amsterdam shroud method, 0.09 ± 0.02 (0.33 ± 0.07) phase bins for the intensity method, and 0.37 ± 0.10 (0.57 ± 0.08) phase bins for the center of mass method. Little dependence on ROI size was noted for the modified Amsterdam shroud and intensity methods while the Fourier transform and center of mass methods showed a noticeable dependence on the ROI size. Conclusions: The modified Amsterdam shroud, Fourier transform, and intensity respiratory signal methods are sufficiently accurate to be used for 4D imaging on the X-RAD system and show improvement over the existing center of mass method. The intensity and modified Amsterdam shroud methods are recommended due to their high accuracy and low dependence on ROI size.« less

A one-step method to fabricate PLLA scaffolds with deposition of bioactive hydroxyapatite and collagen using ice-based microporogens

PubMed Central

Li, Jiashen; Chen, Yun; Mak, Arthur F.T.; Tuan, Rocky S.; Li, Lin; Li, Yi

2010-01-01

Porous poly(L-lactic acid) (PLLA) scaffolds with bioactive coatings were prepared by a novel one-step method. In this process, ice-based microporogens containing bioactive molecules, such as hydroxyapatite (HA) and collagen, served as both porogens to form the porous structure and vehicles to transfer the bioactive molecules to the inside of PLLA scaffolds in a single step. Based on scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) analysis, the bioactive components were found to be transferred successfully from the porogens to PLLA scaffolds evenly. Osteoblast cells were used to evaluate the cellular behaviors of the composite scaffolds. After 8 days culturing, MTT assay and alkaline phosphatase (ALP) activity results suggested that HA/collagen could improve the interactions between osteoblast cells and the polymeric scaffold. PMID:20004261

An optimal open/closed-loop control method with application to a pre-stressed thin duralumin plate

NASA Astrophysics Data System (ADS)

Nadimpalli, Sruthi Raju

The excessive vibrations of a pre-stressed duralumin plate, suppressed by a combination of open-loop and closed-loop controls, also known as open/closed-loop control, is studied in this thesis. The two primary steps involved in this process are: Step (I) with an assumption that the closed-loop control law is proportional, obtain the optimal open-loop control by direct minimization of the performance measure consisting of energy at terminal time and a penalty on open-loop control force via calculus of variations. If the performance measure also involves a penalty on closed-loop control effort then a Fourier based method is utilized. Step (II) the energy at terminal time is minimized numerically to obtain optimal values of feedback gains. The optimal closed-loop control gains obtained are used to describe the displacement and the velocity of open-loop, closed-loop and open/closed-loop controlled duralumin plate.

On Spurious Numerics in Solving Reactive Equations

NASA Technical Reports Server (NTRS)

Kotov, D. V; Yee, H. C.; Wang, W.; Shu, C.-W.

2013-01-01

The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.

The classification of two-loop integrand basis in pure four-dimension

NASA Astrophysics Data System (ADS)

Feng, Bo; Huang, Rijun

2013-02-01

In this paper, we have made the attempt to classify the integrand basis of all two-loop diagrams in pure four-dimensional space-time. The first step of our classification is to determine all different topologies of two-loop diagrams, i.e., the structure of denominators. The second step is to determine the set of independent numerators for each topology using Gröbner basis method. For the second step, varieties defined by putting all propagators on-shell has played an important role. We discuss the structures of varieties and how they split to various irreducible branches under specific kinematic configurations of external momenta. The structures of varieties are crucial to determine coefficients of integrand basis in reduction both numerically or analytically.

Numerical simulations of three-dimensional laminar flow over a backward facing step; flow near side walls

NASA Technical Reports Server (NTRS)

Steinthorsson, Erlendur; Liou, Meng-Sing; Povinelli, Louis A.; Arnone, Andrea

1993-01-01

This paper reports the results of numerical simulations of steady, laminar flow over a backward-facing step. The governing equations used in the simulations are the full 'compressible' Navier-Stokes equations, solutions to which were computed by using a cell-centered, finite volume discretization. The convection terms of the governing equations were discretized by using the Advection Upwind Splitting Method (AUSM), whereas the diffusion terms were discretized using central differencing formulas. The validity and accuracy of the numerical solutions were verified by comparing the results to existing experimental data for flow at identical Reynolds numbers in the same back step geometry. The paper focuses attention on the details of the flow field near the side wall of the geometry.

On kinetic modelling for solar redox thermochemical H2O and CO2 splitting over NiFe2O4 for H2, CO and syngas production.

PubMed

Dimitrakis, Dimitrios A; Syrigou, Maria; Lorentzou, Souzana; Kostoglou, Margaritis; Konstandopoulos, Athanasios G

2017-10-11

This study aims at developing a kinetic model that can adequately describe solar thermochemical water and carbon dioxide splitting with nickel ferrite powder as the active redox material. The kinetic parameters of water splitting of a previous study are revised to include transition times and new kinetic parameters for carbon dioxide splitting are developed. The computational results show a satisfactory agreement with experimental data and continuous multicycle operation under varying operating conditions is simulated. Different test cases are explored in order to improve the product yield. At first a parametric analysis is conducted, investigating the appropriate duration of the oxidation and the thermal reduction step that maximizes the hydrogen yield. Subsequently, a non-isothermal oxidation step is simulated and proven as an interesting option for increasing the hydrogen production. The kinetic model is adapted to simulate the production yields in structured solar reactor components, i.e. extruded monolithic structures, as well.

Momentum Advection on a Staggered Mesh

NASA Astrophysics Data System (ADS)

Benson, David J.

1992-05-01

Eulerian and ALE (arbitrary Lagrangian-Eulerian) hydrodynamics programs usually split a timestep into two parts. The first part is a Lagrangian step, which calculates the incremental motion of the material. The second part is referred to as the Eulerian step, the advection step, or the remap step, and it accounts for the transport of material between cells. In most finite difference and finite element formulations, all the solution variables except the velocities are cell-centered while the velocities are edge- or vertex-centered. As a result, the advection algorithm for the momentum is, by necessity, different than the algorithm used for the other variables. This paper reviews three momentum advection methods and proposes a new one. One method, pioneered in YAQUI, creates a new staggered mesh, while the other two, used in SALE and SHALE, are cell-centered. The new method is cell-centered and its relationship to the other methods is discussed. Both pure advection and strong shock calculations are presented to substantiate the mathematical analysis. From the standpoint of numerical accuracy, both the staggered mesh and the cell-centered algorithms can give good results, while the computational costs are highly dependent on the overall architecture of a code.

An analytical SMASH procedure (ASP) for sensitivity-encoded MRI.

PubMed

Lee, R F; Westgate, C R; Weiss, R G; Bottomley, P A

2000-05-01

The simultaneous acquisition of spatial harmonics (SMASH) method of imaging with detector arrays can reduce the number of phase-encoding steps, and MRI scan time several-fold. The original approach utilized numerical gradient-descent fitting with the coil sensitivity profiles to create a set of composite spatial harmonics to replace the phase-encoding steps. Here, an analytical approach for generating the harmonics is presented. A transform is derived to project the harmonics onto a set of sensitivity profiles. A sequence of Fourier, Hilbert, and inverse Fourier transform is then applied to analytically eliminate spatially dependent phase errors from the different coils while fully preserving the spatial-encoding. By combining the transform and phase correction, the original numerical image reconstruction method can be replaced by an analytical SMASH procedure (ASP). The approach also allows simulation of SMASH imaging, revealing a criterion for the ratio of the detector sensitivity profile width to the detector spacing that produces optimal harmonic generation. When detector geometry is suboptimal, a group of quasi-harmonics arises, which can be corrected and restored to pure harmonics. The simulation also reveals high-order harmonic modulation effects, and a demodulation procedure is presented that enables application of ASP to a large numbers of detectors. The method is demonstrated on a phantom and humans using a standard 4-channel phased-array MRI system. Copyright 2000 Wiley-Liss, Inc.

Analysis of aircraft tires via semianalytic finite elements

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Kim, Kyun O.; Tanner, John A.

1990-01-01

A computational procedure is presented for the geometrically nonlinear analysis of aircraft tires. The tire was modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The four key elements of the procedure are: (1) semianalytic finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynomials in the meridional direction; (2) a mixed formulation with the fundamental unknowns consisting of strain parameters, stress-resultant parameters, and generalized displacements; (3) multilevel operator splitting to effect successive simplifications, and to uncouple the equations associated with different Fourier harmonics; and (4) multilevel iterative procedures and reduction techniques to generate the response of the shell.

A Novel Walking Detection and Step Counting Algorithm Using Unconstrained Smartphones.

PubMed

Kang, Xiaomin; Huang, Baoqi; Qi, Guodong

2018-01-19

Recently, with the development of artificial intelligence technologies and the popularity of mobile devices, walking detection and step counting have gained much attention since they play an important role in the fields of equipment positioning, saving energy, behavior recognition, etc. In this paper, a novel algorithm is proposed to simultaneously detect walking motion and count steps through unconstrained smartphones in the sense that the smartphone placement is not only arbitrary but also alterable. On account of the periodicity of the walking motion and sensitivity of gyroscopes, the proposed algorithm extracts the frequency domain features from three-dimensional (3D) angular velocities of a smartphone through FFT (fast Fourier transform) and identifies whether its holder is walking or not irrespective of its placement. Furthermore, the corresponding step frequency is recursively updated to evaluate the step count in real time. Extensive experiments are conducted by involving eight subjects and different walking scenarios in a realistic environment. It is shown that the proposed method achieves the precision of 93.76 % and recall of 93.65 % for walking detection, and its overall performance is significantly better than other well-known methods. Moreover, the accuracy of step counting by the proposed method is 95.74 % , and is better than both of the several well-known counterparts and commercial products.

Attosecond twin-pulse control by generalized kinetic heterodyne mixing.

PubMed

Raith, Philipp; Ott, Christian; Pfeifer, Thomas

2011-01-15

Attosecond double-pulse (twin-pulse) production in high-order harmonic generation is manipulated by a combination of two-color and carrier-envelope phase-control methods. As we show in numerical simulations, both relative amplitude and phase of the double pulse can be independently set by making use of multidimensional parameter control. Two technical implementation routes are discussed: kinetic heterodyning using second-harmonic generation and split-spectrum phase-step control.

Efficient algorithm for baseline wander and powerline noise removal from ECG signals based on discrete Fourier series.

PubMed

Bahaz, Mohamed; Benzid, Redha

2018-03-01

Electrocardiogram (ECG) signals are often contaminated with artefacts and noises which can lead to incorrect diagnosis when they are visually inspected by cardiologists. In this paper, the well-known discrete Fourier series (DFS) is re-explored and an efficient DFS-based method is proposed to reduce contribution of both baseline wander (BW) and powerline interference (PLI) noises in ECG records. In the first step, the determination of the exact number of low frequency harmonics contributing in BW is achieved. Next, the baseline drift is estimated by the sum of all associated Fourier sinusoids components. Then, the baseline shift is discarded efficiently by a subtraction of its approximated version from the original biased ECG signal. Concerning the PLI, the subtraction of the contributing harmonics calculated in the same manner reduces efficiently such type of noise. In addition of visual quality results, the proposed algorithm shows superior performance in terms of higher signal-to-noise ratio and smaller mean square error when faced to the DCT-based algorithm.

A multiple-block multigrid method for the solution of the three-dimensional Euler and Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Atkins, Harold

1991-01-01

A multiple block multigrid method for the solution of the three dimensional Euler and Navier-Stokes equations is presented. The basic flow solver is a cell vertex method which employs central difference spatial approximations and Runge-Kutta time stepping. The use of local time stepping, implicit residual smoothing, multigrid techniques and variable coefficient numerical dissipation results in an efficient and robust scheme is discussed. The multiblock strategy places the block loop within the Runge-Kutta Loop such that accuracy and convergence are not affected by block boundaries. This has been verified by comparing the results of one and two block calculations in which the two block grid is generated by splitting the one block grid. Results are presented for both Euler and Navier-Stokes computations of wing/fuselage combinations.

Brain vascular image enhancement based on gradient adjust with split Bregman

NASA Astrophysics Data System (ADS)

Liang, Xiao; Dong, Di; Hui, Hui; Zhang, Liwen; Fang, Mengjie; Tian, Jie

2016-04-01

Light Sheet Microscopy is a high-resolution fluorescence microscopic technique which enables to observe the mouse brain vascular network clearly with immunostaining. However, micro-vessels are stained with few fluorescence antibodies and their signals are much weaker than large vessels, which make micro-vessels unclear in LSM images. In this work, we developed a vascular image enhancement method to enhance micro-vessel details which should be useful for vessel statistics analysis. Since gradient describes the edge information of the vessel, the main idea of our method is to increase the gradient values of the enhanced image to improve the micro-vessels contrast. Our method contained two steps: 1) calculate the gradient image of LSM image, and then amplify high gradient values of the original image to enhance the vessel edge and suppress low gradient values to remove noises. Then we formulated a new L1-norm regularization optimization problem to find an image with the expected gradient while keeping the main structure information of the original image. 2) The split Bregman iteration method was used to deal with the L1-norm regularization problem and generate the final enhanced image. The main advantage of the split Bregman method is that it has both fast convergence and low memory cost. In order to verify the effectiveness of our method, we applied our method to a series of mouse brain vascular images acquired from a commercial LSM system in our lab. The experimental results showed that our method could greatly enhance micro-vessel edges which were unclear in the original images.

Speckle reduction in optical coherence tomography using two-step iteration method (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wang, Xianghong; Liu, Xinyu; Wang, Nanshuo; Yu, Xiaojun; Bo, En; Chen, Si; Liu, Linbo

2017-02-01

Optical coherence tomography (OCT) provides high resolution and cross-sectional images of biological tissue and is widely used for diagnosis of ocular diseases. However, OCT images suffer from speckle noise, which typically considered as multiplicative noise in nature, reducing the image resolution and contrast. In this study, we propose a two-step iteration (TSI) method to suppress those noises. We first utilize augmented Lagrange method to recover a low-rank OCT image and remove additive Gaussian noise, and then employ the simple and efficient split Bregman method to solve the Total-Variation Denoising model. We validated such proposed method using images of swine, rabbit and human retina. Results demonstrate that our TSI method outperforms the other popular methods in achieving higher peak signal-to-noise ratio (PSNR) and structure similarity (SSIM) while preserving important structural details, such as tiny capillaries and thin layers in retinal OCT images. In addition, the results of our TSI method show clearer boundaries and maintains high image contrast, which facilitates better image interpretations and analyses.

Fourier transform infrared characterization of the acidic phosphoric extractant system containing lanthanide

NASA Astrophysics Data System (ADS)

Shen, Y.-H.; Yao, S.-K.; Wang, D.-J.; Zhou, Weijin; Li, Ying Xue; Peng, Q.; Wu, JinGuang; Xu, Guang-Xian

1994-01-01

The aggregation states and FTIR spectra of the extractive organic phases of saponified HDEHP [di(2-ethylhexyl) phosphoric acid] (1). DMHPA [di(1-methylheptyl) phosphoric acid] (2) and (HDEHP + DMHPA) (3) containing lanthanides were studied, respectively. Transparent solution formed in system (1) while transparent gel formed in system (2) when the loading of lanthanides was more than 50%. The aggregation state of system (3) depends on the molar ratio of HDEHP:DMHPA and the loading percentage of lanthanide. From their FTIR spectra, it can be seen that the P equals O band of gel split into 1164, 1199, and 1232 cm-1, and the P-O-C band split into 1015, 1076, and 1083 cm-1 as well. The results suggested that the aggregation state of lanthanide complex changes considerably in the three systems, and multiple coordination states of p equals o with lanthanide result in the band split. Multiple interactions between P equals O, P-O-C and lanthanide ions form 3-D network in the gel.

Rapid and precise determination of zero-field splittings by terahertz time-domain electron paramagnetic resonance spectroscopy† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc00830a Click here for additional data file.

PubMed Central

Lu, Jian; Ozel, I. Ozge; Belvin, Carina A.; Li, Xian; Skorupskii, Grigorii; Sun, Lei; Ofori-Okai, Benjamin K.; Dincă, Mircea; Gedik, Nuh

2017-01-01

Zero-field splitting (ZFS) parameters are fundamentally tied to the geometries of metal ion complexes. Despite their critical importance for understanding the magnetism and spectroscopy of metal complexes, they are not routinely available through general laboratory-based techniques, and are often inferred from magnetism data. Here we demonstrate a simple tabletop experimental approach that enables direct and reliable determination of ZFS parameters in the terahertz (THz) regime. We report time-domain measurements of electron paramagnetic resonance (EPR) signals associated with THz-frequency ZFSs in molecular complexes containing high-spin transition-metal ions. We measure the temporal profiles of the free-induction decays of spin resonances in the complexes at zero and nonzero external magnetic fields, and we derive the EPR spectra via numerical Fourier transformation of the time-domain signals. In most cases, absolute values of the ZFS parameters are extracted from the measured zero-field EPR frequencies, and the signs can be determined by zero-field measurements at two different temperatures. Field-dependent EPR measurements further allow refined determination of the ZFS parameters and access to the g-factor. The results show good agreement with those obtained by other methods. The simplicity of the method portends wide applicability in chemistry, biology and material science. PMID:29163882

Symplectic Propagation of the Map, Tangent Map and Tangent Map Derivative through Quadrupole and Combined-Function Dipole Magnets without Truncation

NASA Astrophysics Data System (ADS)

Bruhwiler, D. L.; Cary, J. R.; Shasharina, S.

1998-04-01

The MAPA accelerator modeling code symplectically advances the full nonlinear map, tangent map and tangent map derivative through all accelerator elements. The tangent map and its derivative are nonlinear generalizations of Browns first- and second-order matrices(K. Brown, SLAC-75, Rev. 4 (1982), pp. 107-118.), and they are valid even near the edges of the dynamic aperture, which may be beyond the radius of convergence for a truncated Taylor series. In order to avoid truncation of the map and its derivatives, the Hamiltonian is split into pieces for which the map can be obtained analytically. Yoshidas method(H. Yoshida, Phys. Lett. A 150 (1990), pp. 262-268.) is then used to obtain a symplectic approximation to the map, while the tangent map and its derivative are appropriately composed at each step to obtain them with equal accuracy. We discuss our splitting of the quadrupole and combined-function dipole Hamiltonians and show that typically few steps are required for a high-energy accelerator.

Analysis of Preconditioning and Relaxation Operators for the Discontinuous Galerkin Method Applied to Diffusion

NASA Technical Reports Server (NTRS)

Atkins, H. L.; Shu, Chi-Wang

2001-01-01

The explicit stability constraint of the discontinuous Galerkin method applied to the diffusion operator decreases dramatically as the order of the method is increased. Block Jacobi and block Gauss-Seidel preconditioner operators are examined for their effectiveness at accelerating convergence. A Fourier analysis for methods of order 2 through 6 reveals that both preconditioner operators bound the eigenvalues of the discrete spatial operator. Additionally, in one dimension, the eigenvalues are grouped into two or three regions that are invariant with order of the method. Local relaxation methods are constructed that rapidly damp high frequencies for arbitrarily large time step.

Construction of super - hydrophobic copper alloy surface by one - step mixed solution immersion method

NASA Astrophysics Data System (ADS)

Gu, Qiang; Chen, Ying; Chen, Dong; Zhang, Zeting

2018-01-01

This paper presents a method for preparing a super hydrophobic surface with a fast, simple, low-cost, one-step reaction by immersing copper alloy in an ethanol solution containing silver nitrate and myristic acid. The effects of reaction time, reaction temperature, reactant concentration and reaction time on the wettability of the material were studied. The surface wettability, appearance, chemical composition, durability and chemical stability of the prepared samples was measured by water contact angle (CA), scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR). The results show that when the reaction time is only 10min, the surface WCA of the prepared material can reach 154.9. This study provides an effective method for the rapid preparation of stable super hydrophobic surfaces.

Pretreatment of Cellulose By Electron Beam Irradiation Method

NASA Astrophysics Data System (ADS)

Jusri, N. A. A.; Azizan, A.; Ibrahim, N.; Salleh, R. Mohd; Rahman, M. F. Abd

2018-05-01

Pretreatment process of lignocellulosic biomass (LCB) to produce biofuel has been conducted by using various methods including physical, chemical, physicochemical as well as biological. The conversion of bioethanol process typically involves several steps which consist of pretreatment, hydrolysis, fermentation and separation. In this project, microcrystalline cellulose (MCC) was used in replacement of LCB since cellulose has the highest content of LCB for the purpose of investigating the effectiveness of new pretreatment method using radiation technology. Irradiation with different doses (100 kGy to 1000 kGy) was conducted by using electron beam accelerator equipment at Agensi Nuklear Malaysia. Fourier Transform Infrared Spectroscopy (FTIR) and X-Ray Diffraction (XRD) analyses were studied to further understand the effect of the suggested pretreatment step to the content of MCC. Through this method namely IRR-LCB, an ideal and optimal condition for pretreatment prior to the production of biofuel by using LCB may be introduced.

Scattering Matrix Elements for the Nonadiabatic Collision

DTIC Science & Technology

2010-12-01

orthogonality relationship expressed in (77). This technique, known as the Channel Packet Method (CPM), is laid out by Weeks and Tannor [2...time and energy are Fourier transform pairs, and share the same relationship as the coordinate/momentum pairs: max min 2E t t π ∆ = − (99) As...elements, will exibit ringing. Selection of an inappropriatly large time step introduces an erroneous phase shift in the correlation funtion . This

A MEMS and agile optics-based dual-mode variable optical power splitter with no moving parts

NASA Astrophysics Data System (ADS)

Khwaja, Tariq S.; Suleman, Hamid; Reza, Syed Azer

2017-06-01

In this paper, we present a novel design of an optical power splitter. Owing to the inherent variable power split ratios that the proposed design delivers, it is ideal for use in communications, sensing and signal processing applications where variable power splitting is often quintessential. The proposed power splitter module is dual mode as it combines the use of a Micro-Electro-Mechanical Systems (MEMS) based Digital Micro-mirror Device (DMD) and an Electronically Controlled Tunable Lens (ECTL) to split the power of an input optical signal between two output ports - the designated port and the surplus port. The use of a reflective Digital Spatial Light Modulator (DSLM) such as the DMD provides a motion-free digital control of the split ratio between the two output ports. Although the digital step between two possible successive split ratios can be fairly minimal with the use of a high resolution DMD but it is a challenge to correctly ascertain the exact image pattern on the DMD to obtain any desired specific split ratio. To counter this challenge, we propose the synchronized use of a circular pattern on the DMD, which serves as a circular clear aperture with a tunable radius, and an ECTL. The radius of the circular pattern on the DMD provides a digital control of the split ratio between the two ports whereas the ECTL, depending on its controller, can provide either an analog or a digital control by altering the beam radius which is incident at the DMD circular pattern. The radius of the circular pattern on the DMD can be minimally changed by one micro-pixel thickness. Setting the radius of the circular pattern on the DMD to an appropriate value provides the closest "ball-park" split ratio whereas further tuning the ECTL aids in slightly altering from this digitally set value to obtain the exact desired split ratio in-between any two digitally-set successive split ratios that correspond to any clear aperture radius of the DMD pattern and its incremental minimal allowable change of one micropixel. We provide a detailed scheme to calculate the desired DMD aperture radius as well as the focal length setting of the ECTL to obtain any given split ratio. By setting tolerance limits on the split ratio, we also show that our method affords diversity by providing multiple possible solutions to achieve a desired optical power split ratio within the specified tolerances. We also demonstrate the validation of the proposed concept with initial experimental results and discussions. These experimental results show a repeatable splitter operation and the resulting power split ratios according to the theoretical predictions. With the experimental data, we also demonstrate the effectiveness of the method in obtaining any particular split ratio through different DMD and ECTL configurations with specific split ratio tolerance values.

A stable and high-order accurate discontinuous Galerkin based splitting method for the incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Piatkowski, Marian; Müthing, Steffen; Bastian, Peter

2018-03-01

In this paper we consider discontinuous Galerkin (DG) methods for the incompressible Navier-Stokes equations in the framework of projection methods. In particular we employ symmetric interior penalty DG methods within the second-order rotational incremental pressure correction scheme. The major focus of the paper is threefold: i) We propose a modified upwind scheme based on the Vijayasundaram numerical flux that has favourable properties in the context of DG. ii) We present a novel postprocessing technique in the Helmholtz projection step based on H (div) reconstruction of the pressure correction that is computed locally, is a projection in the discrete setting and ensures that the projected velocity satisfies the discrete continuity equation exactly. As a consequence it also provides local mass conservation of the projected velocity. iii) Numerical results demonstrate the properties of the scheme for different polynomial degrees applied to two-dimensional problems with known solution as well as large-scale three-dimensional problems. In particular we address second-order convergence in time of the splitting scheme as well as its long-time stability.

Experimental verification of multilevel spatial pattern generation from binary data page with four-step phase pattern (Conference Presentation)

NASA Astrophysics Data System (ADS)

Barada, Daisuke; Yatagai, Toyohiko

2016-09-01

Holographic memory is expected for cold storage because of the features of huge data capacity, high data transfer rate, and long life time. In holographic memory, a signal beam is modulated by a spatial light modulator according to data pages. The recording density is dependent on information amount per pixel in a data page. However, a binary spatial light modulator is used to realize high data transfer rate in general. In our previous study, an optical conversion method from binary data to multilevel data has been proposed. In this paper, the principle of the method is experimentally verified. In the proposed method, a data page consists of symbols with 2x2 pixels and a four-step phase mask is used. Then, the complex amplitudes of four pixels in a symbol become positive real, positive imaginary, negative real, and negative imaginary values, respectively. A square pixel pattern is spread by spatial frequency filtering with a square aperture in a Fourier plane. When the aperture size is too small, the complex amplitude of four pixels in a symbol is superposed and a symbol is regarded as a pixel with a complex number. In this work, a data page pattern with a four-step phase pattern was generated by using a computer-generated circular polarization hologram (CGCPH). The CGCPH was prepared by electron beam lithography. The page data pattern is Fourier transformed by a lens and spatially filtered by a variable rectangular aperture. The complex amplitude of the spatial filtered data page pattern was measured by digital holography and the principle was experimentally verified.

Solar Water Splitting at λ=600 nm: A Step Closer to Sustainable Hydrogen Production.

PubMed

Zhang, Jinshui; Wang, Xinchen

2015-06-15

Overall water splitting with a semiconductor photocatalyst under visible-light irradiation is considered as a "dream reaction" in chemistry. The development of a 600 nm photocatalyst for solar water splitting highlighted here is not only an important milestone towards sustainable hydrogen production, but also a new starting point for artificial photosynthesis. STH=solar-to-hydrogen energy conversion efficiency. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Quantitative analysis of red wine tannins using Fourier-transform mid-infrared spectrometry.

PubMed

Fernandez, Katherina; Agosin, Eduardo

2007-09-05

Tannin content and composition are critical quality components of red wines. No spectroscopic method assessing these phenols in wine has been described so far. We report here a new method using Fourier transform mid-infrared (FT-MIR) spectroscopy and chemometric techniques for the quantitative analysis of red wine tannins. Calibration models were developed using protein precipitation and phloroglucinolysis as analytical reference methods. After spectra preprocessing, six different predictive partial least-squares (PLS) models were evaluated, including the use of interval selection procedures such as iPLS and CSMWPLS. PLS regression with full-range (650-4000 cm(-1)), second derivative of the spectra and phloroglucinolysis as the reference method gave the most accurate determination for tannin concentration (RMSEC = 2.6%, RMSEP = 9.4%, r = 0.995). The prediction of the mean degree of polymerization (mDP) of the tannins also gave a reasonable prediction (RMSEC = 6.7%, RMSEP = 10.3%, r = 0.958). These results represent the first step in the development of a spectroscopic methodology for the quantification of several phenolic compounds that are critical for wine quality.

Locating the Discontinuities of a Bounded Function by the Partial Sums of its Fourier Series I: Periodical Case

NASA Technical Reports Server (NTRS)

Kvernadze, George; Hagstrom,Thomas; Shapiro, Henry

1997-01-01

A key step for some methods dealing with the reconstruction of a function with jump discontinuities is the accurate approximation of the jumps and their locations. Various methods have been suggested in the literature to obtain this valuable information. In the present paper, we develop an algorithm based on identities which determine the jumps of a 2(pi)-periodic bounded not-too-highly oscillating function by the partial sums of its differentiated Fourier series. The algorithm enables one to approximate the locations of discontinuities and the magnitudes of jumps of a bounded function. We study the accuracy of approximation and establish asymptotic expansions for the approximations of a 27(pi)-periodic piecewise smooth function with one discontinuity. By an appropriate linear combination, obtained via derivatives of different order, we significantly improve the accuracy. Next, we use Richardson's extrapolation method to enhance the accuracy even more. For a function with multiple discontinuities we establish simple formulae which "eliminate" all discontinuities of the function but one. Then we treat the function as if it had one singularity following the method described above.

Sensing cocaine in saliva with attenuated total reflection infrared (ATR-IR) spectroscopy combined with a one-step extraction method

NASA Astrophysics Data System (ADS)

Hans, Kerstin M.-C.; Gianella, Michele; Sigrist, Markus W.

2012-03-01

On-site drug tests have gained importance, e.g., for protecting the society from impaired drivers. Since today's drug tests are majorly only positive/negative, there is a great need for a reliable, portable and preferentially quantitative drug test. In the project IrSens we aim to bridge this gap with the development of an optical sensor platform based on infrared spectroscopy and focus on cocaine detection in saliva. We combine a one-step extraction method, a sample drying technique and infrared attenuated total reflection (ATR) spectroscopy. As a first step we have developed an extraction technique that allows us to extract cocaine from saliva to an almost infrared-transparent solvent and to record ATR spectra with a commercially available Fourier Transform-infrared spectrometer. To the best of our knowledge this is the first time that such a simple and easy-to-use one-step extraction method is used to transfer cocaine from saliva into an organic solvent and detect it quantitatively. With this new method we are able to reach a current limit of detection around 10 μg/ml. This new extraction method could also be applied to waste water monitoring and controlling caffeine content in beverages.

Broadband non-polarizing terahertz beam splitters with variable split ratio

NASA Astrophysics Data System (ADS)

Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

2017-08-01

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Efficient generation of H2 by splitting water with an isothermal redox cycle.

PubMed

Muhich, Christopher L; Evanko, Brian W; Weston, Kayla C; Lichty, Paul; Liang, Xinhua; Martinek, Janna; Musgrave, Charles B; Weimer, Alan W

2013-08-02

Solar thermal water-splitting (STWS) cycles have long been recognized as a desirable means of generating hydrogen gas (H2) from water and sunlight. Two-step, metal oxide-based STWS cycles generate H2 by sequential high-temperature reduction and water reoxidation of a metal oxide. The temperature swings between reduction and oxidation steps long thought necessary for STWS have stifled STWS's overall efficiency because of thermal and time losses that occur during the frequent heating and cooling of the metal oxide. We show that these temperature swings are unnecessary and that isothermal water splitting (ITWS) at 1350°C using the "hercynite cycle" exhibits H2 production capacity >3 and >12 times that of hercynite and ceria, respectively, per mass of active material when reduced at 1350°C and reoxidized at 1000°C.

Finite element solution of nonlinear eddy current problems with periodic excitation and its industrial applications☆

PubMed Central

Bíró, Oszkár; Koczka, Gergely; Preis, Kurt

2014-01-01

An efficient finite element method to take account of the nonlinearity of the magnetic materials when analyzing three-dimensional eddy current problems is presented in this paper. The problem is formulated in terms of vector and scalar potentials approximated by edge and node based finite element basis functions. The application of Galerkin techniques leads to a large, nonlinear system of ordinary differential equations in the time domain. The excitations are assumed to be time-periodic and the steady-state periodic solution is of interest only. This is represented either in the frequency domain as a finite Fourier series or in the time domain as a set of discrete time values within one period for each finite element degree of freedom. The former approach is the (continuous) harmonic balance method and, in the latter one, discrete Fourier transformation will be shown to lead to a discrete harmonic balance method. Due to the nonlinearity, all harmonics, both continuous and discrete, are coupled to each other. The harmonics would be decoupled if the problem were linear, therefore, a special nonlinear iteration technique, the fixed-point method is used to linearize the equations by selecting a time-independent permeability distribution, the so-called fixed-point permeability in each nonlinear iteration step. This leads to uncoupled harmonics within these steps. As industrial applications, analyses of large power transformers are presented. The first example is the computation of the electromagnetic field of a single-phase transformer in the time domain with the results compared to those obtained by traditional time-stepping techniques. In the second application, an advanced model of the same transformer is analyzed in the frequency domain by the harmonic balance method with the effect of the presence of higher harmonics on the losses investigated. Finally a third example tackles the case of direct current (DC) bias in the coils of a single-phase transformer. PMID:24829517

Finite element solution of nonlinear eddy current problems with periodic excitation and its industrial applications.

PubMed

Bíró, Oszkár; Koczka, Gergely; Preis, Kurt

2014-05-01

An efficient finite element method to take account of the nonlinearity of the magnetic materials when analyzing three-dimensional eddy current problems is presented in this paper. The problem is formulated in terms of vector and scalar potentials approximated by edge and node based finite element basis functions. The application of Galerkin techniques leads to a large, nonlinear system of ordinary differential equations in the time domain. The excitations are assumed to be time-periodic and the steady-state periodic solution is of interest only. This is represented either in the frequency domain as a finite Fourier series or in the time domain as a set of discrete time values within one period for each finite element degree of freedom. The former approach is the (continuous) harmonic balance method and, in the latter one, discrete Fourier transformation will be shown to lead to a discrete harmonic balance method. Due to the nonlinearity, all harmonics, both continuous and discrete, are coupled to each other. The harmonics would be decoupled if the problem were linear, therefore, a special nonlinear iteration technique, the fixed-point method is used to linearize the equations by selecting a time-independent permeability distribution, the so-called fixed-point permeability in each nonlinear iteration step. This leads to uncoupled harmonics within these steps. As industrial applications, analyses of large power transformers are presented. The first example is the computation of the electromagnetic field of a single-phase transformer in the time domain with the results compared to those obtained by traditional time-stepping techniques. In the second application, an advanced model of the same transformer is analyzed in the frequency domain by the harmonic balance method with the effect of the presence of higher harmonics on the losses investigated. Finally a third example tackles the case of direct current (DC) bias in the coils of a single-phase transformer.

A method to improve the range resolution in stepped frequency continuous wave radar

NASA Astrophysics Data System (ADS)

Kaczmarek, Paweł

2018-04-01

In the paper one of high range resolution methods - Aperture Sampling - was analysed. Unlike MUSIC based techniques it proved to be very efficient in terms of achieving unambiguous synthetic range profile for ultra-wideband stepped frequency continuous wave radar. Assuming that minimal distance required to separate two targets in depth (distance) corresponds to -3 dB width of received echo, AS provided a 30,8 % improvement in range resolution in analysed scenario, when compared to results of applying IFFT. Output data is far superior in terms of both improved range resolution and reduced side lobe level than used typically in this area Inverse Fourier Transform. Furthermore it does not require prior knowledge or an estimate of number of targets to be detected in a given scan.

Nonlinear Conservation Laws and Finite Volume Methods

NASA Astrophysics Data System (ADS)

Leveque, Randall J.

Introduction Software Notation Classification of Differential Equations Derivation of Conservation Laws The Euler Equations of Gas Dynamics Dissipative Fluxes Source Terms Radiative Transfer and Isothermal Equations Multi-dimensional Conservation Laws The Shock Tube Problem Mathematical Theory of Hyperbolic Systems Scalar Equations Linear Hyperbolic Systems Nonlinear Systems The Riemann Problem for the Euler Equations Numerical Methods in One Dimension Finite Difference Theory Finite Volume Methods Importance of Conservation Form - Incorrect Shock Speeds Numerical Flux Functions Godunov's Method Approximate Riemann Solvers High-Resolution Methods Other Approaches Boundary Conditions Source Terms and Fractional Steps Unsplit Methods Fractional Step Methods General Formulation of Fractional Step Methods Stiff Source Terms Quasi-stationary Flow and Gravity Multi-dimensional Problems Dimensional Splitting Multi-dimensional Finite Volume Methods Grids and Adaptive Refinement Computational Difficulties Low-Density Flows Discrete Shocks and Viscous Profiles Start-Up Errors Wall Heating Slow-Moving Shocks Grid Orientation Effects Grid-Aligned Shocks Magnetohydrodynamics The MHD Equations One-Dimensional MHD Solving the Riemann Problem Nonstrict Hyperbolicity Stiffness The Divergence of B Riemann Problems in Multi-dimensional MHD Staggered Grids The 8-Wave Riemann Solver Relativistic Hydrodynamics Conservation Laws in Spacetime The Continuity Equation The 4-Momentum of a Particle The Stress-Energy Tensor Finite Volume Methods Multi-dimensional Relativistic Flow Gravitation and General Relativity References

A fully 3D approach for metal artifact reduction in computed tomography.

PubMed

Kratz, Barbel; Weyers, Imke; Buzug, Thorsten M

2012-11-01

In computed tomography imaging metal objects in the region of interest introduce inconsistencies during data acquisition. Reconstructing these data leads to an image in spatial domain including star-shaped or stripe-like artifacts. In order to enhance the quality of the resulting image the influence of the metal objects can be reduced. Here, a metal artifact reduction (MAR) approach is proposed that is based on a recomputation of the inconsistent projection data using a fully three-dimensional Fourier-based interpolation. The success of the projection space restoration depends sensitively on a sensible continuation of neighboring structures into the recomputed area. Fortunately, structural information of the entire data is inherently included in the Fourier space of the data. This can be used for a reasonable recomputation of the inconsistent projection data. The key step of the proposed MAR strategy is the recomputation of the inconsistent projection data based on an interpolation using nonequispaced fast Fourier transforms (NFFT). The NFFT interpolation can be applied in arbitrary dimension. The approach overcomes the problem of adequate neighborhood definitions on irregular grids, since this is inherently given through the usage of higher dimensional Fourier transforms. Here, applications up to the third interpolation dimension are presented and validated. Furthermore, prior knowledge may be included by an appropriate damping of the transform during the interpolation step. This MAR method is applicable on each angular view of a detector row, on two-dimensional projection data as well as on three-dimensional projection data, e.g., a set of sequential acquisitions at different spatial positions, projection data of a spiral acquisition, or cone-beam projection data. Results of the novel MAR scheme based on one-, two-, and three-dimensional NFFT interpolations are presented. All results are compared in projection data space and spatial domain with the well-known one-dimensional linear interpolation strategy. In conclusion, it is recommended to include as much spatial information into the recomputation step as possible. This is realized by increasing the dimension of the NFFT. The resulting image quality can be enhanced considerably.

Phase control of a Zeeman-split He-Ne gas laser by variation of the gaseous discharge voltage.

PubMed

Shelton, W N; Hunt, R H

1992-07-20

Zeeman-split lasers are useful for precise positioning or motion control. In applications that employ such a laser to control closely the position of a moving system, phase noise in the Zeeman frequency is a serious problem. Control of low-frequency phase noise can be obtained through variation of the external magnetic field by way of a solenoid wound around the laser tube. It is the finding in this work that control of the residual higher-frequency noise of a He-Ne laser can be obtained through small variations of the high voltage that is used to effect the gaseous discharge in the laser tube. The application of the present system is to the control of the path difference in a Fourier-transform interferometric spectrometer.

Review of the Two-Step H2O/CO2-Splitting Solar Thermochemical Cycle Based on Zn/ZnO Redox Reactions

PubMed Central

Loutzenhiser, Peter G.; Meier, Anton; Steinfeld, Aldo

2010-01-01

This article provides a comprehensive overview of the work to date on the two‑step solar H2O and/or CO2 splitting thermochemical cycles with Zn/ZnO redox reactions to produce H2 and/or CO, i.e., synthesis gas—the precursor to renewable liquid hydrocarbon fuels. The two-step cycle encompasses: (1) The endothermic dissociation of ZnO to Zn and O2 using concentrated solar energy as the source for high-temperature process heat; and (2) the non-solar exothermic oxidation of Zn with H2O/CO2 to generate H2/CO, respectively; the resulting ZnO is then recycled to the first step. An outline of the underlying science and the technological advances in solar reactor engineering is provided along with life cycle and economic analyses. PMID:28883361

Range safety signal propagation through the SRM exhaust plume of the space shuttle

NASA Technical Reports Server (NTRS)

Boynton, F. P.; Davies, A. R.; Rajasekhar, P. S.; Thompson, J. A.

1977-01-01

Theoretical predictions of plume interference for the space shuttle range safety system by solid rocket booster exhaust plumes are reported. The signal propagation was calculated using a split operator technique based upon the Fresnel-Kirchoff integral, using fast Fourier transforms to evaluate the convolution and treating the plume as a series of absorbing and phase-changing screens. Talanov's lens transformation was applied to reduce aliasing problems caused by ray divergence.

Adaptive [theta]-methods for pricing American options

NASA Astrophysics Data System (ADS)

Khaliq, Abdul Q. M.; Voss, David A.; Kazmi, Kamran

2008-12-01

We develop adaptive [theta]-methods for solving the Black-Scholes PDE for American options. By adding a small, continuous term, the Black-Scholes PDE becomes an advection-diffusion-reaction equation on a fixed spatial domain. Standard implementation of [theta]-methods would require a Newton-type iterative procedure at each time step thereby increasing the computational complexity of the methods. Our linearly implicit approach avoids such complications. We establish a general framework under which [theta]-methods satisfy a discrete version of the positivity constraint characteristic of American options, and numerically demonstrate the sensitivity of the constraint. The positivity results are established for the single-asset and independent two-asset models. In addition, we have incorporated and analyzed an adaptive time-step control strategy to increase the computational efficiency. Numerical experiments are presented for one- and two-asset American options, using adaptive exponential splitting for two-asset problems. The approach is compared with an iterative solution of the two-asset problem in terms of computational efficiency.

Simple glucose reduction route for one-step synthesis of copper nanofluids

NASA Astrophysics Data System (ADS)

Shenoy, U. Sandhya; Shetty, A. Nityananda

2014-01-01

One-step method has been employed in the synthesis of copper nanofluids. Copper nitrate is reduced by glucose in the presence of sodium lauryl sulfate. The synthesized particles are characterized by X-ray diffraction technique for the phase structure; electron diffraction X-ray analysis for chemical composition; transmission electron microscopy and field emission scanning electron microscopy for the morphology; Fourier-transform infrared spectroscopy and ultraviolet-visible spectroscopy for the analysis of ingredients of the solution. Thermal conductivity, sedimentation and rheological measurements have also been carried out. It is found that the reaction parameters have considerable effect on the size of the particle formed and rate of the reaction. The techniques confirm that the synthesized particles are copper. The reported method showed promising increase in the thermal conductivity of the base fluid and is found to be reliable, simple and cost-effective method for preparing heat transfer fluids with higher stability.

A splitting integration scheme for the SPH simulation of concentrated particle suspensions

NASA Astrophysics Data System (ADS)

Bian, Xin; Ellero, Marco

2014-01-01

Simulating nearly contacting solid particles in suspension is a challenging task due to the diverging behavior of short-range lubrication forces, which pose a serious time-step limitation for explicit integration schemes. This general difficulty limits severely the total duration of simulations of concentrated suspensions. Inspired by the ideas developed in [S. Litvinov, M. Ellero, X.Y. Hu, N.A. Adams, J. Comput. Phys. 229 (2010) 5457-5464] for the simulation of highly dissipative fluids, we propose in this work a splitting integration scheme for the direct simulation of solid particles suspended in a Newtonian liquid. The scheme separates the contributions of different forces acting on the solid particles. In particular, intermediate- and long-range multi-body hydrodynamic forces, which are computed from the discretization of the Navier-Stokes equations using the smoothed particle hydrodynamics (SPH) method, are taken into account using an explicit integration; for short-range lubrication forces, velocities of pairwise interacting solid particles are updated implicitly by sweeping over all the neighboring pairs iteratively, until convergence in the solution is obtained. By using the splitting integration, simulations can be run stably and efficiently up to very large solid particle concentrations. Moreover, the proposed scheme is not limited to the SPH method presented here, but can be easily applied to other simulation techniques employed for particulate suspensions.

Global Analysis of a-, b-, and c-Type Transitions Involving Tunneling Components of K= 0 and 1 States of the Methanol Dimer

NASA Astrophysics Data System (ADS)

Lugez, C. L.; Lovas, F. J.; Hougen, J. T.; Ohashi, N.

1999-03-01

Spectral data onK= 0 and 1 levels of the methanol dimer available from previous and present Fourier transform microwave measurements have been interpreted globally, using a group-theoretically derived effective Hamiltonian and corresponding tunneling matrix elements to describe the splittings arising from a large number of tunneling motions. In the present work, 302 new measurements (40K= 1-1 and 262K= 1-0 transitions) were added to the previous data set to give a total of 584 assigned transitions withJ≤ 6. As a result of the rather completeK= 0, 1 data set forJ≤ 4, the lone-pair exchange tunneling splittings were obtained experimentally. Matrix element expansions inJ(J+ 1) used in the previousK= 0 formalism were modified to apply toK> 0, essentially by making a number of real coefficients complex, as required by the generalized internal-axis-method tunneling formalism. To reduce the number of adjustable parameters to an acceptable level in both theK= 0 andK= 1 effective Hamiltonians (used in separateK= 0 andK= 1 least-squares fits), a rather large number of assumptions concerning probably negligible parameters had to be made. The present fitting results should thus be considered as providing assurance of the group-theoretical line assignments as well as a nearly quantitative global interpretation of the tunneling splittings, even though they do not yet unambiguously determine the relative contributions from all 25 group-theoretically inequivalent tunneling motions in this complex, nor do they permit quantitative extrapolation to higherKlevels.

Influence of F- on stark splitting of Yb3+ and the thermal expansion of silica glass

NASA Astrophysics Data System (ADS)

Cao, Yabin; Chen, Si; Shao, Chongyun; Yu, Chunlei

2018-06-01

A local phosphate/fluoride environment of Yb3+ was created in silica glass using a multi-step method. The influence of F- on the Stark splitting of Yb3+ in Al3+/P5+/F- co-doped silica glass was studied at room-temperature, in addition to its effect on the thermal expansion performance of the glass matrix. The results indicate that Yb3+ ions in Al3+/P5+/F- co-doped silica glass have a larger Stark splitting energy of 2F7/2 compared to Al3+/P5+ co-doped silica glass. Moreover, a larger integrated absorption cross-section (34.58 pm2 × nm), stimulated emission cross-section (0.63 pm2), and better thermal expansion performance (1.3062 × 10-6 K- at 100 °C) are achieved in Al3+/P5+/F- co-doped silica glass. Finally, different function mechanisms of F- in silica and phosphate glasses were analyzed and the F-Si bond was used to explain the results in silica glass. The combination of low refractive index, large Stark splitting energy of 2F7/2, and small thermal expansion makes Al3+/P5+/F- co-doped silica glass a preferred material for large mode area fibers for high-power laser applications.

Experimental demonstration of a frequency-domain Volterra series nonlinear equalizer in polarization-multiplexed transmission.

PubMed

Guiomar, Fernando P; Reis, Jacklyn D; Carena, Andrea; Bosco, Gabriella; Teixeira, António L; Pinto, Armando N

2013-01-14

Employing 100G polarization-multiplexed quaternary phase-shift keying (PM-QPSK) signals, we experimentally demonstrate a dual-polarization Volterra series nonlinear equalizer (VSNE) applied in frequency-domain, to mitigate intra-channel nonlinearities. The performance of the dual-polarization VSNE is assessed in both single-channel and in wavelength-division multiplexing (WDM) scenarios, providing direct comparisons with its single-polarization version and with the widely studied back-propagation split-step Fourier (SSF) approach. In single-channel transmission, the optimum power has been increased by about 1 dB, relatively to the single-polarization equalizers, and up to 3 dB over linear equalization, with a corresponding bit error rate (BER) reduction of up to 63% and 85%, respectively. Despite of the impact of inter-channel nonlinearities, we show that intra-channel nonlinear equalization is still able to provide approximately 1 dB improvement in the optimum power and a BER reduction of ~33%, considering a 66 GHz WDM grid. By means of simulation, we demonstrate that the performance of nonlinear equalization can be substantially enhanced if both optical and electrical filtering are optimized, enabling the VSNE technique to outperform its SSF counterpart at high input powers.

Hierarchical honeycomb-like Co3O4 pores coating on CoMoO4 nanosheets as bifunctional efficient electrocatalysts for overall water splitting

NASA Astrophysics Data System (ADS)

Pei, Zhihao; Xu, Li; Xu, Wei

2018-03-01

Efficient electrocatalytic water splitting is one of the most effective ways to solve the global energy crisis. In this paper, we report on a novel self-assembled hierarchical structure of Co3O4/CoMoO4 grown in situ on a bare nickel foam. The unique, three-dimensional honeycomb-like Co3O4 pores were constructed from one-dimensional nanowires and coated on two-dimensional CoMoO4 nanosheets structures grown on nickel foam. The synthesis involved a step-wise solvothermal method followed by an annealing treatment. Benefiting from the synergistic effect of the hierarchical nanostructures, the materials had more reaction active sites and a smaller electron transfer impedance, and they exhibited excellent electrocatalytic performances for the HER and OER of 143 and 244 mV, respectively, at 10 mA cm-2 in an alkaline solution. Furthermore, the materials remained stable during the long electrolysis period, over 10 h, presenting promising application prospects in the field of electrocatalytic water splitting.

Research on Wide-field Imaging Technologies for Low-frequency Radio Array

NASA Astrophysics Data System (ADS)

Lao, B. Q.; An, T.; Chen, X.; Wu, X. C.; Lu, Y.

2017-09-01

Wide-field imaging of low-frequency radio telescopes are subject to a number of difficult problems. One particularly pernicious problem is the non-coplanar baseline effect. It will lead to distortion of the final image when the phase of w direction called w-term is ignored. The image degradation effects are amplified for telescopes with the wide field of view. This paper summarizes and analyzes several w-term correction methods and their technical principles. Their advantages and disadvantages have been analyzed after comparing their computational cost and computational complexity. We conduct simulations with two of these methods, faceting and w-projection, based on the configuration of the first-phase Square Kilometre Array (SKA) low frequency array. The resulted images are also compared with the two-dimensional Fourier transform method. The results show that image quality and correctness derived from both faceting and w-projection are better than the two-dimensional Fourier transform method in wide-field imaging. The image quality and run time affected by the number of facets and w steps have been evaluated. The results indicate that the number of facets and w steps must be reasonable. Finally, we analyze the effect of data size on the run time of faceting and w-projection. The results show that faceting and w-projection need to be optimized before the massive amounts of data processing. The research of the present paper initiates the analysis of wide-field imaging techniques and their application in the existing and future low-frequency array, and fosters the application and promotion to much broader fields.

Evaluation of Operating Time and Patient Perception Using Conventional Impression Taking and Intraoral Scanning for Crown Manufacture: A Split-mouth, Randomized Clinical Study.

PubMed

Haddadi, Yasser; Bahrami, Golnosh; Isidor, Flemming

To compare operating time and patient perception of conventional impression (CI) taking and intraoral scanning (IOS) for manufacture of a tooth-supported crown. A total of 19 patients needing indirect full-coverage restorations fitting the requirements for a split-mouth design were recruited. Each patient received two lithium disilicate crowns, one manufactured from CI taking and one from IOS. Both teeth were prepared following the manufacturers' recommendations. For both impression techniques, two retraction cords soaked in 15% ferric sulphate were used for tissue management. CIs were taken in a full-arch metallic tray using one-step, two-viscosity technique with polyvinyl siloxane silicone. The operating time for each step of the two impression methods was registered. Patient perception associated with each method was scored using a 100-mm visual analog scale (VAS), with 100 indicating maximum discomfort. Median total operating time for CI taking was 15:47 minutes (interquartile range [IQR] 15:18 to 17:30), and for IOS was 5:05 minutes (IQR 4:35 to 5:23). The median VAS score for patient perception was 73 (IQR 16 to 89) for CI taking and 6 (IQR 2 to 9) for IOS. The differences between the two groups were statistically significant (P < .05) for both parameters. IOS was less time consuming than CI taking, and patient perception was in favor of IOS.

Fourier Domain Iterative Approach to Optical Sectioning of 3d Translucent Objects for Ophthalmology Purposes

NASA Astrophysics Data System (ADS)

Razguli, A. V.; Iroshnikov, N. G.; Larichev, A. V.; Romanenko, T. E.; Goncharov, A. S.

2017-05-01

In this paper we deal with the problem of optical sectioning. This is a post processing step while investigating of 3D translucent medical objects based on rapid refocusing of the imaging system by the adaptive optics technique. Each image, captured in focal plane, can be represented as the sum of in-focus true section and out-of-focus images of the neighboring sections of the depth that are undesirable in the subsequent reconstruction of 3D object. The problem of optical sectioning under consideration is to elaborate a robust approach capable of obtaining a stack of cross section images purified from such distortions. For a typical sectioning statement arising in ophthalmology we propose a local iterative method in Fourier spectral plane. Compared to the non-local constant parameter selection for the whole spectral domain, the method demonstrates both improved sectioning results and a good level of scalability when implemented on multi-core CPUs.

First characterization of a static Fourier transform spectrometer

NASA Astrophysics Data System (ADS)

Lacan, A.; Bréon, F.-M.; Rosak, A.; Pierangelo, C.

2017-11-01

A new instrument concept for a Static Fourier Transform Spectrometer has been developed and characterized by CNES. This spectrometer is based on a Michelson interferometer concept, but a system of stepped mirrors generates all interference path differences simultaneously, without any moving parts. The instrument permits high spectral resolution measurements (≍0.1 cm-1) adapted to the sounding and the monitoring of atmospheric gases. Moreover, its overall dimensions are compatible with a micro satellite platform. The stepped mirrors are glued using a molecular bonding technique. An interference filter selects a waveband only a few nanometers wide. It limits the number of sampling points (and consequently the steps number) necessary to achieve the high resolution. The instrument concept can be optimized for the detection and the monitoring of various atmospheric constituents. CNES has developed a version whose measurements are centered on the CO2 absorption lines at 1573 nm (6357 cm-1). This model has a theoretical resolution of 40 pm (0.15 cm-1) within a 5 nm (22.5 cm-1) wide spectral window. It is aimed at the feasibility demonstration for atmospheric CO2 column measurements with a very demanding accuracy of better than 1%. Preliminary measurements indicate that, although high quality spectra are obtained, the theoretical performances are not yet achieved. We discuss the causes for the achieved performances and describe foreseen methods for their improvements.

Double peak-induced distance error in short-time-Fourier-transform-Brillouin optical time domain reflectometers event detection and the recovery method.

PubMed

Yu, Yifei; Luo, Linqing; Li, Bo; Guo, Linfeng; Yan, Jize; Soga, Kenichi

2015-10-01

The measured distance error caused by double peaks in the BOTDRs (Brillouin optical time domain reflectometers) system is a kind of Brillouin scattering spectrum (BSS) deformation, discussed and simulated for the first time in the paper, to the best of the authors' knowledge. Double peak, as a kind of Brillouin spectrum deformation, is important in the enhancement of spatial resolution, measurement accuracy, and crack detection. Due to the variances of the peak powers of the BSS along the fiber, the measured starting point of a step-shape frequency transition region is shifted and results in distance errors. Zero-padded short-time-Fourier-transform (STFT) can restore the transition-induced double peaks in the asymmetric and deformed BSS, thus offering more accurate and quicker measurements than the conventional Lorentz-fitting method. The recovering method based on the double-peak detection and corresponding BSS deformation can be applied to calculate the real starting point, which can improve the distance accuracy of the STFT-based BOTDR system.

Structure and tunneling dynamics in a model system of peptide co-solvents: rotational spectroscopy of the 2,2,2-trifluoroethanol⋯water complex.

PubMed

Thomas, Javix; Xu, Yunjie

2014-06-21

The hydrogen-bonding topology and tunneling dynamics of the binary adduct, 2,2,2-trifluoroethanol (TFE)⋯water, were investigated using chirped pulse and cavity based Fourier transform microwave spectroscopy with the aid of high level ab initio calculations. Rotational spectra of the most stable binary TFE⋯water conformer and five of its deuterium isotopologues were assigned. A strong preference for the insertion binding topology where water is inserted into the existing intramolecular hydrogen-bonded ring of TFE was observed. Tunneling splittings were detected in all of the measured rotational transitions of TFE⋯water. Based on the relative intensity of the two tunneling components and additional isotopic data, the splitting can be unambiguously attributed to the tunneling motion of the water subunit, i.e., the interchange of the bonded and nonbonded hydrogen atoms of water. The absence of any other splitting in the rotational transitions of all isotopologues observed indicates that the tunneling between g+ and g- TFE is quenched in the TFE⋯H2O complex.

Numerical approach in defining milling force taking into account curved cutting-edge of applied mills

NASA Astrophysics Data System (ADS)

Bondarenko, I. R.

2018-03-01

The paper tackles the task of applying the numerical approach to determine the cutting forces of carbon steel machining with curved cutting edge mill. To solve the abovementioned task the curved surface of the cutting edge was subject to step approximation, and the chips section was split into discrete elements. As a result, the cutting force was defined as the sum of elementary forces observed during the cut of every element. Comparison and analysis of calculations with regard to the proposed method and the method with Kienzle dependence showed its sufficient accuracy, which makes it possible to apply the method in practice.

Two-step electrodeposition to fabricate the p-n heterojunction of a Cu2O/BiVO4 photoanode for the enhancement of photoelectrochemical water splitting.

PubMed

Bai, Shouli; Liu, Jingchao; Cui, Meng; Luo, Ruixian; He, Jing; Chen, Aifan

2018-05-15

A Cu2O/BiVO4 p-n heterojunction based photoanode in photoelectrochemical (PEC) water splitting is fabricated by a two-step electrodeposition method on an FTO substrate followed by annealing treatment. The structures and properties of the samples are characterized by XRD, FESEM, HRTEM, XPS and UV-visible spectra. The photoelectrochemical activity of the photoanode in water oxidation has been investigated and measured in a three electrode quartz cell system; the obtained maximum photocurrent density of 1.72 mA cm-2 at 1.23 V vs. RHE is 4.5 times higher than that of pristine BiVO4 thin films (∼0.38 mA cm-2). The heterojunction based photoanode also exhibits a tremendous cathodic shift of the onset potential (∼420 mV) and enhancement in the IPCE value by more than 4-fold. The enhanced photoelectrochemical properties of the Cu2O/BiVO4 photoelectrode are attributed to the efficient separation of the photoexcited electron-hole pairs caused by the inner electronic field (IEF) of the p-n heterojunction.

Superaerophobic P-doped Ni(OH)2/NiMoO4 hierarchical nanosheet arrays grown on Ni foam for electrocatalytic overall water splitting.

PubMed

Xi, Wenguang; Yan, Gang; Tan, Huaqiao; Xiao, Liguang; Cheng, Sihang; Khan, Shifa Ullah; Wang, Yonghui; Li, Yangguang

2018-06-19

Transition metal (TM) oxides and hydroxides are one of the important candidates for the development of durable and low-cost electrocatalysts towards water splitting. The key issue is exploring effective methods to improve their electrocatalytic activity. Herein, we report a new type of P-doped Ni(OH)2/NiMoO4 hierarchical nanosheet array (abbr. P-Ni(OH)2/NiMoO4) grown on Ni foam (NF), which can act as a highly efficient electrocatalyst towards overall water splitting. Such a composite was obtained by a three-step preparation process. In the first two hydrothermal reactions, the crystalline Ni(OH)2 hierarchical nanosheet arrays were grown on NF and then the low crystallinity NiMoO4 was grafted on the Ni(OH)2 nanosheets. In the third phosphorization step, P element was doped into the composite Ni(OH)2/NiMoO4. Electrocatalytic experiments show that P-Ni(OH)2/NiMoO4 possesses a smaller overpotential (60 mV) and lower Tafel slope (130 mV dec-1) toward HER in 1 M KOH. When it was employed as an integrated water splitting catalyst, only a potential of 1.55 V was required to achieve a current density of 10 mA cm-2. This catalytic activity is even better than those of electrolyzers constructed with noble metals Pt/C∥IrO2. The superior electrocatalytic performance of P-Ni(OH)2/NiMoO4 can be attributed to the high quality of crystalline Ni(OH)2 nanosheet arrays grown on NF, which dramatically improve the conductivity. Furthermore, the hierarchical structure not only increases the surface area and exposes more catalytically active sites, but also provides a superaerophobic surface, which helps to accelerate the release of generated bubbles. Moreover, the synergistic effects between P-Ni(OH)2 and P-NiMoO4 efficiently promote the HER and OER processes also. This work may suggest new a way to explore TM oxide/hydroxide-based durable electrocatalysts with highly efficient electrocatalytic activities towards overall water splitting.

Formation of a hydrophobic and corrosion resistant coating on magnesium alloy via a one-step hydrothermal method.

PubMed

Zheng, Tianxu; Hu, Yaobo; Zhang, Yuxin; Pan, Fusheng

2017-11-01

A hydrophobic coating was fabricated on the surface of magnesium alloy using a simple one-step hydrothermal method with the use of environmentally friendly agent. Scanning electron microscopy, energy-dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and contact angle test were used to characterize the surfaces. Corrosion behavior in a 3.5wt.% NaCl solution was evaluated using OCP time curves test, potentiodynamic polarization test and EIS analysis. The findings show that the substrate is covered by the coating of magnesium hydroxide and magnesium stearate, reaching a contact angle of around 146°. Corrosion behavior show huge improvement, the progress with increase of treatment time could be related to the increased growth rate of coating. Copyright © 2017 Elsevier Inc. All rights reserved.

Enhanced electrical properties in sub-10-nm WO3 nanoflakes prepared via a two-step sol-gel-exfoliation method

PubMed Central

2014-01-01

The morphology and electrical properties of orthorhombic β-WO3 nanoflakes with thickness of ~7 to 9 nm were investigated at the nanoscale with a combination of scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), current sensing force spectroscopy atomic force microscopy (CSFS-AFM, or PeakForce TUNA™), Fourier transform infra-red absorption spectroscopy (FTIR), linear sweep voltammetry (LSV) and Raman spectroscopy techniques. CSFS-AFM analysis established good correlation between the topography of the developed nanostructures and various features of WO3 nanoflakes synthesized via a two-step sol-gel-exfoliation method. It was determined that β-WO3 nanoflakes annealed at 550°C possess distinguished and exceptional thickness-dependent properties in comparison with the bulk, micro and nanostructured WO3 synthesized at alternative temperatures. PMID:25221453

FDTD simulation of field performance in reverberation chamber excited by two excitation antennas

NASA Astrophysics Data System (ADS)

Wang, Song; Wu, Zhan-cheng; Cui, Yao-zhong

2013-03-01

The excitation source is one of the critical items that determine the electromagnetic fields in a reverberation chamber (RC). In order to optimize the electromagnetic fields performance, a new method of exciting RC with two antennas is proposed based on theoretical analysis. The full 3D simulation of RC is carried out by the finite difference time domain (FDTD) method on two excitation conditions of one antenna and two antennas. The broadband response of RC is obtained by fast Fourier transformation (FFT) after only one simulation. Numerical data show that the field uniformity in the test space is improved on the condition of two transmitting antennas while the normalized electric fields decreased slightly compared to the one antenna condition. It is straightforward to recognize that two antennas excitation can reduce the demands on power amplifier as the total input power is split among the two antennas, and consequently the cost of electromagnetic compatibility (EMC) test in large-scale RC can be reduced.

Pharmaceutical counselling about different types of tablet-splitting methods based on the results of weighing tests and mechanical development of splitting devices.

PubMed

Somogyi, O; Meskó, A; Csorba, L; Szabó, P; Zelkó, R

2017-08-30

The division of tablets and adequate methods of splitting them are a complex problem in all sectors of health care. Although tablet-splitting is often required, this procedure can be difficult for patients. Four tablets were investigated with different external features (shape, score-line, film-coat and size). The influencing effect of these features and the splitting methods was investigated according to the precision and "weight loss" of splitting techniques. All four types of tablets were halved by four methods: by hand, with a kitchen knife, with an original manufactured splitting device and with a modified tablet splitter based on a self-developed mechanical model. The mechanical parameters (harness and friability) of the products were measured during the study. The "weight loss" and precision of splitting methods were determined and compared by statistical analysis. On the basis of the results, the external features (geometry), the mechanical parameters of tablets and the mechanical structure of splitting devices can influence the "weight loss" and precision of tablet-splitting. Accordingly, a new decision-making scheme was developed for the selection of splitting methods. In addition, the skills of patients and the specialties of therapy should be considered so that pharmaceutical counselling can be more effective regarding tablet-splitting. Copyright © 2017 Elsevier B.V. All rights reserved.

Geometric metasurface enabling polarization independent beam splitting.

PubMed

Yoon, Gwanho; Lee, Dasol; Nam, Ki Tae; Rho, Junsuk

2018-06-21

A polarization independent holographic beam splitter that generates equal-intensity beams based on geometric metasurface is demonstrated. Although conventional geometric metasurfaces have the advantages of working over a broad frequency range and having intuitive design principles, geometric metasurfaces have the limitation that they only work for circular polarization. In this work, Fourier holography is used to overcome this limitation. A perfect overlap resulting from the origin-symmetry of the encoded image enables polarization independent operation of geometric metasurfaces. The designed metasurface beam splitter is experimentally demonstrated by using hydrogenated amorphous silicon, and the device performs consistent beam splitting regardless of incident polarizations as well as wavelengths. Our device can be applied to generate equal-intensity beams for entangled photon light sources in quantum optics, and the design approach provides a way to develop ultra-thin broadband polarization independent components for modern optics.

A Unified Method of Finding Laplace Transforms, Fourier Transforms, and Fourier Series. [and] An Inversion Method for Laplace Transforms, Fourier Transforms, and Fourier Series. Integral Transforms and Series Expansions. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Units 324 and 325.

ERIC Educational Resources Information Center

Grimm, C. A.

This document contains two units that examine integral transforms and series expansions. In the first module, the user is expected to learn how to use the unified method presented to obtain Laplace transforms, Fourier transforms, complex Fourier series, real Fourier series, and half-range sine series for given piecewise continuous functions. In…

The determination of gravity anomalies from geoid heights using the inverse Stokes' formula, Fourier transforms, and least squares collocation

NASA Technical Reports Server (NTRS)

Rummel, R.; Sjoeberg, L.; Rapp, R. H.

1978-01-01

A numerical method for the determination of gravity anomalies from geoid heights is described using the inverse Stokes formula. This discrete form of the inverse Stokes formula applies a numerical integration over the azimuth and an integration over a cubic interpolatory spline function which approximates the step function obtained from the numerical integration. The main disadvantage of the procedure is the lack of a reliable error measure. The method was applied on geoid heights derived from GEOS-3 altimeter measurements in the calibration area of the GEOS-3 satellite.

Fan beam image reconstruction with generalized Fourier slice theorem.

PubMed

Zhao, Shuangren; Yang, Kang; Yang, Kevin

2014-01-01

For parallel beam geometry the Fourier reconstruction works via the Fourier slice theorem (or central slice theorem, projection slice theorem). For fan beam situation, Fourier slice can be extended to a generalized Fourier slice theorem (GFST) for fan-beam image reconstruction. We have briefly introduced this method in a conference. This paper reintroduces the GFST method for fan beam geometry in details. The GFST method can be described as following: the Fourier plane is filled by adding up the contributions from all fanbeam projections individually; thereby the values in the Fourier plane are directly calculated for Cartesian coordinates such avoiding the interpolation from polar to Cartesian coordinates in the Fourier domain; inverse fast Fourier transform is applied to the image in Fourier plane and leads to a reconstructed image in spacial domain. The reconstructed image is compared between the result of the GFST method and the result from the filtered backprojection (FBP) method. The major differences of the GFST and the FBP methods are: (1) The interpolation process are at different data sets. The interpolation of the GFST method is at projection data. The interpolation of the FBP method is at filtered projection data. (2) The filtering process are done in different places. The filtering process of the GFST is at Fourier domain. The filtering process of the FBP method is the ramp filter which is done at projections. The resolution of ramp filter is variable with different location but the filter in the Fourier domain lead to resolution invariable with location. One advantage of the GFST method over the FBP method is in short scan situation, an exact solution can be obtained with the GFST method, but it can not be obtained with the FBP method. The calculation of both the GFST and the FBP methods are at O(N^3), where N is the number of pixel in one dimension.

Giant onsite electronic entropy enhances the performance of ceria for water splitting.

PubMed

Naghavi, S Shahab; Emery, Antoine A; Hansen, Heine A; Zhou, Fei; Ozolins, Vidvuds; Wolverton, Chris

2017-08-18

Previous studies have shown that a large solid-state entropy of reduction increases the thermodynamic efficiency of metal oxides, such as ceria, for two-step thermochemical water splitting cycles. In this context, the configurational entropy arising from oxygen off-stoichiometry in the oxide, has been the focus of most previous work. Here we report a different source of entropy, the onsite electronic configurational entropy, arising from coupling between orbital and spin angular momenta in lanthanide f orbitals. We find that onsite electronic configurational entropy is sizable in all lanthanides, and reaches a maximum value of ≈4.7 k B per oxygen vacancy for Ce 4+ /Ce 3+ reduction. This unique and large positive entropy source in ceria explains its excellent performance for high-temperature catalytic redox reactions such as water splitting. Our calculations also show that terbium dioxide has a high electronic entropy and thus could also be a potential candidate for solar thermochemical reactions.Solid-state entropy of reduction increases the thermodynamic efficiency of ceria for two-step thermochemical water splitting. Here, the authors report a large and different source of entropy, the onsite electronic configurational entropy arising from coupling between orbital and spin angular momenta in f orbitals.

A Spectral Multi-Domain Penalty Method for Elliptic Problems Arising From a Time-Splitting Algorithm For the Incompressible Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Diamantopoulos, Theodore; Rowe, Kristopher; Diamessis, Peter

2017-11-01

The Collocation Penalty Method (CPM) solves a PDE on the interior of a domain, while weakly enforcing boundary conditions at domain edges via penalty terms, and naturally lends itself to high-order and multi-domain discretization. Such spectral multi-domain penalty methods (SMPM) have been used to solve the Navier-Stokes equations. Bounds for penalty coefficients are typically derived using the energy method to guarantee stability for time-dependent problems. The choice of collocation points and penalty parameter can greatly affect the conditioning and accuracy of a solution. Effort has been made in recent years to relate various high-order methods on multiple elements or domains under the umbrella of the Correction Procedure via Reconstruction (CPR). Most applications of CPR have focused on solving the compressible Navier-Stokes equations using explicit time-stepping procedures. A particularly important aspect which is still missing in the context of the SMPM is a study of the Helmholtz equation arising in many popular time-splitting schemes for the incompressible Navier-Stokes equations. Stability and convergence results for the SMPM for the Helmholtz equation will be presented. Emphasis will be placed on the efficiency and accuracy of high-order methods.

From master slave interferometry to complex master slave interferometry: theoretical work

NASA Astrophysics Data System (ADS)

Rivet, Sylvain; Bradu, Adrian; Maria, Michael; Feuchter, Thomas; Leick, Lasse; Podoleanu, Adrian

2018-03-01

A general theoretical framework is described to obtain the advantages and the drawbacks of two novel Fourier Domain Optical Coherence Tomography (OCT) methods denoted as Master/Slave Interferometry (MSI) and its extension denoted as Complex Master/Slave Interferometry (CMSI). Instead of linearizing the digital data representing the channeled spectrum before a Fourier transform can be applied to it (as in OCT standard methods), channeled spectrum is decomposed on the basis of local oscillations. This replaces the need for linearization, generally time consuming, before any calculation of the depth profile in the range of interest. In this model two functions, g and h, are introduced. The function g describes the modulation chirp of the channeled spectrum signal due to nonlinearities in the decoding process from wavenumber to time. The function h describes the dispersion in the interferometer. The utilization of these two functions brings two major improvements to previous implementations of the MSI method. The paper details the steps to obtain the functions g and h, and represents the CMSI in a matrix formulation that enables to implement easily this method in LabVIEW by using parallel programming with multi-cores.

Exemplar-based inpainting as a solution to the missing wedge problem in electron tomography.

PubMed

Trampert, Patrick; Wang, Wu; Chen, Delei; Ravelli, Raimond B G; Dahmen, Tim; Peters, Peter J; Kübel, Christian; Slusallek, Philipp

2018-04-21

A new method for dealing with incomplete projection sets in electron tomography is proposed. The approach is inspired by exemplar-based inpainting techniques in image processing and heuristically generates data for missing projection directions. The method has been extended to work on three dimensional data. In general, electron tomography reconstructions suffer from elongation artifacts along the beam direction. These artifacts can be seen in the corresponding Fourier domain as a missing wedge. The new method synthetically generates projections for these missing directions with the help of a dictionary based approach that is able to convey both structure and texture at the same time. It constitutes a preprocessing step that can be combined with any tomographic reconstruction algorithm. The new algorithm was applied to phantom data, to a real electron tomography data set taken from a catalyst, as well as to a real dataset containing solely colloidal gold particles. Visually, the synthetic projections, reconstructions, and corresponding Fourier power spectra showed a decrease of the typical missing wedge artifacts. Quantitatively, the inpainting method is capable to reduce missing wedge artifacts and improves tomogram quality with respect to full width half maximum measurements. Copyright © 2018. Published by Elsevier B.V.

Periodic, complexiton solutions and stability for a (2+1)-dimensional variable-coefficient Gross-Pitaevskii equation in the Bose-Einstein condensation

NASA Astrophysics Data System (ADS)

Yin, Hui-Min; Tian, Bo; Zhao, Xin-Chao

2018-06-01

This paper presents an investigation of a (2 + 1)-dimensional variable-coefficient Gross-Pitaevskii equation in the Bose-Einstein condensation. Periodic and complexiton solutions are obtained. Solitons solutions are also gotten through the periodic solutions. Numerical solutions via the split step method are stable. Effects of the weak and strong modulation instability on the solitons are shown: the weak modulation instability permits an observable soliton, and the strong one overwhelms its development.

Heart Fibrillation and Parallel Supercomputers

NASA Technical Reports Server (NTRS)

Kogan, B. Y.; Karplus, W. J.; Chudin, E. E.

1997-01-01

The Luo and Rudy 3 cardiac cell mathematical model is implemented on the parallel supercomputer CRAY - T3D. The splitting algorithm combined with variable time step and an explicit method of integration provide reasonable solution times and almost perfect scaling for rectilinear wave propagation. The computer simulation makes it possible to observe new phenomena: the break-up of spiral waves caused by intracellular calcium and dynamics and the non-uniformity of the calcium distribution in space during the onset of the spiral wave.

Regionally Implicit Discontinuous Galerkin Methods for Solving the Relativistic Vlasov-Maxwell System Submitted to Iowa State University

NASA Astrophysics Data System (ADS)

Guthrey, Pierson Tyler

The relativistic Vlasov-Maxwell system (RVM) models the behavior of collisionless plasma, where electrons and ions interact via the electromagnetic fields they generate. In the RVM system, electrons could accelerate to significant fractions of the speed of light. An idea that is actively being pursued by several research groups around the globe is to accelerate electrons to relativistic speeds by hitting a plasma with an intense laser beam. As the laser beam passes through the plasma it creates plasma wakes, much like a ship passing through water, which can trap electrons and push them to relativistic speeds. Such setups are known as laser wakefield accelerators, and have the potential to yield particle accelerators that are significantly smaller than those currently in use. Ultimately, the goal of such research is to harness the resulting electron beams to generate electromagnetic waves that can be used in medical imaging applications. High-order accurate numerical discretizations of kinetic Vlasov plasma models are very effective at yielding low-noise plasma simulations, but are computationally expensive to solve because of the high dimensionality. In addition to the general difficulties inherent to numerically simulating Vlasov models, the relativistic Vlasov-Maxwell system has unique challenges not present in the non-relativistic case. One such issue is that operator splitting of the phase gradient leads to potential instabilities, thus we require an alternative to operator splitting of the phase. The goal of the current work is to develop a new class of high-order accurate numerical methods for solving kinetic Vlasov models of plasma. The main discretization in configuration space is handled via a high-order finite element method called the discontinuous Galerkin method (DG). One difficulty is that standard explicit time-stepping methods for DG suffer from time-step restrictions that are significantly worse than what a simple Courant-Friedrichs-Lewy (CFL) argument requires. The maximum stable time-step scales inversely with the highest degree in the DG polynomial approximation space and becomes progressively smaller with each added spatial dimension. In this work, we overcome this difficulty by introducing a novel time-stepping strategy: the regionally-implicit discontinuous Galerkin (RIDG) method. The RIDG is method is based on an extension of the Lax-Wendroff DG (LxW-DG) method, which previously had been shown to be equivalent (for linear constant coefficient problems) to a predictor-corrector approach, where the prediction is computed by a space-time DG method (STDG). The corrector is an explicit method that uses the space-time reconstructed solution from the predictor step. In this work, we modify the predictor to include not just local information, but also neighboring information. With this modification, we show that the stability is greatly enhanced; we show that we can remove the polynomial degree dependence of the maximum time-step and show vastly improved time-steps in multiple spatial dimensions. Upon the development of the general RIDG method, we apply it to the non-relativistic 1D1V Vlasov-Poisson equations and the relativistic 1D2V Vlasov-Maxwell equations. For each we validate the high-order method on several test cases. In the final test case, we demonstrate the ability of the method to simulate the acceleration of electrons to relativistic speeds in a simplified test case.

On the stability analysis of approximate factorization methods for 3D Euler and Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Demuren, A. O.; Ibraheem, S. O.

1993-01-01

The convergence characteristics of various approximate factorizations for the 3D Euler and Navier-Stokes equations are examined using the von-Neumann stability analysis method. Three upwind-difference based factorizations and several central-difference based factorizations are considered for the Euler equations. In the upwind factorizations both the flux-vector splitting methods of Steger and Warming and van Leer are considered. Analysis of the Navier-Stokes equations is performed only on the Beam and Warming central-difference scheme. The range of CFL numbers over which each factorization is stable is presented for one-, two-, and three-dimensional flow. Also presented for each factorization is the CFL number at which the maximum eigenvalue is minimized, for all Fourier components, as well as for the high frequency range only. The latter is useful for predicting the effectiveness of multigrid procedures with these schemes as smoothers. Further, local mode analysis is performed to test the suitability of using a uniform flow field in the stability analysis. Some inconsistencies in the results from previous analyses are resolved.

Acquisition and replay systems for direct-to-digital holography and holovision

DOEpatents

Thomas, Clarence E.; Hanson, Gregory R.

2003-02-25

Improvements to the acquisition and replay systems for direct-to-digital holography and holovision are described. A method of recording an off-axis hologram includes: splitting a laser beam into an object beam and a reference beam; reflecting the reference beam from a reference beam mirror; reflecting the object beam from an illumination beamsplitter; passing the object beam through an objective lens; reflecting the object beam from an object; focusing the reference beam and the object beam at a focal plane of a digital recorder to form an off-axis hologram; digitally recording the off-axis hologram; and transforming the off-axis hologram in accordance with a Fourier transform to obtain a set of results. A method of writing an off-axis hologram includes: passing a laser beam through a spatial light modulator; and focusing the laser beam at a focal plane of a photorefractive crystal to impose a holographic diffraction grating pattern on the photorefractive crystal. A method of replaying an off-axis hologram includes: illuminating a photorefractive crystal having a holographic diffraction grating with a replay beam.

WE-AB-207A-02: John’s Equation Based Consistency Condition and Incomplete Projection Restoration Upon Circular Orbit CBCT

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

Ma, J; Qi, H; Wu, S

Purpose: In transmitted X-ray tomography imaging, projections are sometimes incomplete due to a variety of reasons, such as geometry inaccuracy, defective detector cells, etc. To address this issue, we have derived a direct consistency condition based on John’s Equation, and proposed a method to effectively restore incomplete projections based on this consistency condition. Methods: Through parameter substitutions, we have derived a direct consistency condition equation from John’s equation, in which the left side is only projection derivative of view and the right side is projection derivative of other geometrical parameters. Based on this consistency condition, a projection restoration method ismore » proposed, which includes five steps: 1) Forward projecting reconstructed image and using linear interpolation to estimate the incomplete projections as the initial result; 2) Performing Fourier transform on the projections; 3) Restoring the incomplete frequency data using the consistency condition equation; 4) Performing inverse Fourier transform; 5) Repeat step 2)∼4) until our criteria is met to terminate the iteration. Results: A beam-blocking-based scatter correction case and a bad-pixel correction case were used to demonstrate the efficacy and robustness of our restoration method. The mean absolute error (MAE), signal noise ratio (SNR) and mean square error (MSE) were employed as our evaluation metrics of the reconstructed images. For the scatter correction case, the MAE is reduced from 63.3% to 71.7% with 4 iterations. Compared with the existing Patch’s method, the MAE of our method is further reduced by 8.72%. For the bad-pixel case, the SNR of the reconstructed image by our method is increased from 13.49% to 21.48%, with the MSE being decreased by 45.95%, compared with linear interpolation method. Conclusion: Our studies have demonstrated that our restoration method based on the new consistency condition could effectively restore the incomplete projections, especially for their high frequency component.« less

In situ synthesis carbonated hydroxyapatite layers on enamel slices with acidic amino acids by a novel two-step method.

PubMed

Wu, Xiaoguang; Zhao, Xu; Li, Yi; Yang, Tao; Yan, Xiujuan; Wang, Ke

2015-09-01

In situ fabrication of carbonated hydroxyapatite (CHA) remineralization layer on an enamel slice was completed in a novel, biomimetic two-step method. First, a CaCO3 layer was synthesized on the surface of demineralized enamel using an acidic amino acid (aspartic acid or glutamate acid) as a soft template. Second, at the same concentration of the acidic amino acid, rod-like carbonated hydroxyapatite was produced with the CaCO3 layer as a sacrificial template and a reactant. The morphology, crystallinity and other physicochemical properties of the crystals were characterized using field emission scanning electron microscopy (FESEM), Fourier transform infrared spectrometry (FTIR), X-ray diffraction (XRD) and energy-dispersive X-ray analysis (EDAX), respectively. Acidic amino acid could promote the uniform deposition of hydroxyapatite with rod-like crystals via absorption of phosphate and carbonate ions from the reaction solution. Moreover, compared with hydroxyapatite crystals coated on the enamel when synthesized by a one-step method, the CaCO3 coating that was synthesized in the first step acted as an active bridge layer and sacrificial template. It played a vital role in orienting the artificial coating layer through the template effect. The results show that the rod-like carbonated hydroxyapatite crystals grow into bundles, which are similar in size and appearance to prisms in human enamel, when using the two-step method with either aspartic acid or acidic glutamate (20.00 mmol/L). Copyright © 2015 Elsevier B.V. All rights reserved.

Solubilization of phosphorus from phosphate rocks with Acidithiobacillus thiooxidans following a growing-then-recovery process.

PubMed

Calle-Castañeda, Susana M; Márquez-Godoy, Marco A; Hernández-Ortiz, Juan P

2017-12-29

Phosphorus is an essential nutrient for the synthesis of biomolecules and is particularly important in agriculture, as soils must be constantly supplemented with its inorganic form to ensure high yields and productivity. In this paper, we propose a process to solubilize phosphorus from phosphate rocks, where Acidithiobacillus thiooxidans cultures are pre-cultivated to foster the acidic conditions for bioleaching-two-step "growing-then-recovery"-. Our method solubilizes 100% of phosphorus, whereas the traditional process without pre-cultivation-single-step "growing-and-recovery"-results in a maximum of 56% solubilization. As a proof of principle, we demonstrate that even at low concentrations of the phosphate rock, 1% w/v, the bacterial culture is unviable and biological activity is not observed during the single-step process. On the other hand, in our method, the bacteria are grown without the rock, ensuring high acid production. Once pH levels are below 0.7, the mineral is added to the culture, resulting in high yields of biological solubilization. According to the Fourier Transform Infrared Spectroscopy spectrums, gypsum is the dominant phosphate phase after both the single- and two-step methods. However, calcite and fluorapatite, dominant in the un-treated rock, are still present after the single-step, highlighting the differences between the chemical and the biological methods. Our process opens new avenues for biotechnologies to recover phosphorus in tropical soils and in low-grade phosphate rock reservoirs.

Runge-Kutta methods combined with compact difference schemes for the unsteady Euler equations

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao

1992-01-01

Recent development using compact difference schemes to solve the Navier-Stokes equations show spectral-like accuracy. A study was made of the numerical characteristics of various combinations of the Runge-Kutta (RK) methods and compact difference schemes to calculate the unsteady Euler equations. The accuracy of finite difference schemes is assessed based on the evaluations of dissipative error. The objectives are reducing the numerical damping and, at the same time, preserving numerical stability. While this approach has tremendous success solving steady flows, numerical characteristics of unsteady calculations remain largely unclear. For unsteady flows, in addition to the dissipative errors, phase velocity and harmonic content of the numerical results are of concern. As a result of the discretization procedure, the simulated unsteady flow motions actually propagate in a dispersive numerical medium. Consequently, the dispersion characteristics of the numerical schemes which relate the phase velocity and wave number may greatly impact the numerical accuracy. The aim is to assess the numerical accuracy of the simulated results. To this end, the Fourier analysis is to provide the dispersive correlations of various numerical schemes. First, a detailed investigation of the existing RK methods is carried out. A generalized form of an N-step RK method is derived. With this generalized form, the criteria are derived for the three and four-step RK methods to be third and fourth-order time accurate for the non-linear equations, e.g., flow equations. These criteria are then applied to commonly used RK methods such as Jameson's 3-step and 4-step schemes and Wray's algorithm to identify the accuracy of the methods. For the spatial discretization, compact difference schemes are presented. The schemes are formulated in the operator-type to render themselves suitable for the Fourier analyses. The performance of the numerical methods is shown by numerical examples. These examples are detailed. described. The third case is a two-dimensional simulation of a Lamb vortex in an uniform flow. This calculation provides a realistic assessment of various finite difference schemes in terms of the conservation of the vortex strength and the harmonic content after travelling a substantial distance. The numerical implementation of Giles' non-refelctive equations coupled with the characteristic equations as the boundary condition is discussed in detail. Finally, the single vortex calculation is extended to simulate vortex pairing. For the distance between two vortices less than a threshold value, numerical results show crisp resolution of the vortex merging.

Fourier analysis and signal processing by use of the Moebius inversion formula

NASA Technical Reports Server (NTRS)

Reed, Irving S.; Yu, Xiaoli; Shih, Ming-Tang; Tufts, Donald W.; Truong, T. K.

1990-01-01

A novel Fourier technique for digital signal processing is developed. This approach to Fourier analysis is based on the number-theoretic method of the Moebius inversion of series. The Fourier transform method developed is shown also to yield the convolution of two signals. A computer simulation shows that this method for finding Fourier coefficients is quite suitable for digital signal processing. It competes with the classical FFT (fast Fourier transform) approach in terms of accuracy, complexity, and speed.

Optimizing The Number Of Steps In Learning Tasks For Complex Skills

ERIC Educational Resources Information Center

Nadolski, Rob J.; Kirschner, Paul A.; van Merrienboer, Jeroen J.G.

2005-01-01

Background: Carrying out whole tasks is often too difficult for novice learners attempting to acquire complex skills. The common solution is to split up the tasks into a number of smaller steps. The number of steps must be optimized for efficient and effective learning. Aim: The aim of the study is to investigate the relation between the number of…

Simulation of moving flat plate with unsteady translational motion using vortex method

NASA Astrophysics Data System (ADS)

Widodo, A. F.; Zuhal, L. R.

2013-10-01

This paper presents simulation of moving flate plate with unsteady translational motion using Lagrangianmeshless numerical simulation named vortex method. The method solves Navier-Stokes equations in term of vorticity. The solving strategy is splitting the equation into diffusion and convection term to be solved separately. The diffusion term is modeled by particles strength exchange(PSE) which is the most accurate of diffusion modeling in vortex method. The convection term that represents transport of particles is calculated by time step integration of velocity. Velocity of particles is natively calculated using Biot-Savart relation but for acceleration, fastmultiple method(FMM) is employed. The simulation is validated experimentally using digital particle image velocimetry(DPIV) and the results give good agreement.

Qualitative Features Extraction from Sensor Data using Short-time Fourier Transform

NASA Technical Reports Server (NTRS)

Amini, Abolfazl M.; Figueroa, Fernando

2004-01-01

The information gathered from sensors is used to determine the health of a sensor. Once a normal mode of operation is established any deviation from the normal behavior indicates a change. This change may be due to a malfunction of the sensor(s) or the system (or process). The step-up and step-down features, as well as sensor disturbances are assumed to be exponential. An RC network is used to model the main process, which is defined by a step-up (charging), drift, and step-down (discharging). The sensor disturbances and spike are added while the system is in drift. The system runs for a period of at least three time-constants of the main process every time a process feature occurs (e.g. step change). The Short-Time Fourier Transform of the Signal is taken using the Hamming window. Three window widths are used. The DC value is removed from the windowed data prior to taking the FFT. The resulting three dimensional spectral plots provide good time frequency resolution. The results indicate distinct shapes corresponding to each process.

Single reflector interference spectrometer and drive system therefor

NASA Technical Reports Server (NTRS)

Schindler, R. A. (Inventor)

1974-01-01

In a Fourier interference spectrometer of the doublepass retroreflector type, a single mirror is employed in the path of both split beams of an incoming ray to cause them to double back through separate retroreflectors. Changes in optical path length are achieved by linear displacement of both retroreflectors using a motor driven lead screw on one for large, low frequency changes, a moving-coil actuator on the other for smaller, mid-frequency changes and a piezoelectric actuator on one of these two for small, high frequency changes.

Seismic data interpolation and denoising by learning a tensor tight frame

NASA Astrophysics Data System (ADS)

Liu, Lina; Plonka, Gerlind; Ma, Jianwei

2017-10-01

Seismic data interpolation and denoising plays a key role in seismic data processing. These problems can be understood as sparse inverse problems, where the desired data are assumed to be sparsely representable within a suitable dictionary. In this paper, we present a new method based on a data-driven tight frame (DDTF) of Kronecker type (KronTF) that avoids the vectorization step and considers the multidimensional structure of data in a tensor-product way. It takes advantage of the structure contained in all different modes (dimensions) simultaneously. In order to overcome the limitations of a usual tensor-product approach we also incorporate data-driven directionality. The complete method is formulated as a sparsity-promoting minimization problem. It includes two main steps. In the first step, a hard thresholding algorithm is used to update the frame coefficients of the data in the dictionary; in the second step, an iterative alternating method is used to update the tight frame (dictionary) in each different mode. The dictionary that is learned in this way contains the principal components in each mode. Furthermore, we apply the proposed KronTF to seismic interpolation and denoising. Examples with synthetic and real seismic data show that the proposed method achieves better results than the traditional projection onto convex sets method based on the Fourier transform and the previous vectorized DDTF methods. In particular, the simple structure of the new frame construction makes it essentially more efficient.

Ni3S2 nanowires grown on nickel foam as an efficient bifunctional electrocatalyst for water splitting with greatly practical prospects.

PubMed

Zhang, Dawei; Li, Jingwei; Luo, Jiaxian; Xu, Peiman; Wei, Licheng; Zhou, Dan; Xu, Weiming; Yuan, Dingsheng

2018-06-15

It is essential to synthesize low-cost, earth-abundant bifunctional electrocatalysts for both the hydrogen evolution reaction (HER) and oxygen evolution reactions (OER) for water electrolysis. Herein, we present a one-step sulfurization method to fabricate Ni 3 S 2 nanowires directly grown on Ni foam (Ni 3 S 2 NWs/Ni) as such an electrocatalyst. This synthetic strategy has several advantages including facile preparation, low cost and can even be expanded to large-scale preparation for practical applications. The as-synthesized Ni 3 S 2 NWs/Ni exhibits a low overpotential of 81 and 317 mV to render a current density of 10 mA cm -2 for the HER and OER, respectively, in 1.0 mol l -1 KOH solution. The Ni 3 S 2 NWs/Ni was integrated to be the cathode and the anode in the alkaline electrolyzer for overall water splitting with a current density of 10 mA cm -2 afforded at a cell voltage of 1.63 V. More importantly, this electrolyzer maintained its electrocatalytic activity even after continual water splitting for 30 h. Owing to its simple synthesis process, the earth-abundant electrocatalyst and high performance, this versatile Ni 3 S 2 NWs/Ni electrode will become a promising electrocatalyst for water splitting.

Ni3S2 nanowires grown on nickel foam as an efficient bifunctional electrocatalyst for water splitting with greatly practical prospects

NASA Astrophysics Data System (ADS)

Zhang, Dawei; Li, Jingwei; Luo, Jiaxian; Xu, Peiman; Wei, Licheng; Zhou, Dan; Xu, Weiming; Yuan, Dingsheng

2018-06-01

It is essential to synthesize low-cost, earth-abundant bifunctional electrocatalysts for both the hydrogen evolution reaction (HER) and oxygen evolution reactions (OER) for water electrolysis. Herein, we present a one-step sulfurization method to fabricate Ni3S2 nanowires directly grown on Ni foam (Ni3S2 NWs/Ni) as such an electrocatalyst. This synthetic strategy has several advantages including facile preparation, low cost and can even be expanded to large-scale preparation for practical applications. The as-synthesized Ni3S2 NWs/Ni exhibits a low overpotential of 81 and 317 mV to render a current density of 10 mA cm‑2 for the HER and OER, respectively, in 1.0 mol l‑1 KOH solution. The Ni3S2 NWs/Ni was integrated to be the cathode and the anode in the alkaline electrolyzer for overall water splitting with a current density of 10 mA cm‑2 afforded at a cell voltage of 1.63 V. More importantly, this electrolyzer maintained its electrocatalytic activity even after continual water splitting for 30 h. Owing to its simple synthesis process, the earth-abundant electrocatalyst and high performance, this versatile Ni3S2 NWs/Ni electrode will become a promising electrocatalyst for water splitting.

Wavefront division digital holography

NASA Astrophysics Data System (ADS)

Zhang, Wenhui; Cao, Liangcai; Li, Rujia; Zhang, Hua; Zhang, Hao; Jiang, Qiang; Jin, Guofan

2018-05-01

Digital holography (DH), mostly Mach-Zehnder configuration based, belongs to non-common path amplitude splitting interference imaging whose stability and fringe contrast are environmental sensitive. This paper presents a wavefront division DH configuration with both high stability and high-contrast fringes benefitting from quasi common path wavefront-splitting interference. In our proposal, two spherical waves with similar curvature coming from the same wavefront are used, which makes full use of the physical sampling capacity of the detectors. The interference fringe spacing can be adjusted flexibly for both in-line and off-axis mode due to the independent modulation to these two waves. Only a few optical elements, including the mirror-beam splitter interference component, are used without strict alignments, which makes it robust and easy-to-implement. The proposed wavefront division DH promotes interference imaging physics into the practical and miniaturized a step forward. The feasibility of this method is proved by the imaging of a resolution target and a water flea.

Reducing aberration effect of Fourier transform lens by modifying Fourier spectrum of diffractive optical element in beam shaping optical system.

PubMed

Zhang, Fang; Zhu, Jing; Song, Qiang; Yue, Weirui; Liu, Jingdan; Wang, Jian; Situ, Guohai; Huang, Huijie

2015-10-20

In general, Fourier transform lenses are considered as ideal in the design algorithms of diffractive optical elements (DOEs). However, the inherent aberrations of a real Fourier transform lens disturb the far field pattern. The difference between the generated pattern and the expected design will impact the system performance. Therefore, a method for modifying the Fourier spectrum of DOEs without introducing other optical elements to reduce the aberration effect of the Fourier transform lens is proposed. By applying this method, beam shaping performance is improved markedly for the optical system with a real Fourier transform lens. The experiments carried out with a commercial Fourier transform lens give evidence for this method. The method is capable of reducing the system complexity as well as improving its performance.

Beyond Fourier

NASA Astrophysics Data System (ADS)

Hoch, Jeffrey C.

2017-10-01

Non-Fourier methods of spectrum analysis are gaining traction in NMR spectroscopy, driven by their utility for processing nonuniformly sampled data. These methods afford new opportunities for optimizing experiment time, resolution, and sensitivity of multidimensional NMR experiments, but they also pose significant challenges not encountered with the discrete Fourier transform. A brief history of non-Fourier methods in NMR serves to place different approaches in context. Non-Fourier methods reflect broader trends in the growing importance of computation in NMR, and offer insights for future software development.

Accuracy of Time Integration Approaches for Stiff Magnetohydrodynamics Problems

NASA Astrophysics Data System (ADS)

Knoll, D. A.; Chacon, L.

2003-10-01

The simulation of complex physical processes with multiple time scales presents a continuing challenge to the computational plasma physisist due to the co-existence of fast and slow time scales. Within computational plasma physics, practitioners have developed and used linearized methods, semi-implicit methods, and time splitting in an attempt to tackle such problems. All of these methods are understood to generate numerical error. We are currently developing algorithms which remove such error for MHD problems [1,2]. These methods do not rely on linearization or time splitting. We are also attempting to analyze the errors introduced by existing ``implicit'' methods using modified equation analysis (MEA) [3]. In this presentation we will briefly cover the major findings in [3]. We will then extend this work further into MHD. This analysis will be augmented with numerical experiments with the hope of gaining insight, particularly into how these errors accumulate over many time steps. [1] L. Chacon,. D.A. Knoll, J.M. Finn, J. Comput. Phys., vol. 178, pp. 15-36 (2002) [2] L. Chacon and D.A. Knoll, J. Comput. Phys., vol. 188, pp. 573-592 (2003) [3] D.A. Knoll , L. Chacon, L.G. Margolin, V.A. Mousseau, J. Comput. Phys., vol. 185, pp. 583-611 (2003)

Symplectic molecular dynamics simulations on specially designed parallel computers.

PubMed

Borstnik, Urban; Janezic, Dusanka

2005-01-01

We have developed a computer program for molecular dynamics (MD) simulation that implements the Split Integration Symplectic Method (SISM) and is designed to run on specialized parallel computers. The MD integration is performed by the SISM, which analytically treats high-frequency vibrational motion and thus enables the use of longer simulation time steps. The low-frequency motion is treated numerically on specially designed parallel computers, which decreases the computational time of each simulation time step. The combination of these approaches means that less time is required and fewer steps are needed and so enables fast MD simulations. We study the computational performance of MD simulation of molecular systems on specialized computers and provide a comparison to standard personal computers. The combination of the SISM with two specialized parallel computers is an effective way to increase the speed of MD simulations up to 16-fold over a single PC processor.

Internal rotation in halogenated toluenes: Rotational spectrum of 2,3-difluorotoluene

NASA Astrophysics Data System (ADS)

Nair, K. P. Rajappan; Herbers, Sven; Grabow, Jens-Uwe; Lesarri, Alberto

2018-07-01

The microwave rotational spectrum of 2,3-difluorotoluene has been studied by pulsed supersonic jet using Fourier transform microwave spectroscopy. The tunneling splitting due to the methyl internal rotation in the ground torsional state could be unambiguously identified and the three-fold (V3) potential barrier hindering the internal rotation of the methyl top was determined as 2518.70(15) J/mol. The ground-state rotational parameters for the parent and seven 13C isotopic species in natural abundance were determined with high accuracy, including all quartic centrifugal distortion constants. The molecular structure was derived using the substitution (rs) method. From the rotational constants of the different isotopic species the rs structure as well as the r0 structure was determined. Supporting ab initio (MP2) and DFT (B3LYP) calculations provided comparative values for the potential barrier and molecular parameters.

Erection of duct-like graphitic carbon nitride with enhanced photocatalytic activity for ACB photodegradation

NASA Astrophysics Data System (ADS)

Muhmood, Tahir; Xia, Mingzhu; Lei, Wu; Wang, Fengyun

2018-02-01

Novel duct graphitic carbon nitride (DCN) was successfully prepared using the temperature control method in a quartz tube furnace from commercially available melamine and evaluated against the photo-degradation of latent organic pollutants, acarbose (ACB). These prepared materials were characterized by UV-Vis spectroscopy, Fourier transform infrared spectra, x-ray photoelectron spectroscopy, x-ray diffraction, transmission electron microscopy and scanning electron microscopy. The characterization results indicated that the synthesized material was in the form of a duct-like structure and has greater adsorption capacity and photocatalytic ability as compared to traditionally synthesized graphitic carbon nitride materials. The DCN split theACB completely into many intermediates, which were depicted in the HPLC-MS spectrum for knowing the acarbose photo-degrdation pathway. The duct-like morphology of graphitic carbon nitride has improved properties, such as increasing the surface area and decelerating the e -/h + recombination, which increase the light absorbance ability with enhanced photoactivity.

A new time-frequency method for identification and classification of ball bearing faults

NASA Astrophysics Data System (ADS)

Attoui, Issam; Fergani, Nadir; Boutasseta, Nadir; Oudjani, Brahim; Deliou, Adel

2017-06-01

In order to fault diagnosis of ball bearing that is one of the most critical components of rotating machinery, this paper presents a time-frequency procedure incorporating a new feature extraction step that combines the classical wavelet packet decomposition energy distribution technique and a new feature extraction technique based on the selection of the most impulsive frequency bands. In the proposed procedure, firstly, as a pre-processing step, the most impulsive frequency bands are selected at different bearing conditions using a combination between Fast-Fourier-Transform FFT and Short-Frequency Energy SFE algorithms. Secondly, once the most impulsive frequency bands are selected, the measured machinery vibration signals are decomposed into different frequency sub-bands by using discrete Wavelet Packet Decomposition WPD technique to maximize the detection of their frequency contents and subsequently the most useful sub-bands are represented in the time-frequency domain by using Short Time Fourier transform STFT algorithm for knowing exactly what the frequency components presented in those frequency sub-bands are. Once the proposed feature vector is obtained, three feature dimensionality reduction techniques are employed using Linear Discriminant Analysis LDA, a feedback wrapper method and Locality Sensitive Discriminant Analysis LSDA. Lastly, the Adaptive Neuro-Fuzzy Inference System ANFIS algorithm is used for instantaneous identification and classification of bearing faults. In order to evaluate the performances of the proposed method, different testing data set to the trained ANFIS model by using different conditions of healthy and faulty bearings under various load levels, fault severities and rotating speed. The conclusion resulting from this paper is highlighted by experimental results which prove that the proposed method can serve as an intelligent bearing fault diagnosis system.

A method to correct sampling ghosts in historic near-infrared Fourier transform spectrometer (FTS) measurements

NASA Astrophysics Data System (ADS)

Dohe, S.; Sherlock, V.; Hase, F.; Gisi, M.; Robinson, J.; Sepúlveda, E.; Schneider, M.; Blumenstock, T.

2013-08-01

The Total Carbon Column Observing Network (TCCON) has been established to provide ground-based remote sensing measurements of the column-averaged dry air mole fractions (DMF) of key greenhouse gases. To ensure network-wide consistency, biases between Fourier transform spectrometers at different sites have to be well controlled. Errors in interferogram sampling can introduce significant biases in retrievals. In this study we investigate a two-step scheme to correct these errors. In the first step the laser sampling error (LSE) is estimated by determining the sampling shift which minimises the magnitude of the signal intensity in selected, fully absorbed regions of the solar spectrum. The LSE is estimated for every day with measurements which meet certain selection criteria to derive the site-specific time series of the LSEs. In the second step, this sequence of LSEs is used to resample all the interferograms acquired at the site, and hence correct the sampling errors. Measurements acquired at the Izaña and Lauder TCCON sites are used to demonstrate the method. At both sites the sampling error histories show changes in LSE due to instrument interventions (e.g. realignment). Estimated LSEs are in good agreement with sampling errors inferred from the ratio of primary and ghost spectral signatures in optically bandpass-limited tungsten lamp spectra acquired at Lauder. The original time series of Xair and XCO2 (XY: column-averaged DMF of the target gas Y) at both sites show discrepancies of 0.2-0.5% due to changes in the LSE associated with instrument interventions or changes in the measurement sample rate. After resampling, discrepancies are reduced to 0.1% or less at Lauder and 0.2% at Izaña. In the latter case, coincident changes in interferometer alignment may also have contributed to the residual difference. In the future the proposed method will be used to correct historical spectra at all TCCON sites.

High order volume-preserving algorithms for relativistic charged particles in general electromagnetic fields

NASA Astrophysics Data System (ADS)

He, Yang; Sun, Yajuan; Zhang, Ruili; Wang, Yulei; Liu, Jian; Qin, Hong

2016-09-01

We construct high order symmetric volume-preserving methods for the relativistic dynamics of a charged particle by the splitting technique with processing. By expanding the phase space to include the time t, we give a more general construction of volume-preserving methods that can be applied to systems with time-dependent electromagnetic fields. The newly derived methods provide numerical solutions with good accuracy and conservative properties over long time of simulation. Furthermore, because of the use of an accuracy-enhancing processing technique, the explicit methods obtain high-order accuracy and are more efficient than the methods derived from standard compositions. The results are verified by the numerical experiments. Linear stability analysis of the methods shows that the high order processed method allows larger time step size in numerical integrations.

An improved model for whole genome phylogenetic analysis by Fourier transform.

PubMed

Yin, Changchuan; Yau, Stephen S-T

2015-10-07

DNA sequence similarity comparison is one of the major steps in computational phylogenetic studies. The sequence comparison of closely related DNA sequences and genomes is usually performed by multiple sequence alignments (MSA). While the MSA method is accurate for some types of sequences, it may produce incorrect results when DNA sequences undergone rearrangements as in many bacterial and viral genomes. It is also limited by its computational complexity for comparing large volumes of data. Previously, we proposed an alignment-free method that exploits the full information contents of DNA sequences by Discrete Fourier Transform (DFT), but still with some limitations. Here, we present a significantly improved method for the similarity comparison of DNA sequences by DFT. In this method, we map DNA sequences into 2-dimensional (2D) numerical sequences and then apply DFT to transform the 2D numerical sequences into frequency domain. In the 2D mapping, the nucleotide composition of a DNA sequence is a determinant factor and the 2D mapping reduces the nucleotide composition bias in distance measure, and thus improving the similarity measure of DNA sequences. To compare the DFT power spectra of DNA sequences with different lengths, we propose an improved even scaling algorithm to extend shorter DFT power spectra to the longest length of the underlying sequences. After the DFT power spectra are evenly scaled, the spectra are in the same dimensionality of the Fourier frequency space, then the Euclidean distances of full Fourier power spectra of the DNA sequences are used as the dissimilarity metrics. The improved DFT method, with increased computational performance by 2D numerical representation, can be applicable to any DNA sequences of different length ranges. We assess the accuracy of the improved DFT similarity measure in hierarchical clustering of different DNA sequences including simulated and real datasets. The method yields accurate and reliable phylogenetic trees and demonstrates that the improved DFT dissimilarity measure is an efficient and effective similarity measure of DNA sequences. Due to its high efficiency and accuracy, the proposed DFT similarity measure is successfully applied on phylogenetic analysis for individual genes and large whole bacterial genomes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Monte Carlo method for calculating the radiation skyshine produced by electron accelerators

NASA Astrophysics Data System (ADS)

Kong, Chaocheng; Li, Quanfeng; Chen, Huaibi; Du, Taibin; Cheng, Cheng; Tang, Chuanxiang; Zhu, Li; Zhang, Hui; Pei, Zhigang; Ming, Shenjin

2005-06-01

Using the MCNP4C Monte Carlo code, the X-ray skyshine produced by 9 MeV, 15 MeV and 21 MeV electron linear accelerators were calculated respectively with a new two-step method combined with the split and roulette variance reduction technique. Results of the Monte Carlo simulation, the empirical formulas used for skyshine calculation and the dose measurements were analyzed and compared. In conclusion, the skyshine dose measurements agreed reasonably with the results computed by the Monte Carlo method, but deviated from computational results given by empirical formulas. The effect on skyshine dose caused by different structures of accelerator head is also discussed in this paper.

Error analysis of multipoint flux domain decomposition methods for evolutionary diffusion problems

NASA Astrophysics Data System (ADS)

Arrarás, A.; Portero, L.; Yotov, I.

2014-01-01

We study space and time discretizations for mixed formulations of parabolic problems. The spatial approximation is based on the multipoint flux mixed finite element method, which reduces to an efficient cell-centered pressure system on general grids, including triangles, quadrilaterals, tetrahedra, and hexahedra. The time integration is performed by using a domain decomposition time-splitting technique combined with multiterm fractional step diagonally implicit Runge-Kutta methods. The resulting scheme is unconditionally stable and computationally efficient, as it reduces the global system to a collection of uncoupled subdomain problems that can be solved in parallel without the need for Schwarz-type iteration. Convergence analysis for both the semidiscrete and fully discrete schemes is presented.

Application of Fourier-transform ion cyclotron resonance mass spectrometry to metabolic profiling and metabolite identification.

PubMed

Ohta, Daisaku; Kanaya, Shigehiko; Suzuki, Hideyuki

2010-02-01

Metabolomics, as an essential part of genomics studies, intends holistic understanding of metabolic networks through simultaneous analysis of a myriad of both known and unknown metabolites occurring in living organisms. The initial stage of metabolomics was designed for the reproducible analyses of known metabolites based on their comparison to available authentic compounds. Such metabolomics platforms were mostly based on mass spectrometry (MS) technologies enabled by a combination of different ionization methods together with a variety of separation steps including LC, GC, and CE. Among these, Fourier-transform ion cyclotron resonance MS (FT-ICR/MS) is distinguished from other MS technologies by its ultrahigh resolution power in mass to charge ratio (m/z). The potential of FT-ICR/MS as a distinctive metabolomics tool has been demonstrated in nontargeted metabolic profiling and functional characterization of novel genes. Here, we discuss both the advantages and difficulties encountered in the FT-ICR/MS metabolomics studies.

Pulse Propagation Effects in Optical 2D Fourier-Transform Spectroscopy: Theory.

PubMed

Spencer, Austin P; Li, Hebin; Cundiff, Steven T; Jonas, David M

2015-04-30

A solution to Maxwell's equations in the three-dimensional frequency domain is used to calculate rephasing two-dimensional Fourier transform (2DFT) spectra of the D2 line of atomic rubidium vapor in argon buffer gas. Experimental distortions from the spatial propagation of pulses through the sample are simulated in 2DFT spectra calculated for the homogeneous Bloch line shape model. Spectral features that appear at optical densities of up to 3 are investigated. As optical density increases, absorptive and dispersive distortions start with peak shape broadening, progress to peak splitting, and ultimately result in a previously unexplored coherent transient twisting of the split peaks. In contrast to the low optical density limit, where the 2D peak shape for the Bloch model depends only on the total dephasing time, these distortions of the 2D peak shape at finite optical density vary with the waiting time and the excited state lifetime through coherent transient effects. Experiment-specific conditions are explored, demonstrating the effects of varying beam overlap within the sample and of pseudo-time domain filtering. For beam overlap starting at the sample entrance, decreasing the length of beam overlap reduces the line width along the ωτ axis but also reduces signal intensity. A pseudo-time domain filter, where signal prior to the center of the last excitation pulse is excluded from the FID-referenced 2D signal, reduces propagation distortions along the ωt axis. It is demonstrated that 2DFT rephasing spectra cannot take advantage of an excitation-detection transformation that can eliminate propagation distortions in 2DFT relaxation spectra. Finally, the high optical density experimental 2DFT spectrum of rubidium vapor in argon buffer gas [J. Phys. Chem. A 2013, 117, 6279-6287] is quantitatively compared, in line width, in depth of peak splitting, and in coherent transient peak twisting, to a simulation with optical density higher than that reported.

Raman and infrared spectroscopic investigations of a ferroelastic phase transition in B a2ZnTe O6 double perovskite

NASA Astrophysics Data System (ADS)

Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Ramos, Sérgio L. L. M.; Sebastian, Mailadil T.; Matinaga, Franklin M.; Righi, Ariete; Dias, Anderson

2018-05-01

The low-temperature vibrational properties of B a2ZnTe O6 double-perovskite ceramics obtained by the solid-state route were investigated by Raman scattering and Fourier-transform infrared reflectivity. We found that this material undergoes a reversible ferroelastic phase transition at around 140 K, well compatible with a recently proposed rhombohedral-to-monoclinic structural change that would occur below 165 K. Complementary calorimetric measurements showed that the phase transition has a first-order character, with an entropy jump compatible with a displacive mechanism. The vibrational spectra show clearly the splitting of the doubly degenerate E modes into nondegenerate representations of the low-symmetry phase. In particular, the lowest-frequency Raman mode presents soft-mode behavior and splits below the critical temperature, confirming the in-plane ferroelastic deformation in the low-temperature phase.

Unexpected series of regular frequency spacing of δ Scuti stars in the non-asymptotic regime - I. The methodology

DOE PAGES

Paparo, M.; Benko, J. M.; Hareter, M.; ...

2016-05-11

In this study, a sequence search method was developed to search the regular frequency spacing in δ Scuti stars through visual inspection and an algorithmic search. We searched for sequences of quasi-equally spaced frequencies, containing at least four members per sequence, in 90 δ Scuti stars observed by CoRoT. We found an unexpectedly large number of independent series of regular frequency spacing in 77 δ Scuti stars (from one to eight sequences) in the non-asymptotic regime. We introduce the sequence search method presenting the sequences and echelle diagram of CoRoT 102675756 and the structure of the algorithmic search. Four sequencesmore » (echelle ridges) were found in the 5–21 d –1 region where the pairs of the sequences are shifted (between 0.5 and 0.59 d –1) by twice the value of the estimated rotational splitting frequency (0.269 d –1). The general conclusions for the whole sample are also presented in this paper. The statistics of the spacings derived by the sequence search method, by FT (Fourier transform of the frequencies), and the statistics of the shifts are also compared. In many stars more than one almost equally valid spacing appeared. The model frequencies of FG Vir and their rotationally split components were used to formulate the possible explanation that one spacing is the large separation while the other is the sum of the large separation and the rotational frequency. In CoRoT 102675756, the two spacings (2.249 and 1.977 d –1) are in better agreement with the sum of a possible 1.710 d –1 large separation and two or one times, respectively, the value of the rotational frequency.« less

Unexpected series of regular frequency spacing of δ Scuti stars in the non-asymptotic regime - I. The methodology

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

Paparo, M.; Benko, J. M.; Hareter, M.

In this study, a sequence search method was developed to search the regular frequency spacing in δ Scuti stars through visual inspection and an algorithmic search. We searched for sequences of quasi-equally spaced frequencies, containing at least four members per sequence, in 90 δ Scuti stars observed by CoRoT. We found an unexpectedly large number of independent series of regular frequency spacing in 77 δ Scuti stars (from one to eight sequences) in the non-asymptotic regime. We introduce the sequence search method presenting the sequences and echelle diagram of CoRoT 102675756 and the structure of the algorithmic search. Four sequencesmore » (echelle ridges) were found in the 5–21 d –1 region where the pairs of the sequences are shifted (between 0.5 and 0.59 d –1) by twice the value of the estimated rotational splitting frequency (0.269 d –1). The general conclusions for the whole sample are also presented in this paper. The statistics of the spacings derived by the sequence search method, by FT (Fourier transform of the frequencies), and the statistics of the shifts are also compared. In many stars more than one almost equally valid spacing appeared. The model frequencies of FG Vir and their rotationally split components were used to formulate the possible explanation that one spacing is the large separation while the other is the sum of the large separation and the rotational frequency. In CoRoT 102675756, the two spacings (2.249 and 1.977 d –1) are in better agreement with the sum of a possible 1.710 d –1 large separation and two or one times, respectively, the value of the rotational frequency.« less

Double Fourier Series Solution of Poisson’s Equation on a Sphere.

DTIC Science & Technology

1980-10-29

algebraic systems, the solution of these systems, and the inverse transform of the solution in Fourier space back to physi- cal space. 6. Yee, S. Y. K...Multiply each count in steps (2) through (5) by K] 7. Inverse transform um(0j j = 1, J - 1, to obtain u k; set u(P) = u 0 (P). [K(J - 1) log 2 K

Modeling and analysis of the space shuttle nose-gear tire with semianalytic finite elements

NASA Technical Reports Server (NTRS)

Kim, Kyun O.; Noor, Ahmed K.; Tanner, John A.

1990-01-01

A computational procedure is presented for the geometrically nonlinear analysis of aircraft tires. The Space Shuttle Orbiter nose gear tire was modeled by using a two-dimensional laminated anisotropic shell theory with the effects of variation in material and geometric parameters included. The four key elements of the procedure are: (1) semianalytic finite elements in which the shell variables are represented by Fourier series in the circumferential direction and piecewise polynominals in the meridional direction; (2) a mixed formulation with the fundamental unknowns consisting of strain parameters, stress-resultant parameters, and generalized displacements; (3) multilevel operator splitting to effect successive simplifications, and to uncouple the equations associated with different Fourier harmonics; and (4) multilevel iterative procedures and reduction techniques to generate the response of the shell. Numerical results of the Space Shuttle Orbiter nose gear tire model are compared with experimental measurements of the tire subjected to inflation loading.

A method of power analysis based on piecewise discrete Fourier transform

NASA Astrophysics Data System (ADS)

Xin, Miaomiao; Zhang, Yanchi; Xie, Da

2018-04-01

The paper analyzes the existing feature extraction methods. The characteristics of discrete Fourier transform and piecewise aggregation approximation are analyzed. Combining with the advantages of the two methods, a new piecewise discrete Fourier transform is proposed. And the method is used to analyze the lighting power of a large customer in this paper. The time series feature maps of four different cases are compared with the original data, discrete Fourier transform, piecewise aggregation approximation and piecewise discrete Fourier transform. This new method can reflect both the overall trend of electricity change and its internal changes in electrical analysis.

Step-Scan T-Cell Fourier Transform Infrared Photoacoustic Spectroscopy (FTIR-PAS) for Monitoring Environmental Air Pollutants

NASA Astrophysics Data System (ADS)

Liu, Lixian; Mandelis, Andreas; Melnikov, Alexander; Michaelian, Kirk; Huan, Huiting; Haisch, Christoph

2016-07-01

Air pollutants have adverse effects on the Earth's climate system. There is an urgent need for cost-effective devices capable of recognizing and detecting various ambient pollutants. An FTIR photoacoustic spectroscopy (FTIR-PAS) method based on a commercial FTIR spectrometer developed for air contamination monitoring will be presented. A resonant T-cell was determined to be the most appropriate resonator in view of the low-frequency requirement and space limitations in the sample compartment. Step-scan FTIR-PAS theory for regular cylinder resonator has been described as a reference for prediction of T-cell vibration principles. Both simulated amplitude and phase responses of the T-cell show good agreement with measurement data Carbon dioxide IR absorption spectra were used to demonstrate the capacity of the FTIR-PAS method to detect ambient pollutants. The theoretical detection limit for carbon dioxide was found to be 4 ppmv. A linear response to carbon dioxide concentration was found in the range from 2500 ppmv to 5000 ppmv. The results indicate that it is possible to use step-scan FTIR-PAS with a T-cell as a quantitative method for analysis of ambient contaminants.

Surface modification of aramid fibers by bio-inspired poly(dopamine) and epoxy functionalized silane grafting.

PubMed

Sa, Rina; Yan, Yan; Wei, Zhenhai; Zhang, Liqun; Wang, Wencai; Tian, Ming

2014-12-10

A novel biomimetic surface modification method for meta-aramid (MPIA) fibers and the improvement on adhesion with rubber matrix was demonstrated. Inspired by the composition of adhesive proteins in mussels, we used dopamine (DOPA) self-polymerization to form thin, surface-adherent poly(dopamine) (PDA) films onto the surface of MPIA fibers simply by immersing MPIA fibers in a dopamine solution at room temperature. An epoxy functionalized silane (KH560) grafting was then carried out on the surface of the poly(dopamine)-coated MPIA, either by a "one-step" or "two-step" method, to introduce an epoxy group onto the MPIA fiber surface. The surface composition and microstructure of the modified MPIA was characterized by X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM), and thermogravimetric analysis (TGA). The results indicated successful grafting of KH560 on the PDA-coated MPIA surface. A single-fiber pull-out test was applied to evaluate the adhesion of MPIA fibers with the rubber matrix. Compared with the untreated MPIA fibers, the adhesion strength between the modified MPIA fibers by "one step" method with rubber matrix has an increase of 62.5%.

A 3D Kinematic Measurement of Knee Prosthesis Using X-ray Projection Images

NASA Astrophysics Data System (ADS)

Hirokawa, Shunji; Ariyoshi, Shogo; Hossain, Mohammad Abrar

We have developed a technique for estimating 3D motion of knee prosthesis from its 2D perspective projections. As Fourier descriptors were used for compact representation of library templates and contours extracted from the prosthetic X-ray images, the entire silhouette contour of each prosthetic component was required. This caused such a problem as our algorithm did not function when the silhouettes of tibio and femoral components overlapped with each other. Here we planned a novel method to overcome it; which was processed in two steps. First, the missing part of silhouette contour due to overlap was interpolated using a free-formed curvature such as Bezier. Then the first step position/orientation estimation was performed. In the next step, a clipping window was set in the projective coordinate so as to separate the overlapped silhouette drawn using the first step estimates. After that the localized library whose templates were clipped in shape was prepared and the second step estimation was performed. Computer model simulation demonstrated sufficient accuracies of position/orientation estimation even for overlapped silhouettes; equivalent to those without overlap.

Regionally Adaptable Ground Motion Prediction Equation (GMPE) from Empirical Models of Fourier and Duration of Ground Motion

NASA Astrophysics Data System (ADS)

Bora, Sanjay; Scherbaum, Frank; Kuehn, Nicolas; Stafford, Peter; Edwards, Benjamin

2016-04-01

The current practice of deriving empirical ground motion prediction equations (GMPEs) involves using ground motions recorded at multiple sites. However, in applications like site-specific (e.g., critical facility) hazard ground motions obtained from the GMPEs are need to be adjusted/corrected to a particular site/site-condition under investigation. This study presents a complete framework for developing a response spectral GMPE, within which the issue of adjustment of ground motions is addressed in a manner consistent with the linear system framework. The present approach is a two-step process in which the first step consists of deriving two separate empirical models, one for Fourier amplitude spectra (FAS) and the other for a random vibration theory (RVT) optimized duration (Drvto) of ground motion. In the second step the two models are combined within the RVT framework to obtain full response spectral amplitudes. Additionally, the framework also involves a stochastic model based extrapolation of individual Fourier spectra to extend the useable frequency limit of the empirically derived FAS model. The stochastic model parameters were determined by inverting the Fourier spectral data using an approach similar to the one as described in Edwards and Faeh (2013). Comparison of median predicted response spectra from present approach with those from other regional GMPEs indicates that the present approach can also be used as a stand-alone model. The dataset used for the presented analysis is a subset of the recently compiled database RESORCE-2012 across Europe, the Middle East and the Mediterranean region.

At-line determination of pharmaceuticals small molecule's blending end point using chemometric modeling combined with Fourier transform near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Tewari, Jagdish; Strong, Richard; Boulas, Pierre

2017-02-01

This article summarizes the development and validation of a Fourier transform near infrared spectroscopy (FT-NIR) method for the rapid at-line prediction of active pharmaceutical ingredient (API) in a powder blend to optimize small molecule formulations. The method was used to determine the blend uniformity end-point for a pharmaceutical solid dosage formulation containing a range of API concentrations. A set of calibration spectra from samples with concentrations ranging from 1% to 15% of API (w/w) were collected at-line from 4000 to 12,500 cm- 1. The ability of the FT-NIR method to predict API concentration in the blend samples was validated against a reference high performance liquid chromatography (HPLC) method. The prediction efficiency of four different types of multivariate data modeling methods such as partial least-squares 1 (PLS1), partial least-squares 2 (PLS2), principal component regression (PCR) and artificial neural network (ANN), were compared using relevant multivariate figures of merit. The prediction ability of the regression models were cross validated against results generated with the reference HPLC method. PLS1 and ANN showed excellent and superior prediction abilities when compared to PLS2 and PCR. Based upon these results and because of its decreased complexity compared to ANN, PLS1 was selected as the best chemometric method to predict blend uniformity at-line. The FT-NIR measurement and the associated chemometric analysis were implemented in the production environment for rapid at-line determination of the end-point of the small molecule blending operation. FIGURE 1: Correlation coefficient vs Rank plot FIGURE 2: FT-NIR spectra of different steps of Blend and final blend FIGURE 3: Predictions ability of PCR FIGURE 4: Blend uniformity predication ability of PLS2 FIGURE 5: Prediction efficiency of blend uniformity using ANN FIGURE 6: Comparison of prediction efficiency of chemometric models TABLE 1: Order of Addition for Blending Steps

Beyond Fourier.

PubMed

Hoch, Jeffrey C

2017-10-01

Non-Fourier methods of spectrum analysis are gaining traction in NMR spectroscopy, driven by their utility for processing nonuniformly sampled data. These methods afford new opportunities for optimizing experiment time, resolution, and sensitivity of multidimensional NMR experiments, but they also pose significant challenges not encountered with the discrete Fourier transform. A brief history of non-Fourier methods in NMR serves to place different approaches in context. Non-Fourier methods reflect broader trends in the growing importance of computation in NMR, and offer insights for future software development. Copyright © 2017 Elsevier Inc. All rights reserved.

A modified dodge algorithm for the parabolized Navier-Stokes equations and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.

1981-01-01

A revised version of a split-velocity method for numerical calculation of compressible duct flow was developed. The revision incorporates balancing of mass flow rates on each marching step in order to maintain front-to-back continuity during the calculation. The (checkerboard) zebra algorithm is applied to solution of the three-dimensional continuity equation in conservative form. A second-order A-stable linear multistep method is employed in effecting a marching solution of the parabolized momentum equations. A checkerboard successive overrelaxation iteration is used to solve the resulting implicit nonlinear systems of finite-difference equations which govern stepwise transition.

Onto the stability analysis of hyperbolic secant-shaped Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Sabari, S.; Murali, R.

2018-05-01

We analyze the stability of the hyperbolic secant-shaped attractive Bose-Einstein condensate in the absence of external trapping potential. The appropriate theoretical model for the system is described by the nonlinear mean-field Gross-Pitaevskii equation with time varying two-body interaction effects. Using the variational method, the stability of the system is analyzed under the influence of time varying two-body interactions. Further we confirm that the stability of the attractive condensate increases by considering the hyperbolic secant-shape profile instead of Gaussian shape. The analytical results are compared with the numerical simulation by employing the split-step Crank-Nicholson method.

A new phase encoding approach for a compact head-up display

NASA Astrophysics Data System (ADS)

Suszek, Jaroslaw; Makowski, Michal; Sypek, Maciej; Siemion, Andrzej; Kolodziejczyk, Andrzej; Bartosz, Andrzej

2008-12-01

The possibility of encoding multiple asymmetric symbols into a single thin binary Fourier hologram would have a practical application in the design of simple translucent holographic head-up displays. A Fourier hologram displays the encoded images at the infinity so this enables an observation without a time-consuming eye accommodation. Presenting a set of the most crucial signs for a driver in this way is desired, especially by older people with various eyesight disabilities. In this paper a method of holographic design is presented that assumes a combination of a spatial segmentation and carrier frequencies. It allows to achieve multiple reconstructed images selectable by the angle of the incident laser beam. In order to encode several binary symbols into a single Fourier hologram, the chessboard shaped segmentation function is used. An optimized sequence of phase encoding steps and a final direct phase binarization enables recording of asymmetric symbols into a binary hologram. The theoretical analysis is presented, verified numerically and confirmed in the optical experiment. We suggest and describe a practical and highly useful application of such holograms in an inexpensive HUD device for the use of the automotive industry. We present two alternative propositions of car viewing setups.

Constrained Total Generalized p-Variation Minimization for Few-View X-Ray Computed Tomography Image Reconstruction.

PubMed

Zhang, Hanming; Wang, Linyuan; Yan, Bin; Li, Lei; Cai, Ailong; Hu, Guoen

2016-01-01

Total generalized variation (TGV)-based computed tomography (CT) image reconstruction, which utilizes high-order image derivatives, is superior to total variation-based methods in terms of the preservation of edge information and the suppression of unfavorable staircase effects. However, conventional TGV regularization employs l1-based form, which is not the most direct method for maximizing sparsity prior. In this study, we propose a total generalized p-variation (TGpV) regularization model to improve the sparsity exploitation of TGV and offer efficient solutions to few-view CT image reconstruction problems. To solve the nonconvex optimization problem of the TGpV minimization model, we then present an efficient iterative algorithm based on the alternating minimization of augmented Lagrangian function. All of the resulting subproblems decoupled by variable splitting admit explicit solutions by applying alternating minimization method and generalized p-shrinkage mapping. In addition, approximate solutions that can be easily performed and quickly calculated through fast Fourier transform are derived using the proximal point method to reduce the cost of inner subproblems. The accuracy and efficiency of the simulated and real data are qualitatively and quantitatively evaluated to validate the efficiency and feasibility of the proposed method. Overall, the proposed method exhibits reasonable performance and outperforms the original TGV-based method when applied to few-view problems.

Zero-fringe demodulation method based on location-dependent birefringence dispersion in polarized low-coherence interferometry.

PubMed

Wang, Shuang; Liu, Tiegen; Jiang, Junfeng; Liu, Kun; Yin, Jinde; Qin, Zunqi; Zou, Shengliang

2014-04-01

We present a high precision and fast speed demodulation method for a polarized low-coherence interferometer with location-dependent birefringence dispersion. Based on the characteristics of location-dependent birefringence dispersion and five-step phase-shifting technology, the method accurately retrieves the peak position of zero-fringe at the central wavelength, which avoids the fringe order ambiguity. The method processes data only in the spatial domain and reduces the computational load greatly. We successfully demonstrated the effectiveness of the proposed method in an optical fiber Fabry-Perot barometric pressure sensing experiment system. Measurement precision of 0.091 kPa was realized in the pressure range of 160 kPa, and computation time was improved by 10 times compared to the traditional phase-based method that requires Fourier transform operation.

Fast precalculated triangular mesh algorithm for 3D binary computer-generated holograms.

PubMed

Yang, Fan; Kaczorowski, Andrzej; Wilkinson, Tim D

2014-12-10

A new method for constructing computer-generated holograms using a precalculated triangular mesh is presented. The speed of calculation can be increased dramatically by exploiting both the precalculated base triangle and GPU parallel computing. Unlike algorithms using point-based sources, this method can reconstruct a more vivid 3D object instead of a "hollow image." In addition, there is no need to do a fast Fourier transform for each 3D element every time. A ferroelectric liquid crystal spatial light modulator is used to display the binary hologram within our experiment and the hologram of a base right triangle is produced by utilizing just a one-step Fourier transform in the 2D case, which can be expanded to the 3D case by multiplying by a suitable Fresnel phase plane. All 3D holograms generated in this paper are based on Fresnel propagation; thus, the Fresnel plane is treated as a vital element in producing the hologram. A GeForce GTX 770 graphics card with 2 GB memory is used to achieve parallel computing.

Unconditionally energy stable time stepping scheme for Cahn–Morral equation: Application to multi-component spinodal decomposition and optimal space tiling

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

Tavakoli, Rouhollah, E-mail: rtavakoli@sharif.ir

An unconditionally energy stable time stepping scheme is introduced to solve Cahn–Morral-like equations in the present study. It is constructed based on the combination of David Eyre's time stepping scheme and Schur complement approach. Although the presented method is general and independent of the choice of homogeneous free energy density function term, logarithmic and polynomial energy functions are specifically considered in this paper. The method is applied to study the spinodal decomposition in multi-component systems and optimal space tiling problems. A penalization strategy is developed, in the case of later problem, to avoid trivial solutions. Extensive numerical experiments demonstrate themore » success and performance of the presented method. According to the numerical results, the method is convergent and energy stable, independent of the choice of time stepsize. Its MATLAB implementation is included in the appendix for the numerical evaluation of algorithm and reproduction of the presented results. -- Highlights: •Extension of Eyre's convex–concave splitting scheme to multiphase systems. •Efficient solution of spinodal decomposition in multi-component systems. •Efficient solution of least perimeter periodic space partitioning problem. •Developing a penalization strategy to avoid trivial solutions. •Presentation of MATLAB implementation of the introduced algorithm.« less

Wavelength modulation spectroscopy--digital detection of gas absorption harmonics based on Fourier analysis.

PubMed

Mei, Liang; Svanberg, Sune

2015-03-20

This work presents a detailed study of the theoretical aspects of the Fourier analysis method, which has been utilized for gas absorption harmonic detection in wavelength modulation spectroscopy (WMS). The lock-in detection of the harmonic signal is accomplished by studying the phase term of the inverse Fourier transform of the Fourier spectrum that corresponds to the harmonic signal. The mathematics and the corresponding simulation results are given for each procedure when applying the Fourier analysis method. The present work provides a detailed view of the WMS technique when applying the Fourier analysis method.

21 CFR 184.1065 - Linoleic acid.

Code of Federal Regulations, 2010 CFR

2010-04-01

... various methods including hydrolysis and saponification, the Twitchell method, low pressure splitting with catalyst, continuous high pressure counter current splitting, and medium pressure autoclave splitting with...

Computational Insights into the O2-evolving complex of photosystem II

PubMed Central

Sproviero, Eduardo M.; McEvoy, James P.; Gascón, José A.; Brudvig, Gary W.; Batista, Victor S.

2009-01-01

Mechanistic investigations of the water-splitting reaction of the oxygen-evolving complex (OEC) of photosystem II (PSII) are fundamentally informed by structural studies. Many physical techniques have provided important insights into the OEC structure and function, including X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy as well as mass spectrometry (MS), electron paramagnetic resonance (EPR) spectroscopy and Fourier transform infrared spectroscopy applied in conjunction with mutagenesis studies. However, experimental studies have yet to yield consensus as to the exact configuration of the catalytic metal cluster and its ligation scheme. Computational modeling studies, including density functional (DFT) theory combined with quantum mechanics/molecular mechanics (QM/MM) hybrid methods for explicitly including the influence of the surrounding protein, have proposed chemically satisfactory models of the fully ligated OEC within PSII that are maximally consistent with experimental results. The inorganic core of these models is similar to the crystallographic model upon which they were based but comprises important modifications due to structural refinement, hydration and proteinaceous ligation which improve agreement with a wide range of experimental data. The computational models are useful for rationalizing spectroscopic and crystallographic results and for building a complete structure-based mechanism of water-splitting in PSII as described by the intermediate oxidation states of the OEC. This review summarizes these recent advances in QM/MM modeling of PSII within the context of recent experimental studies. PMID:18483777

Computed inverse resonance imaging for magnetic susceptibility map reconstruction.

PubMed

Chen, Zikuan; Calhoun, Vince

2012-01-01

This article reports a computed inverse magnetic resonance imaging (CIMRI) model for reconstructing the magnetic susceptibility source from MRI data using a 2-step computational approach. The forward T2*-weighted MRI (T2*MRI) process is broken down into 2 steps: (1) from magnetic susceptibility source to field map establishment via magnetization in the main field and (2) from field map to MR image formation by intravoxel dephasing average. The proposed CIMRI model includes 2 inverse steps to reverse the T2*MRI procedure: field map calculation from MR-phase image and susceptibility source calculation from the field map. The inverse step from field map to susceptibility map is a 3-dimensional ill-posed deconvolution problem, which can be solved with 3 kinds of approaches: the Tikhonov-regularized matrix inverse, inverse filtering with a truncated filter, and total variation (TV) iteration. By numerical simulation, we validate the CIMRI model by comparing the reconstructed susceptibility maps for a predefined susceptibility source. Numerical simulations of CIMRI show that the split Bregman TV iteration solver can reconstruct the susceptibility map from an MR-phase image with high fidelity (spatial correlation ≈ 0.99). The split Bregman TV iteration solver includes noise reduction, edge preservation, and image energy conservation. For applications to brain susceptibility reconstruction, it is important to calibrate the TV iteration program by selecting suitable values of the regularization parameter. The proposed CIMRI model can reconstruct the magnetic susceptibility source of T2*MRI by 2 computational steps: calculating the field map from the phase image and reconstructing the susceptibility map from the field map. The crux of CIMRI lies in an ill-posed 3-dimensional deconvolution problem, which can be effectively solved by the split Bregman TV iteration algorithm.

Study on synthesis and bioactivity of biotinylated emodin.

PubMed

Hou, Xueli; Wei, Wenqiang; Fan, Yunyun; Zhang, Jianbin; Zhu, Ning; Hong, Hailong; Wang, Cuiyan

2017-07-01

A novel compound biotinylated emodin was synthesized by a two-step acyl chloride method which connects the biotin to emodin with esterification reaction. The product was characterized with ultraviolet-visible spectrophotometry, fourier transform infrared and high-performance liquid chromatography tandem mass spectrometry techniques. Its antibacterial activity against Staphylococcus aureus CMCC 26003 was investigated, and the emodin- and biotinylated emodin-caused antibacterial mechanism was proposed. It was shown that the product was isolated and activity of emodin was remained. These results indicated that our study provides a kind of chemosynthesis method under mild conditions and a strong molecular tool for investigating the emodin-binding protein.

Algorithm for Wavefront Sensing Using an Extended Scene

NASA Technical Reports Server (NTRS)

Sidick, Erkin; Green, Joseph; Ohara, Catherine

2008-01-01

A recently conceived algorithm for processing image data acquired by a Shack-Hartmann (SH) wavefront sensor is not subject to the restriction, previously applicable in SH wavefront sensing, that the image be formed from a distant star or other equivalent of a point light source. That is to say, the image could be of an extended scene. (One still has the option of using a point source.) The algorithm can be implemented in commercially available software on ordinary computers. The steps of the algorithm are the following: 1. Suppose that the image comprises M sub-images. Determine the x,y Cartesian coordinates of the centers of these sub-images and store them in a 2xM matrix. 2. Within each sub-image, choose an NxN-pixel cell centered at the coordinates determined in step 1. For the ith sub-image, let this cell be denoted as si(x,y). Let the cell of another subimage (preferably near the center of the whole extended-scene image) be designated a reference cell, denoted r(x,y). 3. Calculate the fast Fourier transforms of the sub-sub-images in the central NxN portions (where N < N and both are preferably powers of 2) of r(x,y) and si(x,y). 4. Multiply the two transforms to obtain a cross-correlation function Ci(u,v), in the Fourier domain. Then let the phase of Ci(u, v) constitute a phase function, phi(u,v). 5. Fit u and v slopes to phi (u,v) over a small u,v subdomain. 6. Compute the fast Fourier transform, Si(u,v) of the full NxN cell si(x,y). Multiply this transform by the u and phase slopes obtained in step 4. Then compute the inverse fast Fourier transform of the product. 7. Repeat steps 4 through 6 in an iteration loop, cumulating the u and slopes, until a maximum iteration number is reached or the change in image shift becomes smaller than a predetermined tolerance. 8. Repeat steps 4 through 7 for the cells of all other sub-images.

Determination of Focal Mechanisms of Non-Volcanic Tremors Based on S-Wave Polarization Data Corrected for the Effects of Anisotropy

NASA Astrophysics Data System (ADS)

Imanishi, K.; Uchide, T.; Takeda, N.

2014-12-01

We propose a method to determine focal mechanisms of non-volcanic tremors (NVTs) based on S-wave polarization angles. The successful retrieval of polarization angles in low S/N tremor signals owes much to the observation that NVTs propagate slowly and therefore they do not change their location immediately. This feature of NVTs enables us to use a longer window to compute a polarization angle (e.g., one minute or longer), resulting in a stack of particle motions. Following Zhang and Schwartz (1994), we first correct for the splitting effect to recover the source polarization angle (anisotropy-corrected angle). This is a key step, because shear-wave splitting distorts the particle motion excited by a seismic source. We then determine the best double-couple solution using anisotropy-corrected angles of multiple stations. The present method was applied to a tremor sequence at Kii Peninsula, southwest Japan, which occurred at the beginning of April 2013. A standard splitting and polarization analysis were subject to a one-minute-long moving window to determine the splitting parameters as well as anisotropy-corrected angles. A grid search approach was performed at each hour to determine the best double-couple solution satisfying one-hour average polarization angles. Most solutions show NW-dipping low-angle planes consistent with the plate boundary or SE-dipping high-angle planes. Because of 180 degrees ambiguity in polarization angles, the present method alone cannot distinguish compressional quadrant from dilatational one. Together with the observation of very low-frequency earthquakes near the present study area (Ito et al., 2007), it is reasonable to consider that they represent shear slip on low-angle thrust faults. It is also noted that some of solutions contain strike-slip component. Acknowledgements: Seismograph stations used in this study include permanent stations operated by NIED (Hi-net), JMA, Earthquake Research Institute, together with Geological Survey of Japan, AIST. This work was supported by JSPS KAKENHI Grant Number 24540463.

Comparison of IMRT planning with two-step and one-step optimization: a strategy for improving therapeutic gain and reducing the integral dose

NASA Astrophysics Data System (ADS)

Abate, A.; Pressello, M. C.; Benassi, M.; Strigari, L.

2009-12-01

The aim of this study was to evaluate the effectiveness and efficiency in inverse IMRT planning of one-step optimization with the step-and-shoot (SS) technique as compared to traditional two-step optimization using the sliding windows (SW) technique. The Pinnacle IMRT TPS allows both one-step and two-step approaches. The same beam setup for five head-and-neck tumor patients and dose-volume constraints were applied for all optimization methods. Two-step plans were produced converting the ideal fluence with or without a smoothing filter into the SW sequence. One-step plans, based on direct machine parameter optimization (DMPO), had the maximum number of segments per beam set at 8, 10, 12, producing a directly deliverable sequence. Moreover, the plans were generated whether a split-beam was used or not. Total monitor units (MUs), overall treatment time, cost function and dose-volume histograms (DVHs) were estimated for each plan. PTV conformality and homogeneity indexes and normal tissue complication probability (NTCP) that are the basis for improving therapeutic gain, as well as non-tumor integral dose (NTID), were evaluated. A two-sided t-test was used to compare quantitative variables. All plans showed similar target coverage. Compared to two-step SW optimization, the DMPO-SS plans resulted in lower MUs (20%), NTID (4%) as well as NTCP values. Differences of about 15-20% in the treatment delivery time were registered. DMPO generates less complex plans with identical PTV coverage, providing lower NTCP and NTID, which is expected to reduce the risk of secondary cancer. It is an effective and efficient method and, if available, it should be favored over the two-step IMRT planning.

Fourier transform microwave spectra and ab initio calculation of N-ethylformamide

NASA Astrophysics Data System (ADS)

Ohba, Keisuke; Usami, Tsuyoshi; Kawashima, Yoshiyuki; Hirota, Eizi

2005-06-01

A peptide molecule: N-ethylformamide HCONHCH 2CH 3 (NEFA) was investigated by Fourier transform microwave spectroscopy in order to determine molecular structure, potential barrier to methyl internal rotation, and nuclear quadrupole coupling constant of the nitrogen atom. All the three ( a, b and c) types of transitions were observed; they were split into hyperfine structure components due to nitrogen nuclear quadrupole coupling. The rotational constants of NEFA were determined to be A=9904.8373(6), B=3521.0995(2) and C=2984.9808(2) MHz, with three standard deviations in parentheses. The inertial defect Δ= Icc- Iaa- Ibb was calculated from the rotational constants to be -25.24492(2) uÅ 2, which indicates the ethyl group to be bent out of the peptide linkage plane. A comparison of the observed rotational constants with those calculated by an ab initio molecular orbital method also led us to conclude that the most stable form of NEFA is trans- sc, a conformer with a nonplanar heavy atom skeleton. No evidence has so far been obtained for the existence of other conformers, as was the case for a related molecule: N-ethylacetamide. We have also observed spectra of five singly substituted isotopomers, three 13C and one for each of 15N and 18O, from which we derived a partial rs structure, in fair agreement with an ab initio result.

Comparative analysis of peak-detection techniques for comprehensive two-dimensional chromatography.

PubMed

Latha, Indu; Reichenbach, Stephen E; Tao, Qingping

2011-09-23

Comprehensive two-dimensional gas chromatography (GC×GC) is a powerful technology for separating complex samples. The typical goal of GC×GC peak detection is to aggregate data points of analyte peaks based on their retention times and intensities. Two techniques commonly used for two-dimensional peak detection are the two-step algorithm and the watershed algorithm. A recent study [4] compared the performance of the two-step and watershed algorithms for GC×GC data with retention-time shifts in the second-column separations. In that analysis, the peak retention-time shifts were corrected while applying the two-step algorithm but the watershed algorithm was applied without shift correction. The results indicated that the watershed algorithm has a higher probability of erroneously splitting a single two-dimensional peak than the two-step approach. This paper reconsiders the analysis by comparing peak-detection performance for resolved peaks after correcting retention-time shifts for both the two-step and watershed algorithms. Simulations with wide-ranging conditions indicate that when shift correction is employed with both algorithms, the watershed algorithm detects resolved peaks with greater accuracy than the two-step method. Copyright © 2011 Elsevier B.V. All rights reserved.

A FAST POLYNOMIAL TRANSFORM PROGRAM WITH A MODULARIZED STRUCTURE

NASA Technical Reports Server (NTRS)

Truong, T. K.

1994-01-01

This program utilizes a fast polynomial transformation (FPT) algorithm applicable to two-dimensional mathematical convolutions. Two-dimensional convolution has many applications, particularly in image processing. Two-dimensional cyclic convolutions can be converted to a one-dimensional convolution in a polynomial ring. Traditional FPT methods decompose the one-dimensional cyclic polynomial into polynomial convolutions of different lengths. This program will decompose a cyclic polynomial into polynomial convolutions of the same length. Thus, only FPTs and Fast Fourier Transforms of the same length are required. This modular approach can save computational resources. To further enhance its appeal, the program is written in the transportable 'C' language. The steps in the algorithm are: 1) formulate the modulus reduction equations, 2) calculate the polynomial transforms, 3) multiply the transforms using a generalized fast Fourier transformation, 4) compute the inverse polynomial transforms, and 5) reconstruct the final matrices using the Chinese remainder theorem. Input to this program is comprised of the row and column dimensions and the initial two matrices. The matrices are printed out at all steps, ending with the final reconstruction. This program is written in 'C' for batch execution and has been implemented on the IBM PC series of computers under DOS with a central memory requirement of approximately 18K of 8 bit bytes. This program was developed in 1986.

Rapid identification of Lonicerae japonicae Flos and Lonicerae Flos by Fourier transform infrared (FT-IR) spectroscopy and two-dimensional correlation analysis

NASA Astrophysics Data System (ADS)

Yan, Rui; Chen, Jian-bo; Sun, Su-qin; Guo, Bao-lin

2016-11-01

Lonicerae japonicae Flos (LJF) and Lonicerae Flos (LF) are widely-used herbs derived from several plants of the genus Lonicera with similar appearances. LF are usually misused or counterfeited as LJF for economically motivated adulteration. However, the saponins in LF may cause serious side-effects. In this research, the infrared spectroscopic tri-step identification approach is used to develop a simple and rapid method to discriminate LJF and LF to ensure the safety and efficacy of these herbal drugs. In the primary identification by Fourier transform infrared spectra, LJF and LF show different peaks near 1534, 1404, and 781 cm-1. In the secondary identification by the second derivative infrared spectra, LJF and LF show more different peaks near 1078, 1050, 988, 923, 855, 815, and 781 cm-1. In the tertiary identification by the two-dimensional correlation infrared spectra, the differences between LJF and LF are shown more remarkably and convincingly. The results show the potential of the infrared spectroscopic tri-step identification approach in the rapid identification of LJF and LF when the samples are too few to build a statistical recognition rule. This should be very helpful to ensure the quality, safety, and efficacy of LJF and LF for clinical applications.

Analysis of High Order Difference Methods for Multiscale Complex Compressible Flows

NASA Technical Reports Server (NTRS)

Sjoegreen, Bjoern; Yee, H. C.; Tang, Harry (Technical Monitor)

2002-01-01

Accurate numerical simulations of complex multiscale compressible viscous flows, especially high speed turbulence combustion and acoustics, demand high order schemes with adaptive numerical dissipation controls. Standard high resolution shock-capturing methods are too dissipative to capture the small scales and/or long-time wave propagations without extreme grid refinements and small time steps. An integrated approach for the control of numerical dissipation in high order schemes with incremental studies was initiated. Here we further refine the analysis on, and improve the understanding of the adaptive numerical dissipation control strategy. Basically, the development of these schemes focuses on high order nondissipative schemes and takes advantage of the progress that has been made for the last 30 years in numerical methods for conservation laws, such as techniques for imposing boundary conditions, techniques for stability at shock waves, and techniques for stable and accurate long-time integration. We concentrate on high order centered spatial discretizations and a fourth-order Runge-Kutta temporal discretizations as the base scheme. Near the bound-aries, the base scheme has stable boundary difference operators. To further enhance stability, the split form of the inviscid flux derivatives is frequently used for smooth flow problems. To enhance nonlinear stability, linear high order numerical dissipations are employed away from discontinuities, and nonlinear filters are employed after each time step in order to suppress spurious oscillations near discontinuities to minimize the smearing of turbulent fluctuations. Although these schemes are built from many components, each of which is well-known, it is not entirely obvious how the different components be best connected. For example, the nonlinear filter could instead have been built into the spatial discretization, so that it would have been activated at each stage in the Runge-Kutta time stepping. We could think of a mechanism that activates the split form of the equations only at some parts of the domain. Another issue is how to define good sensors for determining in which parts of the computational domain a certain feature should be filtered by the appropriate numerical dissipation. For the present study we employ a wavelet technique introduced in as sensors. Here, the method is briefly described with selected numerical experiments.

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).

Introducing inducible fluorescent split cholesterol oxidase to mammalian cells.

PubMed

Chernov, Konstantin G; Neuvonen, Maarit; Brock, Ivonne; Ikonen, Elina; Verkhusha, Vladislav V

2017-05-26

Cholesterol oxidase (COase) is a bacterial enzyme catalyzing the first step in the biodegradation of cholesterol. COase is an important biotechnological tool for clinical diagnostics and production of steroid drugs and insecticides. It is also used for tracking intracellular cholesterol; however, its utility is limited by the lack of an efficient temporal control of its activity. To overcome this we have developed a regulatable fragment complementation system for COase cloned from Chromobacterium sp. The enzyme was split into two moieties that were fused to FKBP (FK506-binding protein) and FRB (rapamycin-binding domain) pair and split GFP fragments. The addition of rapamycin reconstituted a fluorescent enzyme, termed split GFP-COase, the fluorescence level of which correlated with its oxidation activity. A rapid decrease of cellular cholesterol induced by intracellular expression of the split GFP-COase promoted the dissociation of a cholesterol biosensor D4H from the plasma membrane. The process was reversible as upon rapamycin removal, the split GFP-COase fluorescence was lost, and cellular cholesterol levels returned to normal. These data demonstrate that the split GFP-COase provides a novel tool to manipulate cholesterol in mammalian cells. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Forward Sound Propagation Around Seamounts: Application of Acoustic Models to the Kermit-Roosevelt and Elvis Seamounts

DTIC Science & Technology

2009-06-01

large number of range steps. Brooke et al. [73] developed a Canadian Parabolic Equation model ( PECan ). In the model, the split-step Padé algorithm... PECan : A Canadian parabolic equation model for underwater sound propagation. J. Computational Acoustics, 9(1):69-100, 2001 [74] Michael D

Exploring chemical reaction mechanisms through harmonic Fourier beads path optimization.

PubMed

Khavrutskii, Ilja V; Smith, Jason B; Wallqvist, Anders

2013-10-28

Here, we apply the harmonic Fourier beads (HFB) path optimization method to study chemical reactions involving covalent bond breaking and forming on quantum mechanical (QM) and hybrid QM∕molecular mechanical (QM∕MM) potential energy surfaces. To improve efficiency of the path optimization on such computationally demanding potentials, we combined HFB with conjugate gradient (CG) optimization. The combined CG-HFB method was used to study two biologically relevant reactions, namely, L- to D-alanine amino acid inversion and alcohol acylation by amides. The optimized paths revealed several unexpected reaction steps in the gas phase. For example, on the B3LYP∕6-31G(d,p) potential, we found that alanine inversion proceeded via previously unknown intermediates, 2-iminopropane-1,1-diol and 3-amino-3-methyloxiran-2-ol. The CG-HFB method accurately located transition states, aiding in the interpretation of complex reaction mechanisms. Thus, on the B3LYP∕6-31G(d,p) potential, the gas phase activation barriers for the inversion and acylation reactions were 50.5 and 39.9 kcal∕mol, respectively. These barriers determine the spontaneous loss of amino acid chirality and cleavage of peptide bonds in proteins. We conclude that the combined CG-HFB method further advances QM and QM∕MM studies of reaction mechanisms.

Secure Hashing of Dynamic Hand Signatures Using Wavelet-Fourier Compression with BioPhasor Mixing and [InlineEquation not available: see fulltext.] Discretization

NASA Astrophysics Data System (ADS)

Wai Kuan, Yip; Teoh, Andrew B. J.; Ngo, David C. L.

2006-12-01

We introduce a novel method for secure computation of biometric hash on dynamic hand signatures using BioPhasor mixing and[InlineEquation not available: see fulltext.] discretization. The use of BioPhasor as the mixing process provides a one-way transformation that precludes exact recovery of the biometric vector from compromised hashes and stolen tokens. In addition, our user-specific[InlineEquation not available: see fulltext.] discretization acts both as an error correction step as well as a real-to-binary space converter. We also propose a new method of extracting compressed representation of dynamic hand signatures using discrete wavelet transform (DWT) and discrete fourier transform (DFT). Without the conventional use of dynamic time warping, the proposed method avoids storage of user's hand signature template. This is an important consideration for protecting the privacy of the biometric owner. Our results show that the proposed method could produce stable and distinguishable bit strings with equal error rates (EERs) of[InlineEquation not available: see fulltext.] and[InlineEquation not available: see fulltext.] for random and skilled forgeries for stolen token (worst case) scenario, and[InlineEquation not available: see fulltext.] for both forgeries in the genuine token (optimal) scenario.

Iterative Addition of Kinetic Effects to Cold Plasma RF Wave Solvers

NASA Astrophysics Data System (ADS)

Green, David; Berry, Lee; RF-SciDAC Collaboration

2017-10-01

The hot nature of fusion plasmas requires a wave vector dependent conductivity tensor for accurate calculation of wave heating and current drive. Traditional methods for calculating the linear, kinetic full-wave plasma response rely on a spectral method such that the wave vector dependent conductivity fits naturally within the numerical method. These methods have seen much success for application to the well-confined core plasma of tokamaks. However, quantitative prediction of high power RF antenna designs for fusion applications has meant a requirement of resolving the geometric details of the antenna and other plasma facing surfaces for which the Fourier spectral method is ill-suited. An approach to enabling the addition of kinetic effects to the more versatile finite-difference and finite-element cold-plasma full-wave solvers was presented by where an operator-split iterative method was outlined. Here we expand on this approach, examine convergence and present a simplified kinetic current estimator for rapidly updating the right-hand side of the wave equation with kinetic corrections. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

Alveolar Ridge Split Technique Using Piezosurgery with Specially Designed Tips

PubMed Central

Moro, Alessandro; Foresta, Enrico; Falchi, Marco; De Angelis, Paolo; D'Amato, Giuseppe; Pelo, Sandro

2017-01-01

The treatment of patients with atrophic ridge who need prosthetic rehabilitation is a common problem in oral and maxillofacial surgery. Among the various techniques introduced for the expansion of alveolar ridges with a horizontal bone deficit is the alveolar ridge split technique. The aim of this article is to give a description of some new tips that have been specifically designed for the treatment of atrophic ridges with transversal bone deficit. A two-step piezosurgical split technique is also described, based on specific osteotomies of the vestibular cortex and the use of a mandibular ramus graft as interpositional graft. A total of 15 patients were treated with the proposed new tips by our department. All the expanded areas were successful in providing an adequate width and height to insert implants according to the prosthetic plan and the proposed tips allowed obtaining the most from the alveolar ridge split technique and piezosurgery. These tips have made alveolar ridge split technique simple, safe, and effective for the treatment of horizontal and vertical bone defects. Furthermore the proposed piezosurgical split technique allows obtaining horizontal and vertical bone augmentation. PMID:28246596

Alveolar Ridge Split Technique Using Piezosurgery with Specially Designed Tips.

PubMed

Moro, Alessandro; Gasparini, Giulio; Foresta, Enrico; Saponaro, Gianmarco; Falchi, Marco; Cardarelli, Lorenzo; De Angelis, Paolo; Forcione, Mario; Garagiola, Umberto; D'Amato, Giuseppe; Pelo, Sandro

2017-01-01

The treatment of patients with atrophic ridge who need prosthetic rehabilitation is a common problem in oral and maxillofacial surgery. Among the various techniques introduced for the expansion of alveolar ridges with a horizontal bone deficit is the alveolar ridge split technique. The aim of this article is to give a description of some new tips that have been specifically designed for the treatment of atrophic ridges with transversal bone deficit. A two-step piezosurgical split technique is also described, based on specific osteotomies of the vestibular cortex and the use of a mandibular ramus graft as interpositional graft. A total of 15 patients were treated with the proposed new tips by our department. All the expanded areas were successful in providing an adequate width and height to insert implants according to the prosthetic plan and the proposed tips allowed obtaining the most from the alveolar ridge split technique and piezosurgery. These tips have made alveolar ridge split technique simple, safe, and effective for the treatment of horizontal and vertical bone defects. Furthermore the proposed piezosurgical split technique allows obtaining horizontal and vertical bone augmentation.

A Radiation Transfer Solver for Athena Using Short Characteristics

NASA Astrophysics Data System (ADS)

Davis, Shane W.; Stone, James M.; Jiang, Yan-Fei

2012-03-01

We describe the implementation of a module for the Athena magnetohydrodynamics (MHD) code that solves the time-independent, multi-frequency radiative transfer (RT) equation on multidimensional Cartesian simulation domains, including scattering and non-local thermodynamic equilibrium (LTE) effects. The module is based on well known and well tested algorithms developed for modeling stellar atmospheres, including the method of short characteristics to solve the RT equation, accelerated Lambda iteration to handle scattering and non-LTE effects, and parallelization via domain decomposition. The module serves several purposes: it can be used to generate spectra and images, to compute a variable Eddington tensor (VET) for full radiation MHD simulations, and to calculate the heating and cooling source terms in the MHD equations in flows where radiation pressure is small compared with gas pressure. For the latter case, the module is combined with the standard MHD integrators using operator splitting: we describe this approach in detail, including a new constraint on the time step for stability due to radiation diffusion modes. Implementation of the VET method for radiation pressure dominated flows is described in a companion paper. We present results from a suite of test problems for both the RT solver itself and for dynamical problems that include radiative heating and cooling. These tests demonstrate that the radiative transfer solution is accurate and confirm that the operator split method is stable, convergent, and efficient for problems of interest. We demonstrate there is no need to adopt ad hoc assumptions of questionable accuracy to solve RT problems in concert with MHD: the computational cost for our general-purpose module for simple (e.g., LTE gray) problems can be comparable to or less than a single time step of Athena's MHD integrators, and only few times more expensive than that for more general (non-LTE) problems.

An interior penalty stabilised incompressible discontinuous Galerkin-Fourier solver for implicit large eddy simulations

NASA Astrophysics Data System (ADS)

Ferrer, Esteban

2017-11-01

We present an implicit Large Eddy Simulation (iLES) h / p high order (≥2) unstructured Discontinuous Galerkin-Fourier solver with sliding meshes. The solver extends the laminar version of Ferrer and Willden, 2012 [34], to enable the simulation of turbulent flows at moderately high Reynolds numbers in the incompressible regime. This solver allows accurate flow solutions of the laminar and turbulent 3D incompressible Navier-Stokes equations on moving and static regions coupled through a high order sliding interface. The spatial discretisation is provided by the Symmetric Interior Penalty Discontinuous Galerkin (IP-DG) method in the x-y plane coupled with a purely spectral method that uses Fourier series and allows efficient computation of spanwise periodic three-dimensional flows. Since high order methods (e.g. discontinuous Galerkin and Fourier) are unable to provide enough numerical dissipation to enable under-resolved high Reynolds computations (i.e. as necessary in the iLES approach), we adapt the laminar version of the solver to increase (controllably) the dissipation and enhance the stability in under-resolved simulations. The novel stabilisation relies on increasing the penalty parameter included in the DG interior penalty (IP) formulation. The latter penalty term is included when discretising the linear viscous terms in the incompressible Navier-Stokes equations. These viscous penalty fluxes substitute the stabilising effect of non-linear fluxes, which has been the main trend in implicit LES discontinuous Galerkin approaches. The IP-DG penalty term provides energy dissipation, which is controlled by the numerical jumps at element interfaces (e.g. large in under-resolved regions) such as to stabilise under-resolved high Reynolds number flows. This dissipative term has minimal impact in well resolved regions and its implicit treatment does not restrict the use of large time steps, thus providing an efficient stabilization mechanism for iLES. The IP-DG stabilisation is complemented with a Spectral Vanishing Viscosity (SVV) method, in the z-direction, to enhance stability in the continuous Fourier space. The coupling between the numerical viscosity in the DG plane and the SVV damping, provides an efficient approach to stabilise high order methods at moderately high Reynolds numbers. We validate the formulation for three turbulent flow cases: a circular cylinder at Re = 3900, a static and pitch oscillating NACA 0012 airfoil at Re = 10000 and finally a rotating vertical-axis turbine at Re = 40000, with Reynolds based on the circular diameter, airfoil chord and turbine diameter, respectively. All our results compare favourably with published direct numerical simulations, large eddy simulations or experimental data. We conclude that the DG-Fourier high order solver, with IP-SVV stabilisation, proves to be a valuable tool to predict turbulent flows and associated statistics for both static and rotating machinery.

Automatic measurement for dimensional changes of woven fabrics based on texture

NASA Astrophysics Data System (ADS)

Liu, Jihong; Jiang, Hongxia; Liu, X.; Chai, Zhilei

2014-01-01

Dimensional change or shrinkage is an important functional attribute of woven fabrics that affects their basic function and price in the market. This paper presents a machine vision system that evaluates the shrinkage of woven fabrics by analyzing the change of fabric construction. The proposed measurement method has three features. (i) There will be no stain of shrinkage markers on the fabric specimen compared to the existing measurement method. (ii) The system can be used on fabric with reduced area. (iii) The system can be installed and used as a laboratory or industrial application system. The method processed can process the image of the fabric and is divided into four steps: acquiring a relative image from the sample of the woven fabric, obtaining a gray image and then the segmentation of the warp and weft from the fabric based on fast Fourier transform and inverse fast Fourier transform, calculation of the distance of the warp or weft sets by gray projection method and character shrinkage of the woven fabric by the average distance, coefficient of variation of distance and so on. Experimental results on virtual and physical woven fabrics indicated that the method provided could obtain the shrinkage information of woven fabric in detail. The method was programmed by Matlab software, and a graphical user interface was built by Delphi. The program has potential for practical use in the textile industry.

Modulation of phase durations, phase variations, and temporal coordination of the four limbs during quadrupedal split-belt locomotion in intact adult cats

PubMed Central

D'Angelo, Giuseppe; Thibaudier, Yann; Telonio, Alessandro; Hurteau, Marie-France; Kuczynski, Victoria; Dambreville, Charline

2014-01-01

Stepping along curvilinear paths produces speed differences between the inner and outer limb(s). This can be reproduced experimentally by independently controlling left and right speeds with split-belt locomotion. Here we provide additional details on the pattern of the four limbs during quadrupedal split-belt locomotion in intact cats. Six cats performed tied-belt locomotion (same speed bilaterally) and split-belt locomotion where one side (constant side) stepped at constant treadmill speed while the other side (varying side) stepped at several speeds. Cycle, stance, and swing durations changed in parallel in homolateral limbs with shorter and longer stance and swing durations on the fast side, respectively, compared with the slow side. Phase variations were quantified in all four limbs by measuring the slopes of the regressions between stance and cycle durations (rSTA) and between swing and cycle durations (rSW). For a given limb, rSTA and rSW were not significantly different from one another on the constant side whereas on the varying side rSTA increased relative to tied-belt locomotion while rSW became more negative. Phase variations were similar for homolateral limbs. Increasing left-right speed differences produced a large increase in homolateral double support on the slow side, while triple-support periods decreased. Increasing left-right speed differences altered homologous coupling, homolateral coupling on the fast side, and coupling between the fast hindlimb and slow forelimb. Results indicate that homolateral limbs share similar control strategies, only certain features of the interlimb pattern adjust, and spinal locomotor networks of the left and right sides are organized symmetrically. PMID:25031257

Evaluation of Euler fluxes by a high-order CFD scheme: shock instability

NASA Astrophysics Data System (ADS)

Tu, Guohua; Zhao, Xiaohui; Mao, Meiliang; Chen, Jianqiang; Deng, Xiaogang; Liu, Huayong

2014-05-01

The construction of Euler fluxes is an important step in shock-capturing/upwind schemes. It is well known that unsuitable fluxes are responsible for many shock anomalies, such as the carbuncle phenomenon. Three kinds of flux vector splittings (FVSs) as well as three kinds of flux difference splittings (FDSs) are evaluated for the shock instability by a fifth-order weighted compact nonlinear scheme. The three FVSs are Steger-Warming splitting, van Leer splitting and kinetic flux vector splitting (KFVS). The three FDSs are Roe's splitting, advection upstream splitting method (AUSM) type splitting and Harten-Lax-van Leer (HLL) type splitting. Numerical results indicate that FVSs and high dissipative FDSs undergo a relative lower risk on the shock instability than that of low dissipative FDSs. However, none of the fluxes evaluated in the present study can entirely avoid the shock instability. Generally, the shock instability may be caused by any of the following factors: low dissipation, high Mach number, unsuitable grid distribution, large grid aspect ratio, and the relative shock-internal flow state (or position) between upstream and downstream shock waves. It comes out that the most important factor is the relative shock-internal state. If the shock-internal state is closer to the downstream state, the computation is at higher susceptibility to the shock instability. Wall-normal grid distribution has a greater influence on the shock instability than wall-azimuthal grid distribution because wall-normal grids directly impact on the shock-internal position. High shock intensity poses a high risk on the shock instability, but its influence is not as much as the shock-internal state. Large grid aspect ratio is also a source of the shock instability. Some results of a second-order scheme and a first-order scheme are also given. The comparison between the high-order scheme and the two low-order schemes indicates that high-order schemes are at a higher risk of the shock instability. Adding an entropy fix is very helpful in suppressing the shock instability for the two low-order schemes. When the high-order scheme is used, the entropy fix still works well for Roe's flux, but its effect on the Steger-Warming flux is trivial and not much clear.

Chromotomography for a rotating-prism instrument using backprojection, then filtering.

PubMed

Deming, Ross W

2006-08-01

A simple closed-form solution is derived for reconstructing a 3D spatial-chromatic image cube from a set of chromatically dispersed 2D image frames. The algorithm is tailored for a particular instrument in which the dispersion element is a matching set of mechanically rotated direct vision prisms positioned between a lens and a focal plane array. By using a linear operator formalism to derive the Tikhonov-regularized pseudoinverse operator, it is found that the unique minimum-norm solution is obtained by applying the adjoint operator, followed by 1D filtering with respect to the chromatic variable. Thus the filtering and backprojection (adjoint) steps are applied in reverse order relative to an existing method. Computational efficiency is provided by use of the fast Fourier transform in the filtering step.

Efficient high-order structure-preserving methods for the generalized Rosenau-type equation with power law nonlinearity

NASA Astrophysics Data System (ADS)

Cai, Jiaxiang; Liang, Hua; Zhang, Chun

2018-06-01

Based on the multi-symplectic Hamiltonian formula of the generalized Rosenau-type equation, a multi-symplectic scheme and an energy-preserving scheme are proposed. To improve the accuracy of the solution, we apply the composition technique to the obtained schemes to develop high-order schemes which are also multi-symplectic and energy-preserving respectively. Discrete fast Fourier transform makes a significant improvement to the computational efficiency of schemes. Numerical results verify that all the proposed schemes have satisfactory performance in providing accurate solution and preserving the discrete mass and energy invariants. Numerical results also show that although each basic time step is divided into several composition steps, the computational efficiency of the composition schemes is much higher than that of the non-composite schemes.

Segmentation, Splitting, and Classification of Overlapping Bacteria in Microscope Images for Automatic Bacterial Vaginosis Diagnosis.

PubMed

Song, Youyi; He, Liang; Zhou, Feng; Chen, Siping; Ni, Dong; Lei, Baiying; Wang, Tianfu

2017-07-01

Quantitative analysis of bacterial morphotypes in the microscope images plays a vital role in diagnosis of bacterial vaginosis (BV) based on the Nugent score criterion. However, there are two main challenges for this task: 1) It is quite difficult to identify the bacterial regions due to various appearance, faint boundaries, heterogeneous shapes, low contrast with the background, and small bacteria sizes with regards to the image. 2) There are numerous bacteria overlapping each other, which hinder us to conduct accurate analysis on individual bacterium. To overcome these challenges, we propose an automatic method in this paper to diagnose BV by quantitative analysis of bacterial morphotypes, which consists of a three-step approach, i.e., bacteria regions segmentation, overlapping bacteria splitting, and bacterial morphotypes classification. Specifically, we first segment the bacteria regions via saliency cut, which simultaneously evaluates the global contrast and spatial weighted coherence. And then Markov random field model is applied for high-quality unsupervised segmentation of small object. We then decompose overlapping bacteria clumps into markers, and associate a pixel with markers to identify evidence for eventual individual bacterium splitting. Next, we extract morphotype features from each bacterium to learn the descriptors and to characterize the types of bacteria using an Adaptive Boosting machine learning framework. Finally, BV diagnosis is implemented based on the Nugent score criterion. Experiments demonstrate that our proposed method achieves high accuracy and efficiency in computation for BV diagnosis.

Sampling the isothermal-isobaric ensemble by Langevin dynamics

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

Gao, Xingyu; Institute of Applied Physics and Computational Mathematics, Fenghao East Road 2, Beijing 100094; CAEP Software Center for High Performance Numerical Simulation, Huayuan Road 6, Beijing 100088

2016-03-28

We present a new method of conducting fully flexible-cell molecular dynamics simulation in isothermal-isobaric ensemble based on Langevin equations of motion. The stochastic coupling to all particle and cell degrees of freedoms is introduced in a correct way, in the sense that the stationary configurational distribution is proved to be consistent with that of the isothermal-isobaric ensemble. In order to apply the proposed method in computer simulations, a second order symmetric numerical integration scheme is developed by Trotter’s splitting of the single-step propagator. Moreover, a practical guide of choosing working parameters is suggested for user specified thermo- and baro-coupling timemore » scales. The method and software implementation are carefully validated by a numerical example.« less

Parallel Directionally Split Solver Based on Reformulation of Pipelined Thomas Algorithm

NASA Technical Reports Server (NTRS)

Povitsky, A.

1998-01-01

In this research an efficient parallel algorithm for 3-D directionally split problems is developed. The proposed algorithm is based on a reformulated version of the pipelined Thomas algorithm that starts the backward step computations immediately after the completion of the forward step computations for the first portion of lines This algorithm has data available for other computational tasks while processors are idle from the Thomas algorithm. The proposed 3-D directionally split solver is based on the static scheduling of processors where local and non-local, data-dependent and data-independent computations are scheduled while processors are idle. A theoretical model of parallelization efficiency is used to define optimal parameters of the algorithm, to show an asymptotic parallelization penalty and to obtain an optimal cover of a global domain with subdomains. It is shown by computational experiments and by the theoretical model that the proposed algorithm reduces the parallelization penalty about two times over the basic algorithm for the range of the number of processors (subdomains) considered and the number of grid nodes per subdomain.

In-Situ Formed Hydroxide Accelerating Water Dissociation Kinetics on Co3N for Hydrogen Production in Alkaline Solution.

PubMed

Xu, Zhe; Li, Wenchao; Yan, Yadong; Wang, HongXu; Zhu, Heng; Zhao, Meiming; Yan, Shicheng; Zou, Zhigang

2018-06-21

Sluggish water dissociation kinetics on nonprecious metal electrocatalysts limits the development of economical hydrogen production from water-alkali electrolyzers. Here, using Co 3 N electrocatalyst as a prototype, we find that during water splitting in alkaline electrolyte a cobalt-containing hydroxide formed on the surface of Co 3 N, which greatly decreased the activation energy of water dissociation (Volmer step, a main rate-determining step for water splitting in alkaline electrolytes). Combining the cobalt ion poisoning test and theoretical calculations, the efficient hydrogen production on Co 3 N electrocatalysts would benefit from favorable water dissociation on in-situ formed cobalt-containing hydroxide and low hydrogen production barrier on the nitrogen sites of Co 3 N. As a result, the Co 3 N catalyst exhibits a low water-splitting activation energy (26.57 kJ mol -1 ) that approaches the value of platinum electrodes (11.69 kJ mol -1 ). Our findings offer new insight into understanding the catalytic mechanism of nitride electrocatalysts, thus contributing to the development of economical hydrogen production in alkaline electrolytes.

An optical Fourier transform coprocessor with direct phase determination.

PubMed

Macfaden, Alexander J; Gordon, George S D; Wilkinson, Timothy D

2017-10-20

The Fourier transform is a ubiquitous mathematical operation which arises naturally in optics. We propose and demonstrate a practical method to optically evaluate a complex-to-complex discrete Fourier transform. By implementing the Fourier transform optically we can overcome the limiting O(nlogn) complexity of fast Fourier transform algorithms. Efficiently extracting the phase from the well-known optical Fourier transform is challenging. By appropriately decomposing the input and exploiting symmetries of the Fourier transform we are able to determine the phase directly from straightforward intensity measurements, creating an optical Fourier transform with O(n) apparent complexity. Performing larger optical Fourier transforms requires higher resolution spatial light modulators, but the execution time remains unchanged. This method could unlock the potential of the optical Fourier transform to permit 2D complex-to-complex discrete Fourier transforms with a performance that is currently untenable, with applications across information processing and computational physics.

Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources

DOE PAGES

Roseker, W.; Hruszkewycz, S. O.; Lehmkuhler, F.; ...

2018-04-27

One of the important challenges in condensed matter science is to understand ultrafast, atomic-scale fluctuations that dictate dynamic processes in equilibrium and non-equilibrium materials. Here, we report an important step towards reaching that goal by using a state-of-the-art perfect crystal based split-and-delay system, capable of splitting individual X-ray pulses and introducing femtosecond to nanosecond time delays. We show the results of an ultrafast hard X-ray photon correlation spectroscopy experiment at LCLS where split X-ray pulses were used to measure the dynamics of gold nanoparticles suspended in hexane. We show how reliable speckle contrast values can be extracted even from verymore » low intensity free electron laser (FEL) speckle patterns by applying maximum likelihood fitting, thus demonstrating the potential of a split-and-delay approach for dynamics measurements at FEL sources. This will enable the characterization of equilibrium and, importantly also reversible non-equilibrium processes in atomically disordered materials.« less

Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources

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

Roseker, W.; Hruszkewycz, S. O.; Lehmkuhler, F.

One of the important challenges in condensed matter science is to understand ultrafast, atomic-scale fluctuations that dictate dynamic processes in equilibrium and non-equilibrium materials. Here, we report an important step towards reaching that goal by using a state-of-the-art perfect crystal based split-and-delay system, capable of splitting individual X-ray pulses and introducing femtosecond to nanosecond time delays. We show the results of an ultrafast hard X-ray photon correlation spectroscopy experiment at LCLS where split X-ray pulses were used to measure the dynamics of gold nanoparticles suspended in hexane. We show how reliable speckle contrast values can be extracted even from verymore » low intensity free electron laser (FEL) speckle patterns by applying maximum likelihood fitting, thus demonstrating the potential of a split-and-delay approach for dynamics measurements at FEL sources. This will enable the characterization of equilibrium and, importantly also reversible non-equilibrium processes in atomically disordered materials.« less

The Finite-Surface Method for incompressible flow: a step beyond staggered grid

NASA Astrophysics Data System (ADS)

Hokpunna, Arpiruk; Misaka, Takashi; Obayashi, Shigeru

2017-11-01

We present a newly developed higher-order finite surface method for the incompressible Navier-Stokes equations (NSE). This method defines the velocities as a surface-averaged value on the surfaces of the pressure cells. Consequently, the mass conservation on the pressure cells becomes an exact equation. The only things left to approximate is the momentum equation and the pressure at the new time step. At certain conditions, the exact mass conservation enables the explicit n-th order accurate NSE solver to be used with the pressure treatment that is two or four order less accurate without loosing the apparent convergence rate. This feature was not possible with finite volume of finite difference methods. We use Fourier analysis with a model spectrum to determine the condition and found that the range covers standard boundary layer flows. The formal convergence and the performance of the proposed scheme is compared with a sixth-order finite volume method. Finally, the accuracy and performance of the method is evaluated in turbulent channel flows. This work is partially funded by a research colloaboration from IFS, Tohoku university and ASEAN+3 funding scheme from CMUIC, Chiang Mai University.

On-demand acoustic droplet splitting and steering in a disposable microfluidic chip.

PubMed

Park, Jinsoo; Jung, Jin Ho; Park, Kwangseok; Destgeer, Ghulam; Ahmed, Husnain; Ahmad, Raheel; Sung, Hyung Jin

2018-01-30

On-chip droplet splitting is one of the fundamental droplet-based microfluidic unit operations to control droplet volume after production and increase operational capability, flexibility, and throughput. Various droplet splitting methods have been proposed, and among them the acoustic droplet splitting method is promising because of its label-free operation without any physical or thermal damage to droplets. Previous acoustic droplet splitting methods faced several limitations: first, they employed a cross-type acoustofluidic device that precluded multichannel droplet splitting; second, they required irreversible bonding between a piezoelectric substrate and a microfluidic chip, such that the fluidic chip was not replaceable. Here, we present a parallel-type acoustofluidic device with a disposable microfluidic chip to address the limitations of previous acoustic droplet splitting devices. In the proposed device, an acoustic field is applied in the direction opposite to the flow direction to achieve multichannel droplet splitting and steering. A disposable polydimethylsiloxane microfluidic chip is employed in the developed device, thereby removing the need for permanent bonding and improving the flexibility of the droplet microfluidic device. We experimentally demonstrated on-demand acoustic droplet bi-splitting and steering with precise control over the droplet splitting ratio, and we investigated the underlying physical mechanisms of droplet splitting and steering based on Laplace pressure and ray acoustics analyses, respectively. We also demonstrated droplet tri-splitting to prove the feasibility of multichannel droplet splitting. The proposed on-demand acoustic droplet splitting device enables on-chip droplet volume control in various droplet-based microfluidic applications.

Stable and low diffusive hybrid upwind splitting methods

NASA Technical Reports Server (NTRS)

Coquel, Frederic; Liou, Meng-Sing

1992-01-01

A new concept for upwinding is introduced, named the hybrid upwind splitting (HUS), which is achieved by combining the basically distinct flux vector splitting (FVS) and the flux difference splitting (FDS) approaches. The HUS approach yields upwind methods which share the robustness of the FVS schemes in the capture of nonlinear waves and the accuracy of some of the FDS schemes. Numerical illustrations are presented proving the relevance of the HUS methods for viscous calculations.

A supertree pipeline for summarizing phylogenetic and taxonomic information for millions of species

PubMed Central

Redelings, Benjamin D.

2017-01-01

We present a new supertree method that enables rapid estimation of a summary tree on the scale of millions of leaves. This supertree method summarizes a collection of input phylogenies and an input taxonomy. We introduce formal goals and criteria for such a supertree to satisfy in order to transparently and justifiably represent the input trees. In addition to producing a supertree, our method computes annotations that describe which grouping in the input trees support and conflict with each group in the supertree. We compare our supertree construction method to a previously published supertree construction method by assessing their performance on input trees used to construct the Open Tree of Life version 4, and find that our method increases the number of displayed input splits from 35,518 to 39,639 and decreases the number of conflicting input splits from 2,760 to 1,357. The new supertree method also improves on the previous supertree construction method in that it produces no unsupported branches and avoids unnecessary polytomies. This pipeline is currently used by the Open Tree of Life project to produce all of the versions of project’s “synthetic tree” starting at version 5. This software pipeline is called “propinquity”. It relies heavily on “otcetera”—a set of C++ tools to perform most of the steps of the pipeline. All of the components are free software and are available on GitHub. PMID:28265520

Accelerating locomotor savings in learning: compressing four training days to one.

PubMed

Day, Kevin A; Leech, Kristan A; Roemmich, Ryan T; Bastian, Amy J

2018-06-01

Acquiring new movements requires the capacity of the nervous system to remember previously experienced motor patterns. The phenomenon of faster relearning after initial learning is termed "savings." Here we studied how savings of a novel walking pattern develops over several days of practice and how this process can be accelerated. We introduced participants to a split-belt treadmill adaptation paradigm for 30 min for 5 consecutive days. By training day 5, participants were able to produce near-perfect performance when switching between split and tied-belt environments. We found that this was due to their ability to shift specific elements of their stepping pattern to account for the split treadmill speeds from day to day. We also applied a state-space model to further characterize multiday locomotor savings. We then explored methods of achieving comparable savings with less total training time. We studied people training only on day 1, with either one extended split-belt exposure or alternating four times between split-belt and tied-belt conditions rapidly in succession. Both of these single-day training groups were tested again on day 5. Experiencing four abbreviated exposures on day 1 improved the performance on day 5 compared with one extended exposure on day 1. Moreover, this abbreviated group performed similarly to the group that trained for 4 consecutive days before testing on day 5, despite only having one-quarter of the total training time. These results demonstrate that we can leverage training structure to achieve a high degree of performance while minimizing training sessions. NEW & NOTEWORTHY Learning a new movement requires repetition. Here, we demonstrate how to more efficiently train an adapted walking pattern. By compressing split-belt treadmill training delivered over 4 days to four abbreviated bouts of training delivered on the first day of training, we were able to induce equivalent savings over a 5-day span. These results suggest that we can manipulate the delivery of training to most efficiently drive multiday learning of a novel walking pattern.

Improved FFT-based numerical inversion of Laplace transforms via fast Hartley transform algorithm

NASA Technical Reports Server (NTRS)

Hwang, Chyi; Lu, Ming-Jeng; Shieh, Leang S.

1991-01-01

The disadvantages of numerical inversion of the Laplace transform via the conventional fast Fourier transform (FFT) are identified and an improved method is presented to remedy them. The improved method is based on introducing a new integration step length Delta(omega) = pi/mT for trapezoidal-rule approximation of the Bromwich integral, in which a new parameter, m, is introduced for controlling the accuracy of the numerical integration. Naturally, this method leads to multiple sets of complex FFT computations. A new inversion formula is derived such that N equally spaced samples of the inverse Laplace transform function can be obtained by (m/2) + 1 sets of N-point complex FFT computations or by m sets of real fast Hartley transform (FHT) computations.

A Survey of the Use of Iterative Reconstruction Algorithms in Electron Microscopy

PubMed Central

Otón, J.; Vilas, J. L.; Kazemi, M.; Melero, R.; del Caño, L.; Cuenca, J.; Conesa, P.; Gómez-Blanco, J.; Marabini, R.; Carazo, J. M.

2017-01-01

One of the key steps in Electron Microscopy is the tomographic reconstruction of a three-dimensional (3D) map of the specimen being studied from a set of two-dimensional (2D) projections acquired at the microscope. This tomographic reconstruction may be performed with different reconstruction algorithms that can be grouped into several large families: direct Fourier inversion methods, back-projection methods, Radon methods, or iterative algorithms. In this review, we focus on the latter family of algorithms, explaining the mathematical rationale behind the different algorithms in this family as they have been introduced in the field of Electron Microscopy. We cover their use in Single Particle Analysis (SPA) as well as in Electron Tomography (ET). PMID:29312997

Investigation of gene expressions in differentiated cell derived bone marrow stem cells during bone morphogenetic protein-4 treatments with Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Zafari, Jaber; Jouni, Fatemeh Javani; Ahmadvand, Ali; Abdolmaleki, Parviz; Soodi, Malihe; Zendehdel, Rezvan

2017-02-01

A model was set up to predict the differentiation patterns based on the data extracted from FTIR spectroscopy. For this reason, bone marrow stem cells (BMSCs) were differentiated to primordial germ cells (PGCs). Changes in cellular macromolecules in the time of 0, 24, 48, 72, and 96 h of differentiation, as different steps of the differentiation procedure were investigated by using FTIR spectroscopy. Also, the expression of pluripotency (Oct-4, Nanog and c-Myc) and specific genes (Mvh, Stella and Fragilis) were investigated by real-time PCR. However, the expression of genes in five steps of differentiation was predicted by FTIR spectroscopy. FTIR spectra showed changes in the template of band intensities at different differentiation steps. There are increasing changes in the stepwise differentiation procedure for the ratio area of CH2, which is symmetric to CH2 asymmetric stretching. An ensemble of expert methods, including regression tree (RT), boosting algorithm (BA), and generalized regression neural network (GRNN), was the best method to predict the gene expression by FTIR spectroscopy. In conclusion, the model was able to distinguish the pattern of different steps from cell differentiation by using some useful features extracted from FTIR spectra.

Innovative design method of automobile profile based on Fourier descriptor

NASA Astrophysics Data System (ADS)

Gao, Shuyong; Fu, Chaoxing; Xia, Fan; Shen, Wei

2017-10-01

Aiming at the innovation of the contours of automobile side, this paper presents an innovative design method of vehicle side profile based on Fourier descriptor. The design flow of this design method is: pre-processing, coordinate extraction, standardization, discrete Fourier transform, simplified Fourier descriptor, exchange descriptor innovation, inverse Fourier transform to get the outline of innovative design. Innovative concepts of the innovative methods of gene exchange among species and the innovative methods of gene exchange among different species are presented, and the contours of the innovative design are obtained separately. A three-dimensional model of a car is obtained by referring to the profile curve which is obtained by exchanging xenogeneic genes. The feasibility of the method proposed in this paper is verified by various aspects.

Modeling the Gross-Pitaevskii Equation Using the Quantum Lattice Gas Method

NASA Astrophysics Data System (ADS)

Oganesov, Armen

We present an improved Quantum Lattice Gas (QLG) algorithm as a mesoscopic unitary perturbative representation of the mean field Gross Pitaevskii (GP) equation for Bose-Einstein Condensates (BECs). The method employs an interleaved sequence of unitary collide and stream operators. QLG is applicable to many different scalar potentials in the weak interaction regime and has been used to model the Korteweg-de Vries (KdV), Burgers and GP equations. It can be implemented on both quantum and classical computers and is extremely scalable. We present results for 1D soliton solutions with positive and negative internal interactions, as well as vector solitons with inelastic scattering. In higher dimensions we look at the behavior of vortex ring reconnection. A further improvement is considered with a proper operator splitting technique via a Fourier transformation. This is great for quantum computers since the quantum FFT is exponentially faster than its classical counterpart which involves non-local data on the entire lattice (Quantum FFT is the backbone of the Shor algorithm for quantum factorization). We also present an imaginary time method in which we transform the Schrodinger equation into a diffusion equation for recovering ground state initial conditions of a quantum system suitable for the QLG algorithm.

Disentangling the effects of forage, social rank, and risk on movement autocorrelation of elephants using Fourier and wavelet analyses

PubMed Central

Wittemyer, George; Polansky, Leo; Douglas-Hamilton, Iain; Getz, Wayne M.

2008-01-01

The internal state of an individual—as it relates to thirst, hunger, fear, or reproductive drive—can be inferred by referencing points on its movement path to external environmental and sociological variables. Using time-series approaches to characterize autocorrelative properties of step-length movements collated every 3 h for seven free-ranging African elephants, we examined the influence of social rank, predation risk, and seasonal variation in resource abundance on periodic properties of movement. The frequency domain methods of Fourier and wavelet analyses provide compact summaries of temporal autocorrelation and show both strong diurnal and seasonal based periodicities in the step-length time series. This autocorrelation is weaker during the wet season, indicating random movements are more common when ecological conditions are good. Periodograms of socially dominant individuals are consistent across seasons, whereas subordinate individuals show distinct differences diverging from that of dominants during the dry season. We link temporally localized statistical properties of movement to landscape features and find that diurnal movement correlation is more common within protected wildlife areas, and multiday movement correlations found among lower ranked individuals are typically outside of protected areas where predation risks are greatest. A frequency-related spatial analysis of movement-step lengths reveal that rest cycles related to the spatial distribution of critical resources (i.e., forage and water) are responsible for creating the observed patterns. Our approach generates unique information regarding the spatial-temporal interplay between environmental and individual characteristics, providing an original approach for understanding the movement ecology of individual animals and the spatial organization of animal populations. PMID:19060207

Atom beams split by gentle persuasion

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

Pool, R.

1994-02-25

Two different research teams have taken a big step toward atom interferometry. They have succeeded in splitting atomic beams by using atoms in spin states that neither absorb nor reemit laser light. By proper adjustment of experimental conditions, atoms are changed from one spin state to another, without passing through the intermediary excited state. The atoms in essence absorb momentum from the laser photons, without absorption or emission of photons. The change in momentum deflects atoms in the proper spin state.

A Fourier Method for Sidelobe Reduction in Equally Spaced Linear Arrays

NASA Astrophysics Data System (ADS)

Safaai-Jazi, Ahmad; Stutzman, Warren L.

2018-04-01

Uniformly excited, equally spaced linear arrays have a sidelobe level larger than -13.3 dB, which is too high for many applications. This limitation can be remedied by nonuniform excitation of array elements. We present an efficient method for sidelobe reduction in equally spaced linear arrays with low penalty on the directivity. The method involves the following steps: construction of a periodic function containing only the sidelobes of the uniformly excited array, calculation of the Fourier series of this periodic function, subtracting the series from the array factor of the original uniformly excited array after it is truncated, and finally mitigating the truncation effects which yields significant increase in sidelobe level reduction. A sidelobe reduction factor is incorporated into element currents that makes much larger sidelobe reductions possible and also allows varying the sidelobe level incrementally. It is shown that such newly formed arrays can provide sidelobe levels that are at least 22.7 dB below those of the uniformly excited arrays with the same size and number of elements. Analytical expressions for element currents are presented. Radiation characteristics of the sidelobe-reduced arrays introduced here are examined, and numerical results for directivity, sidelobe level, and half-power beam width are presented for example cases. Performance improvements over popular conventional array synthesis methods, such as Chebyshev and linear current tapered arrays, are obtained with the new method.

A novel frequency analysis method for assessing K(ir)2.1 and Na (v)1.5 currents.

PubMed

Rigby, J R; Poelzing, S

2012-04-01

Voltage clamping is an important tool for measuring individual currents from an electrically active cell. However, it is difficult to isolate individual currents without pharmacological or voltage inhibition. Herein, we present a technique that involves inserting a noise function into a standard voltage step protocol, which allows one to characterize the unique frequency response of an ion channel at different step potentials. Specifically, we compute the fast Fourier transform for a family of current traces at different step potentials for the inward rectifying potassium channel, K(ir)2.1, and the channel encoding the cardiac fast sodium current, Na(v)1.5. Each individual frequency magnitude, as a function of voltage step, is correlated to the peak current produced by each channel. The correlation coefficient vs. frequency relationship reveals that these two channels are associated with some unique frequencies with high absolute correlation. The individual IV relationship can then be recreated using only the unique frequencies with magnitudes of high absolute correlation. Thus, this study demonstrates that ion channels may exhibit unique frequency responses.

Changes in the dielectric properties of a plant stem produced by the application of voltage steps

NASA Astrophysics Data System (ADS)

Hart, F. X.

1983-03-01

Time Domain Dielectric Spectroscopy (TDDS) provides a useful method for monitoring the physiological state of a biological system which may be changing with time. A voltage step is applied to a sample and the Fourier Transform of the resulting current yields the variations of the conductance, capacitance and dielectric loss of the sample with frequency (dielectric spectrum). An important question is whether the application of the voltage step itself can produce changes which obscure those of interest. Long term monitoring of the dielectric properties of plant stems requires the use of needle electrodes with relatively large current densities and field strengths at the electrode-stem interface. Steady currents on the order of those used in TDDS have been observed to modify the distribution of plant growth hormones, to produce wounding at electrode sites, and to cause stem collapse. This paper presents the preliminary results of an investigation into the effects of the application of voltage steps on the observed dielectric spectrum of the stem of the plant Coleus.

Temporal rainfall disaggregation using a multiplicative cascade model for spatial application in urban hydrology

NASA Astrophysics Data System (ADS)

Müller, H.; Haberlandt, U.

2018-01-01

Rainfall time series of high temporal resolution and spatial density are crucial for urban hydrology. The multiplicative random cascade model can be used for temporal rainfall disaggregation of daily data to generate such time series. Here, the uniform splitting approach with a branching number of 3 in the first disaggregation step is applied. To achieve a final resolution of 5 min, subsequent steps after disaggregation are necessary. Three modifications at different disaggregation levels are tested in this investigation (uniform splitting at Δt = 15 min, linear interpolation at Δt = 7.5 min and Δt = 3.75 min). Results are compared both with observations and an often used approach, based on the assumption that a time steps with Δt = 5.625 min, as resulting if a branching number of 2 is applied throughout, can be replaced with Δt = 5 min (called the 1280 min approach). Spatial consistence is implemented in the disaggregated time series using a resampling algorithm. In total, 24 recording stations in Lower Saxony, Northern Germany with a 5 min resolution have been used for the validation of the disaggregation procedure. The urban-hydrological suitability is tested with an artificial combined sewer system of about 170 hectares. The results show that all three variations outperform the 1280 min approach regarding reproduction of wet spell duration, average intensity, fraction of dry intervals and lag-1 autocorrelation. Extreme values with durations of 5 min are also better represented. For durations of 1 h, all approaches show only slight deviations from the observed extremes. The applied resampling algorithm is capable to achieve sufficient spatial consistence. The effects on the urban hydrological simulations are significant. Without spatial consistence, flood volumes of manholes and combined sewer overflow are strongly underestimated. After resampling, results using disaggregated time series as input are in the range of those using observed time series. Best overall performance regarding rainfall statistics are obtained by the method in which the disaggregation process ends at time steps with 7.5 min duration, deriving the 5 min time steps by linear interpolation. With subsequent resampling this method leads to a good representation of manhole flooding and combined sewer overflow volume in terms of hydrological simulations and outperforms the 1280 min approach.

Development of a new flux splitting scheme

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Steffen, Christopher J., Jr.

1991-01-01

The use of a new splitting scheme, the advection upstream splitting method, for model aerodynamic problems where Van Leer and Roe schemes had failed previously is discussed. The present scheme is based on splitting in which the convective and pressure terms are separated and treated differently depending on the underlying physical conditions. The present method is found to be both simple and accurate.

Development of a new flux splitting scheme

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Steffen, Christopher J., Jr.

1991-01-01

The successful use of a novel splitting scheme, the advection upstream splitting method, for model aerodynamic problems where Van Leer and Roe schemes had failed previously is discussed. The present scheme is based on splitting in which the convective and pressure terms are separated and treated differently depending on the underlying physical conditions. The present method is found to be both simple and accurate.

Effects of Rashba spin-orbit coupling, Zeeman splitting and gyrotropy in two-dimensional cavity polaritons under the influence of the Landau quantization

NASA Astrophysics Data System (ADS)

Moskalenko, Sveatoslav A.; Podlesny, Igor V.; Dumanov, Evgheni V.; Liberman, Michael A.

2015-09-01

We consider the energy spectrum of the two-dimensional cavity polaritons under the influence of a strong magnetic and electric fields perpendicular to the surface of the GaAs-type quantum wells (QWs) with p-type valence band embedded into the resonators. As the first step in this direction the Landau quantization (LQ) of the electrons and heavy-holes (hh) was investigated taking into account the Rashba spin-orbit coupling (RSOC) with third-order chirality terms for hh and with nonparabolicity terms in their dispersion low including as well the Zeeman splitting (ZS) effects. The nonparabolicity term is proportional to the strength of the electric field and was introduced to avoid the collapse of the semiconductor energy gap under the influence of the third order chirality terms. The exact solutions for the eigenfunctions and eigenenergies were obtained using the Rashba method [E.I. Rashba, Fiz. Tverd. Tela 2, 1224 (1960) [Sov. Phys. Solid State 2, 1109 (1960)

Edge-augmented Fourier partial sums with applications to Magnetic Resonance Imaging (MRI)

NASA Astrophysics Data System (ADS)

Larriva-Latt, Jade; Morrison, Angela; Radgowski, Alison; Tobin, Joseph; Iwen, Mark; Viswanathan, Aditya

2017-08-01

Certain applications such as Magnetic Resonance Imaging (MRI) require the reconstruction of functions from Fourier spectral data. When the underlying functions are piecewise-smooth, standard Fourier approximation methods suffer from the Gibbs phenomenon - with associated oscillatory artifacts in the vicinity of edges and an overall reduced order of convergence in the approximation. This paper proposes an edge-augmented Fourier reconstruction procedure which uses only the first few Fourier coefficients of an underlying piecewise-smooth function to accurately estimate jump information and then incorporate it into a Fourier partial sum approximation. We provide both theoretical and empirical results showing the improved accuracy of the proposed method, as well as comparisons demonstrating superior performance over existing state-of-the-art sparse optimization-based methods.

Empirical Analysis of the Photoelectrochemical Impedance Response of Hematite Photoanodes for Water Photo-oxidation.

PubMed

Klotz, Dino; Grave, Daniel A; Dotan, Hen; Rothschild, Avner

2018-03-15

Photoelectrochemical impedance spectroscopy (PEIS) is a useful tool for the characterization of photoelectrodes for solar water splitting. However, the analysis of PEIS spectra often involves a priori assumptions that might bias the results. This work puts forward an empirical method that analyzes the distribution of relaxation times (DRT), obtained directly from the measured PEIS spectra of a model hematite photoanode. By following how the DRT evolves as a function of control parameters such as the applied potential and composition of the electrolyte solution, we obtain unbiased insights into the underlying mechanisms that shape the photocurrent. In a subsequent step, we fit the data to a process-oriented equivalent circuit model (ECM) whose makeup is derived from the DRT analysis in the first step. This yields consistent quantitative trends of the dominant polarization processes observed. Our observations reveal a common step for the photo-oxidation reactions of water and H 2 O 2 in alkaline solution.

Well-balanced compressible cut-cell simulation of atmospheric flow.

PubMed

Klein, R; Bates, K R; Nikiforakis, N

2009-11-28

Cut-cell meshes present an attractive alternative to terrain-following coordinates for the representation of topography within atmospheric flow simulations, particularly in regions of steep topographic gradients. In this paper, we present an explicit two-dimensional method for the numerical solution on such meshes of atmospheric flow equations including gravitational sources. This method is fully conservative and allows for time steps determined by the regular grid spacing, avoiding potential stability issues due to arbitrarily small boundary cells. We believe that the scheme is unique in that it is developed within a dimensionally split framework, in which each coordinate direction in the flow is solved independently at each time step. Other notable features of the scheme are: (i) its conceptual and practical simplicity, (ii) its flexibility with regard to the one-dimensional flux approximation scheme employed, and (iii) the well-balancing of the gravitational sources allowing for stable simulation of near-hydrostatic flows. The presented method is applied to a selection of test problems including buoyant bubble rise interacting with geometry and lee-wave generation due to topography.

Calculation of reinforced-concrete frame strength under a simultaneous static cross section load and a column lateral impact

NASA Astrophysics Data System (ADS)

Belov, Nikolay; Yugov, Nikolay; Kopanitsa, Dmitry; Kopanitsa, Georgy; Yugov, Alexey; Kaparulin, Sergey; Plyaskin, Andrey; Kalichkina, Anna; Ustinov, Artyom

2016-01-01

When designing buildings with reinforced concrete that are planned to resist dynamic loads it is necessary to calculate this structural behavior under operational static and emergency impact and blast loads. Calculations of the structures under shock-wave loads can be performed by solving dynamic equations that do not consider static loads. Due to this fact the calculation of reinforced concrete frame under a simultaneous static and dynamic load in full 3d settings becomes a very non trivial and resource consuming problem. This problem can be split into two tasks. The first one is a shock-wave problem that can be solved using software package RANET-3, which allows solving the problem using finite elements method adapted for dynamic task. This method calculates strain-stress state of the material and its dynamic destruction, which is considered as growth and consolidation of micro defects under loading. On the second step the results of the first step are taken as input parameters for quasi static calculation of simultaneous static and dynamic load using finite elements method in AMP Civil Engineering-11.

Finite difference time domain calculation of transients in antennas with nonlinear loads

NASA Technical Reports Server (NTRS)

Luebbers, Raymond J.; Beggs, John H.; Kunz, Karl S.; Chamberlin, Kent

1991-01-01

Determining transient electromagnetic fields in antennas with nonlinear loads is a challenging problem. Typical methods used involve calculating frequency domain parameters at a large number of different frequencies, then applying Fourier transform methods plus nonlinear equation solution techniques. If the antenna is simple enough so that the open circuit time domain voltage can be determined independently of the effects of the nonlinear load on the antennas current, time stepping methods can be applied in a straightforward way. Here, transient fields for antennas with more general geometries are calculated directly using Finite Difference Time Domain (FDTD) methods. In each FDTD cell which contains a nonlinear load, a nonlinear equation is solved at each time step. As a test case, the transient current in a long dipole antenna with a nonlinear load excited by a pulsed plane wave is computed using this approach. The results agree well with both calculated and measured results previously published. The approach given here extends the applicability of the FDTD method to problems involving scattering from targets, including nonlinear loads and materials, and to coupling between antennas containing nonlinear loads. It may also be extended to propagation through nonlinear materials.

A Scale-Invariant ``Discrete-Time'' Balitsky--Kovchegov Equation

NASA Astrophysics Data System (ADS)

Bialas, A.; Peschanski, R.

2005-06-01

We consider a version of QCD dipole cascading corresponding to a finite number n of discrete Δ Y steps of branching in rapidity. Using the discretization scheme preserving the holomorphic factorizability and scale-invariance in position space of the dipole splitting function, we derive an exact recurrence formula from step to step which plays the rôle of a ``discrete-time'' Balitsky--Kovchegov equation. The BK solutions are recovered in the limit n=∞ and Δ Y=0.

Characterization and validation of a split belt treadmill for measuring hindlimb ground-reaction forces in able-bodied and spinalized felines

PubMed Central

Dimiskovski, Marko; Scheinfield, Richard; Higgin, Dwight; Krupka, Alexander; Lemay, Michel A.

2017-01-01

BACKGROUND The measurement of ground reaction forces (GRFs) in animals trained to locomote on a treadmill after spinal cord injury (SCI) could prove valuable for evaluating training outcomes; however, quantitative measures of the GRFs in spinal felines are limited. NEW METHOD A split belt treadmill was designed and constructed to measure the GRFs of feline hindlimbs during stepping. The treadmill consists of two independent treadmill assemblies, each mounted on a force plate. The design allows measurements of the vertical (Fz), fore-aft (Fy) and mediolateral (Fx) ground-reaction forces for both hindlimbs while the forelimbs are resting on a platform. RESULTS Static and dynamic noise tests revealed little to no noise at frequencies below 6 Hz. Validation of the force plate measurements with a hand-held force sensor force showed good agreement between the two force readings. Peak normalized (to body mass) vertical GRFs for intact cats were 4.89±0.85N/Kg for the left hindlimb and 4.79±0.97N/Kg for the right. In comparison, trained spinalized cats peak normalized vertical GRFs were 2.20±0.94N/Kg for the left hindlimb and 2.85±0.99N/Kg for the right. COMPARISON WITH OTHER EXISTING METHODS Previous methods of measuring GRFs used stationary single force plates or treadmill mounted to single force plate. Using independent treadmills for each hindlimb allows measurement of the individual hindlimb’s GRFs in spinalized cats following body-weight supported treadmill training. CONCLUSIONS The split belt force treadmill enables the simultaneous recording of ground-reaction forces for both hindlimbs in cats prior to spinalization, and following spinalization and body-weight-supported treadmill training (BWST). PMID:28069392

Optical design of cipher block chaining (CBC) encryption mode by using digital holography

NASA Astrophysics Data System (ADS)

Gil, Sang Keun; Jeon, Seok Hee; Jung, Jong Rae; Kim, Nam

2016-03-01

We propose an optical design of cipher block chaining (CBC) encryption by using digital holographic technique, which has higher security than the conventional electronic method because of the analog-type randomized cipher text with 2-D array. In this paper, an optical design of CBC encryption mode is implemented by 2-step quadrature phase-shifting digital holographic encryption technique using orthogonal polarization. A block of plain text is encrypted with the encryption key by applying 2-step phase-shifting digital holography, and it is changed into cipher text blocks which are digital holograms. These ciphered digital holograms with the encrypted information are Fourier transform holograms and are recorded on CCDs with 256 gray levels quantized intensities. The decryption is computed by these encrypted digital holograms of cipher texts, the same encryption key and the previous cipher text. Results of computer simulations are presented to verify that the proposed method shows the feasibility in the high secure CBC encryption system.

Cool covered sky-splitting spectrum-splitting FK

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

Mohedano, Rubén; Chaves, Julio; Falicoff, Waqidi

2014-09-26

Placing a plane mirror between the primary lens and the receiver in a Fresnel Köhler (FK) concentrator gives birth to a quite different CPV system where all the high-tech components sit on a common plane, that of the primary lens panels. The idea enables not only a thinner device (a half of the original) but also a low cost 1-step manufacturing process for the optics, automatic alignment of primary and secondary lenses, and cell/wiring protection. The concept is also compatible with two different techniques to increase the module efficiency: spectrum splitting between a 3J and a BPC Silicon cell formore » better usage of Direct Normal Irradiance DNI, and sky splitting to harvest the energy of the diffuse radiation and higher energy production throughout the year. Simple calculations forecast the module would convert 45% of the DNI into electricity.« less

High quantum-yield phosphors via quantum splitting and upconversion

NASA Astrophysics Data System (ADS)

Jeong, Joayoung

The Gd3+ ion has been used to induce quantum splitting in luminescent materials by using cross-relaxation energy transfer (CRET). In Nd:LiGdF4, quantum splitting results from a two-step CRET between Gd3+ and Nd3+, first involving a transition 6G→6I on Gd3+ and an excitation within the 4f3 configuration of Nd3+ followed by a second CRET that brings Gd3+ to 6P7/2. The excited Nd3+ ion rapidly relaxes nonradiatively to the emitting 4F3/2. The excited Gd3+ ion then transfers its energy back to Nd3+, which gives rise to the second photon. The result is a quantum yield of 1.05 +/- 0.35 with emission in the NIR following excitation at 175 nm. GdF3:Pr3+, Eu 3+ also exhibits quantum splitting, but only at very low concentration of Pr3+ (0.3%) and Eu3+ (0.2%), resulting in a quantum yield of approximately 20% under 160-nm excitation. Host intrinsic emission via a self-trapped exciton (STE) was also examined as a means to sensitize Gd3+ emission. The material ScPO4:Gd 3+ exhibits a high absolute quantum yield of 0.9 +/- 0.2 under 170-nm excitation, demonstrating a potentially new and efficient pathway for exciting quantum splitting phosphors. Single crystals of the material GdZrF7 were grown, and its structure was established via single-crystal X-ray diffraction methods. Doped samples of GdZrF7:Yb3+, Er3+ exhibit bright up-conversion luminescence with light output that is up to twice that of a commercial material based on the host Gd2O2S. When doped with Eu3+, the fluoride also emits a nearly white color under vacuum ultraviolet excitation with an absolute quantum yield near 0.9. The new compound Gd4.67(SiO4)3S was synthesized and studied. The structure was established via single-crystal X-ray methods, and the luminescence of Tb3+ samples was investigated.

Evaluation of new collision-pair selection models in DSMC

NASA Astrophysics Data System (ADS)

Akhlaghi, Hassan; Roohi, Ehsan

2017-10-01

The current paper investigates new collision-pair selection procedures in a direct simulation Monte Carlo (DSMC) method. Collision partner selection based on the random procedure from nearest neighbor particles and deterministic selection of nearest neighbor particles have already been introduced as schemes that provide accurate results in a wide range of problems. In the current research, new collision-pair selections based on the time spacing and direction of the relative movement of particles are introduced and evaluated. Comparisons between the new and existing algorithms are made considering appropriate test cases including fluctuations in homogeneous gas, 2D equilibrium flow, and Fourier flow problem. Distribution functions for number of particles and collisions in cell, velocity components, and collisional parameters (collision separation, time spacing, relative velocity, and the angle between relative movements of particles) are investigated and compared with existing analytical relations for each model. The capability of each model in the prediction of the heat flux in the Fourier problem at different cell numbers, numbers of particles, and time steps is examined. For new and existing collision-pair selection schemes, the effect of an alternative formula for the number of collision-pair selections and avoiding repetitive collisions are investigated via the prediction of the Fourier heat flux. The simulation results demonstrate the advantages and weaknesses of each model in different test cases.

Direct and simultaneous detection of organic and inorganic ingredients in herbal powder preparations by Fourier transform infrared microspectroscopic imaging

NASA Astrophysics Data System (ADS)

Chen, Jian-bo; Sun, Su-qin; Tang, Xu-dong; Zhang, Jing-zhao; Zhou, Qun

2016-08-01

Herbal powder preparation is a kind of widely-used herbal product in the form of powder mixture of herbal ingredients. Identification of herbal ingredients is the first and foremost step in assuring the quality, safety and efficacy of herbal powder preparations. In this research, Fourier transform infrared (FT-IR) microspectroscopic identification method is proposed for the direct and simultaneous recognition of multiple organic and inorganic ingredients in herbal powder preparations. First, the reference spectrum of characteristic particles of each herbal ingredient is assigned according to FT-IR results and other available information. Next, a statistical correlation threshold is determined as the lower limit of correlation coefficients between the reference spectrum and a larger number of calibration characteristic particles. After validation, the reference spectrum and correlation threshold can be used to identify herbal ingredient in mixture preparations. A herbal ingredient is supposed to be present if correlation coefficients between the reference spectrum and some sample particles are above the threshold. Using this method, all kinds of herbal materials in powder preparation Kouqiang Kuiyang San are identified successfully. This research shows the potential of FT-IR microspectroscopic identification method for the accurate and quick identification of ingredients in herbal powder preparations.

Two-body potential model based on cosine series expansion for ionic materials

DOE PAGES

Oda, Takuji; Weber, William J.; Tanigawa, Hisashi

2015-09-23

There is a method to construct a two-body potential model for ionic materials with a Fourier series basis and we examine it. For this method, the coefficients of cosine basis functions are uniquely determined by solving simultaneous linear equations to minimize the sum of weighted mean square errors in energy, force and stress, where first-principles calculation results are used as the reference data. As a validation test of the method, potential models for magnesium oxide are constructed. The mean square errors appropriately converge with respect to the truncation of the cosine series. This result mathematically indicates that the constructed potentialmore » model is sufficiently close to the one that is achieved with the non-truncated Fourier series and demonstrates that this potential virtually provides minimum error from the reference data within the two-body representation. The constructed potential models work appropriately in both molecular statics and dynamics simulations, especially if a two-step correction to revise errors expected in the reference data is performed, and the models clearly outperform two existing Buckingham potential models that were tested. Moreover, the good agreement over a broad range of energies and forces with first-principles calculations should enable the prediction of materials behavior away from equilibrium conditions, such as a system under irradiation.« less

Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity

DOE PAGES

Vasudevan, Rama K.; Belianinov, Alex; Gianfrancesco, Anthony G.; ...

2015-03-03

Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of themore » Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.« less

Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity

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

Vasudevan, Rama K.; Belianinov, Alex; Gianfrancesco, Anthony G.

Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of themore » Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.« less

Using a split luciferase assay (SLA) to measure the kinetics of cell-cell fusion mediated by herpes simplex virus glycoproteins.

PubMed

Saw, Wan Ting; Matsuda, Zene; Eisenberg, Roselyn J; Cohen, Gary H; Atanasiu, Doina

2015-11-15

Herpes simplex virus (HSV) entry and cell-cell fusion require the envelope proteins gD, gH/gL and gB. We propose that receptor-activated conformational changes to gD activate gH/gL, which then triggers gB (the fusogen) into an active form. To study this dynamic process, we have adapted a dual split protein assay originally developed to study the kinetics of human immunodeficiency virus (HIV) mediated fusion. This assay uses a chimera of split forms of renilla luciferase (RL) and green fluorescent protein (GFP). Effector cells are co-transfected with the glycoproteins and one of the split reporters. Receptor-bearing target cells are transfected with the second reporter. Co-culture results in fusion and restoration of RL, which can convert a membrane permeable substrate into a luminescent product, thereby enabling one to monitor initiation and extent of fusion in live cells in real time. Restoration of GFP can also be studied by fluorescence microscopy. Two sets of split reporters have been developed: the original one allows one to measure fusion kinetics over hours whereas the more recent version was designed to enhance the sensitivity of RL activity allowing one to monitor both initiation and rates of fusion in minutes. Here, we provide a detailed, step-by-step protocol for the optimization of the assay (which we call the SLA for split luciferase assay) using the HSV system. We also show several examples of the power of this assay to examine both the initiation and kinetics of cell-cell fusion by wild type forms of gD, gB, gH/gL of both serotypes of HSV as well as the effect of mutations and antibodies that alter the kinetics of fusion. The SLA can be applied to other viral systems that carry out membrane fusion. Copyright © 2015 Elsevier Inc. All rights reserved.

Using a Split Luciferase Assay (SLA) to measure the kinetics of cell-cell fusion mediated by herpes simplex virus glycoproteins

PubMed Central

Saw, Wan Ting; Matsuda, Zene; Eisenberg, Roselyn J; Cohen, Gary H; Atanasiu, Doina

2015-01-01

Herpes simplex virus (HSV) entry and cell-cell fusion require the envelope proteins gD, gH/gL and gB. We propose that receptor-activated conformational changes to gD activate gH/gL, which then triggers gB (the fusogen) into an active form. To study this dynamic process, we have adapted a dual split protein assay originally developed to study the kinetics of human immunodeficiency virus (HIV) mediated fusion. This assay uses a chimera of split forms of renilla luciferase (RL) and green fluorescent protein (GFP). Effector cells are co-transfected with the glycoproteins and one of the split reporters. Receptor-bearing target cells are transfected with the second reporter. Co-culture results in fusion and restoration of RL, which can convert a membrane permeable substrate into a luminescent product, thereby enabling one to monitor initiation and extent of fusion in live cells in real time. Restoration of GFP can also be studied by fluorescence microscopy. Two sets of split reporters have been developed: the original one allows one to measure fusion kinetics over hours whereas the more recent version was designed to enhance the sensitivity of RL activity allowing one to monitor both initiation and rates of fusion in minutes. Here, we provide a detailed, step-by-step protocol for the optimization of the assay (which we call the SLA for split luciferase assay) using the HSV system. We also show several examples of the power of this assay to examine both the initiation and kinetics of cell-cell fusion by wild type forms of gD, gB, gH/gL of both serotypes of HSV as well as the effect of mutations and antibodies that alter the kinetics of fusion. The SLA can be applied to other viral systems that carry out membrane fusion. PMID:26022509

Splitting methods for low Mach number Euler and Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Abarbanel, Saul; Dutt, Pravir; Gottlieb, David

1987-01-01

Examined are some splitting techniques for low Mach number Euler flows. Shortcomings of some of the proposed methods are pointed out and an explanation for their inadequacy suggested. A symmetric splitting for both the Euler and Navier-Stokes equations is then presented which removes the stiffness of these equations when the Mach number is small. The splitting is shown to be stable.

The rotational spectrum of the water-hydroperoxy radical (H2O-HO2) complex.

PubMed

Suma, Kohsuke; Sumiyoshi, Yoshihiro; Endo, Yasuki

2006-03-03

Peroxy radicals and their derivatives are elusive but important intermediates in a wide range of oxidation processes. We observed pure rotational transitions of the water-hydroperoxy radical complex, H2O-HO2, in a supersonic jet by means of a Fourier transform microwave spectrometer combined with a double-resonance technique. The observed rotational transitions were found to split into two components because of the internal rotation of the water moiety. The molecular constants for the two components were determined precisely, supporting a molecular structure in which HO2 acts as a proton donor to form a nearly planar five-membered ring, and one hydrogen atom of water sticks out from the ring plane. The structure and the spectral splittings due to internal rotation provide information on the nature of the bonding interaction between open- and closed-shell species, and they also provide accurate transition frequencies that are applicable to remote sensing of this complex, which may elucidate its potential roles in atmospheric and combustion chemistry.

The effect of high hydrostatic pressure treatment on the molecular structure of starches with different amylose content.

PubMed

Szwengiel, Artur; Lewandowicz, Grażyna; Górecki, Adrian R; Błaszczak, Wioletta

2018-02-01

The effect of high hydrostatic pressure processing (650MPa/9min) on molecular mass distribution, and hydrodynamic and structural parameters of amylose (maize, sorghum, Hylon VII) and amylopectin (waxy maize, amaranth) starches was studied. The starches were characterized by high-performance size-exclusion chromatography (HPSEC) equipped with static light scattering and refractive index detectors and by Fourier Transform Infrared (FTIR) spectroscopy. Significant changes were observed in molecular mass distribution of pressurized waxy maize starch. Changes in branches/branch frequency, intrinsic viscosity, and radius of gyration were observed for all treated starches. The combination of SEC and FTIR data showed that α-1,6-glycosidic bonds are more frequently split in pressurized amaranth, Hylon VII, and waxy maize starch, while in sorghum and maize starches, the α-1,4 bonds are most commonly split. Our results show that the structural changes found for pressurized starches were more strongly determined by the starch origin than by the processing applied. Copyright © 2017 Elsevier Ltd. All rights reserved.

Acoustic dispersive prism.

PubMed

Esfahlani, Hussein; Karkar, Sami; Lissek, Herve; Mosig, Juan R

2016-01-07

The optical dispersive prism is a well-studied element, which allows separating white light into its constituent spectral colors, and stands in nature as water droplets. In analogy to this definition, the acoustic dispersive prism should be an acoustic device with capability of splitting a broadband acoustic wave into its constituent Fourier components. However, due to the acoustical nature of materials as well as the design and fabrication difficulties, there is neither any natural acoustic counterpart of the optical prism, nor any artificial design reported so far exhibiting an equivalent acoustic behaviour. Here, based on exotic properties of the acoustic transmission-line metamaterials and exploiting unique physical behaviour of acoustic leaky-wave radiation, we report the first acoustic dispersive prism, effective within the audible frequency range 800 Hz-1300 Hz. The dispersive nature, and consequently the frequency-dependent refractive index of the metamaterial are exploited to split the sound waves towards different and frequency-dependent directions. Meanwhile, the leaky-wave nature of the structure facilitates the sound wave radiation into the ambient medium.

[Research on improving spectrum resolution of optimized Wollaston prism array].

PubMed

Zhang, Peng; Wang, Jian-Rong; Zhang, Guo-Chen; Hou, Wen

2011-11-01

In order to not affect the image quality of interference fringes on the basis of the structure by increasing the structure angle of Wollaston prism to improve spectrum resolution, the authors optimized the structure of Wollaston prism. Calculating the function of the splitting angle and the structure angle, analysis indicated that taking the isosceles triangle prism with the same nature of the second wedge-shaped prism after the Wollaston prism, which makes the o and e light parallel to the optical axis, and alpha=0 degrees, the imaging interference fringes are no longer affected by changes in the splitting angle. Several optimized Wollaston prisms were made as an array to improve the spectral resolution. Experiments used traditional and optimized Wollaston prism array to detect the spectrum of the 980 nm laser. Experimental data showed that using optimized Wollaston prism array gets a clearer contrast of interference fringes, and the spectral data with Fourier transform are more accurate with DSP.

Temporal and frequency characteristics of a narrow light beam in sea water.

PubMed

Luchinin, Alexander G; Kirillin, Mikhail Yu

2016-09-20

The structure of a light field in sea water excited by a unidirectional point-sized pulsed source is studied by Monte Carlo technique. The pulse shape registered at the distances up to 120 m from the source on the beam axis and in its axial region is calculated with a time resolution of 1 ps. It is shown that with the increase of the distance from the source the pulse splits into two parts formed by components of various scattering orders. Frequency and phase responses of the beam are calculated by means of the fast Fourier transform. It is also shown that for higher frequencies, the attenuation of harmonic components of the field is larger. In the range of parameters corresponding to pulse splitting on the beam axis, the attenuation of harmonic components in particular spectral ranges exceeds the attenuation predicted by Bouguer law. In this case, the transverse distribution of the amplitudes of these harmonics is minimal on the beam axis.

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

Yu, Yao; Chen, Josephine; Leary, Celeste I.

Radiation of the low neck can be accomplished using split-field intensity-modulated radiation therapy (sf-IMRT) or extended-field intensity-modulated radiation therapy (ef-IMRT). We evaluated the effect of these treatment choices on target coverage and thyroid and larynx doses. Using data from 14 patients with cancers of the oropharynx, we compared the following 3 strategies for radiating the low neck: (1) extended-field IMRT, (2) traditional split-field IMRT with an initial cord-junction block to 40 Gy, followed by a full-cord block to 50 Gy, and (3) split-field IMRT with a full-cord block to 50 Gy. Patients were planned using each of these 3 techniques.more » To facilitate comparison, extended-field plans were normalized to deliver 50 Gy to 95% of the neck volume. Target coverage was assessed using the dose to 95% of the neck volume (D{sub 95}). Mean thyroid and larynx doses were computed. Extended-field IMRT was used as the reference arm; the mean larynx dose was 25.7 ± 7.4 Gy, and the mean thyroid dose was 28.6 ± 2.4 Gy. Split-field IMRT with 2-step blocking reduced laryngeal dose (mean larynx dose 15.2 ± 5.1 Gy) at the cost of a moderate reduction in target coverage (D{sub 95} 41.4 ± 14 Gy) and much higher thyroid dose (mean thyroid dose 44.7 ± 3.7 Gy). Split-field IMRT with initial full-cord block resulted in greater laryngeal sparing (mean larynx dose 14.2 ± 5.1 Gy) and only a moderately higher thyroid dose (mean thyroid dose 31 ± 8 Gy) but resulted in a significant reduction in target coverage (D{sub 95} 34.4 ± 15 Gy). Extended-field IMRT comprehensively covers the low neck and achieves acceptable thyroid and laryngeal sparing. Split-field IMRT with a full-cord block reduces laryngeal doses to less than 20 Gy and spares the thyroid, at the cost of substantially reduced coverage of the low neck. Traditional 2-step split-field IMRT similarly reduces the laryngeal dose but also reduces low-neck coverage and delivers very high doses to the thyroid.« less

Accurate indel prediction using paired-end short reads

PubMed Central

2013-01-01

Background One of the major open challenges in next generation sequencing (NGS) is the accurate identification of structural variants such as insertions and deletions (indels). Current methods for indel calling assign scores to different types of evidence or counter-evidence for the presence of an indel, such as the number of split read alignments spanning the boundaries of a deletion candidate or reads that map within a putative deletion. Candidates with a score above a manually defined threshold are then predicted to be true indels. As a consequence, structural variants detected in this manner contain many false positives. Results Here, we present a machine learning based method which is able to discover and distinguish true from false indel candidates in order to reduce the false positive rate. Our method identifies indel candidates using a discriminative classifier based on features of split read alignment profiles and trained on true and false indel candidates that were validated by Sanger sequencing. We demonstrate the usefulness of our method with paired-end Illumina reads from 80 genomes of the first phase of the 1001 Genomes Project ( http://www.1001genomes.org) in Arabidopsis thaliana. Conclusion In this work we show that indel classification is a necessary step to reduce the number of false positive candidates. We demonstrate that missing classification may lead to spurious biological interpretations. The software is available at: http://agkb.is.tuebingen.mpg.de/Forschung/SV-M/. PMID:23442375

Conformational study of 2-phenylethylamine by molecular-beam Fourier transform microwave spectroscopy.

PubMed

López, Juan C; Cortijo, Vanessa; Blanco, Susana; Alonso, Jose L

2007-08-28

The conformational preferences of the simplest amine neurotransmitter 2-phenylethylamine have been investigated using molecular beam Fourier transform microwave (MB-FTMW) spectroscopy. Two new conformers have been observed together with the two previously reported by Godfrey et al. [J. Am. Chem. Soc., 1995, 117, 8204]. The (14)N nuclear quadrupole hyperfine structure has been resolved for all four conformers. Comparison of the experimental rotational and quadrupole coupling constants with those calculated theoretically provides a conclusive test for the identification of all conformers. The two most stable conformers present a gauche (folded) disposition of the alkyl-amine chain and are stabilised by a weak NH...pi interaction between the amino group and the aromatic ring. The other two conformers show an anti (extended) arrangement of the alkyl-amine chain. Tunnelling splittings have been observed in the spectrum of one of the anti conformers. The post expansion relative abundances in the supersonic jet have been also investigated and related to the conformer energies.

Fourier transform microwave spectroscopy of Ac-Ser-NH2: the role of side chain interactions in peptide folding.

PubMed

Cabezas, Carlos; Robben, Martinus A T; Rijs, Anouk M; Peña, Isabel; Alonso, J L

2015-08-21

Serine capped dipeptide N-acetyl-l-serinamide (Ac-Ser-NH2) has been investigated using Fourier transform microwave spectroscopic techniques combined with laser ablation sources. Spectral signatures originating from one dominant species have been detected in the supersonic expansion. Rotational and nuclear quadrupole coupling constants of the two (14)N nuclei have been used in the characterization of a C/γ-turn structure, which is stabilized by a CO∙∙∙HN intramolecular hydrogen bond closing a seven-membered ring. Two extra hydrogen bonds involving the polar side chain (-CH2OH) further stabilize the structure. The non-observation of C5 species, attributed to the presence of the polar side chain, is in contrast with the previous gas phase observation of the related dipeptides containing glycine or alanine residues. The A-E splitting pattern arising from the internal rotation of the methyl group has been analyzed and the internal rotation barrier has been determined.

Constrained Total Generalized p-Variation Minimization for Few-View X-Ray Computed Tomography Image Reconstruction

PubMed Central

Zhang, Hanming; Wang, Linyuan; Yan, Bin; Li, Lei; Cai, Ailong; Hu, Guoen

2016-01-01

Total generalized variation (TGV)-based computed tomography (CT) image reconstruction, which utilizes high-order image derivatives, is superior to total variation-based methods in terms of the preservation of edge information and the suppression of unfavorable staircase effects. However, conventional TGV regularization employs l1-based form, which is not the most direct method for maximizing sparsity prior. In this study, we propose a total generalized p-variation (TGpV) regularization model to improve the sparsity exploitation of TGV and offer efficient solutions to few-view CT image reconstruction problems. To solve the nonconvex optimization problem of the TGpV minimization model, we then present an efficient iterative algorithm based on the alternating minimization of augmented Lagrangian function. All of the resulting subproblems decoupled by variable splitting admit explicit solutions by applying alternating minimization method and generalized p-shrinkage mapping. In addition, approximate solutions that can be easily performed and quickly calculated through fast Fourier transform are derived using the proximal point method to reduce the cost of inner subproblems. The accuracy and efficiency of the simulated and real data are qualitatively and quantitatively evaluated to validate the efficiency and feasibility of the proposed method. Overall, the proposed method exhibits reasonable performance and outperforms the original TGV-based method when applied to few-view problems. PMID:26901410

A Study of Flow Separation in Transonic Flow Using Inviscid and Viscous Computational Fluid Dynamics (CFD) Schemes

NASA Technical Reports Server (NTRS)

Rhodes, J. A.; Tiwari, S. N.; Vonlavante, E.

1988-01-01

A comparison of flow separation in transonic flows is made using various computational schemes which solve the Euler and the Navier-Stokes equations of fluid mechanics. The flows examined are computed using several simple two-dimensional configurations including a backward facing step and a bump in a channel. Comparison of the results obtained using shock fitting and flux vector splitting methods are presented and the results obtained using the Euler codes are compared to results on the same configurations using a code which solves the Navier-Stokes equations.

GTCBio's Precision Medicine Conference (July 7-8, 2016 - Boston, Massachusetts, USA).

PubMed

Cole, P

2016-09-01

GTCBio's Precision Medicine Conference met this year to outline the many steps forward that precision medicine and individualized genomics has made and the challenges it still faces in technological, modeling, and standards development, interoperability and compatibility advancements, and methods of economic and societal adoption. The conference was split into four sections, 'Overcoming Challenges in the Commercialization of Precision Medicine', 'Implementation of Precision Medicine: Strategies & Technologies', 'Integrating & Interpreting Personal Genomics, Big Data, & Bioinformatics' and 'Incentivizing Precision Medicine: Regulation & Reimbursement', with this report focusing on the final two subjects. Copyright 2016 Prous Science, S.A.U. or its licensors. All rights reserved.

Application of adaptive gridding to magnetohydrodynamic flows

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

Schnack, D.D.; Lotatti, I.; Satyanarayana, P.

1996-12-31

The numerical simulation of the primitive, three-dimensional, time-dependent, resistive MHD equations on an unstructured, adaptive poloidal mesh using the TRIM code has been reported previously. The toroidal coordinate is approximated pseudo-spectrally with finite Fourier series and Fast-Fourier Transforms. The finite-volume algorithm preserves the magnetic field as solenoidal to round-off error, and also conserves mass, energy, and magnetic flux exactly. A semi-implicit method is used to allow for large time steps on the unstructured mesh. This is important for tokamak calculations where the relevant time scale is determined by the poloidal Alfven time. This also allows the viscosity to be treatedmore » implicitly. A conjugate-gradient method with pre-conditioning is used for matrix inversion. Applications to the growth and saturation of ideal instabilities in several toroidal fusion systems has been demonstrated. Recently we have concentrated on the details of the mesh adaption algorithm used in TRIM. We present several two-dimensional results relating to the use of grid adaptivity to track the evolution of hydrodynamic and MHD structures. Examples of plasma guns, opening switches, and supersonic flow over a magnetized sphere are presented. Issues relating to mesh adaption criteria are discussed.« less

Lightning electromagnetic radiation field spectra in the interval from 0.2 to 20 MHz

NASA Technical Reports Server (NTRS)

Willett, J. C.; Bailey, J. C.; Leteinturier, C.; Krider, E. P.

1990-01-01

New Fourier transforms of wideband time-domain electric fields (E) produced by lightning (recorded at the Kennedy Space Center during the summers of 1985 and 1987) were recorded in such a way that several different events in each lightning flash could be captured. Average HF spectral amplitudes for first return strokes, stepped-leader steps, and 'characteristic pulses' are given for significantly more events, at closer ranges, and with better spectral resolution than in previous literature reports. The method of recording gives less bias toward the first large event in the flash and thus yields a large sample of a wide variety of lightning processes. As a result, reliable composite spectral amplitudes are obtained for a number of different processes in cloud-to-ground lightning over the frequency interval from 0.2 to 20 MHz.

Fabrication of controlled hierarchical wrinkle structures on polydimethylsiloxane via one-step C4F8 plasma treatment

NASA Astrophysics Data System (ADS)

Miao, Liming; Cheng, Xiaoliang; Chen, Haotian; Song, Yu; Guo, Hang; Zhang, Jinxin; Chen, Xuexian; Zhang, Haixia

2018-01-01

We report a simple method for fabricating two-dimensional and nested hierarchical wrinkle structures on polydimethylsiloxane surfaces via one-step C4F8 plasma treatment that innovatively combines two approaches to monolayer wrinkle structure fabrication. The wavelengths of the two dimensions of the wrinkle structures can be controlled by plasma treatment (radio frequency (RF) power and plasma treatment time) and stretching (stretching strain and axial stretching), respectively. We also analyze the different interactions between the two dimensions of wrinkle structures with different wavelengths and explain the phenomenon using Fourier waveform superposition. The character of the two dimensions and hierarchy is obvious when the wavelengths of the two wrinkles are different. In surface wetting tests, the hierarchical wrinkle shows great hydrophobicity and keeps the stretching property under 25%.

Implementation of the semiclassical quantum Fourier transform in a scalable system.

PubMed

Chiaverini, J; Britton, J; Leibfried, D; Knill, E; Barrett, M D; Blakestad, R B; Itano, W M; Jost, J D; Langer, C; Ozeri, R; Schaetz, T; Wineland, D J

2005-05-13

We report the implementation of the semiclassical quantum Fourier transform in a system of three beryllium ion qubits (two-level quantum systems) confined in a segmented multizone trap. The quantum Fourier transform is the crucial final step in Shor's algorithm, and it acts on a register of qubits to determine the periodicity of the quantum state's amplitudes. Because only probability amplitudes are required for this task, a more efficient semiclassical version can be used, for which only single-qubit operations conditioned on measurement outcomes are required. We apply the transform to several input states of different periodicities; the results enable the location of peaks corresponding to the original periods. This demonstration incorporates the key elements of a scalable ion-trap architecture, suggesting the future capability of applying the quantum Fourier transform to a large number of qubits as required for a useful quantum factoring algorithm.

Signal processing applications of massively parallel charge domain computing devices

NASA Technical Reports Server (NTRS)

Fijany, Amir (Inventor); Barhen, Jacob (Inventor); Toomarian, Nikzad (Inventor)

1999-01-01

The present invention is embodied in a charge coupled device (CCD)/charge injection device (CID) architecture capable of performing a Fourier transform by simultaneous matrix vector multiplication (MVM) operations in respective plural CCD/CID arrays in parallel in O(1) steps. For example, in one embodiment, a first CCD/CID array stores charge packets representing a first matrix operator based upon permutations of a Hartley transform and computes the Fourier transform of an incoming vector. A second CCD/CID array stores charge packets representing a second matrix operator based upon different permutations of a Hartley transform and computes the Fourier transform of an incoming vector. The incoming vector is applied to the inputs of the two CCD/CID arrays simultaneously, and the real and imaginary parts of the Fourier transform are produced simultaneously in the time required to perform a single MVM operation in a CCD/CID array.

A numerical method for systems of conservation laws of mixed type admitting hyperbolic flux splitting

NASA Technical Reports Server (NTRS)

Shu, Chi-Wang

1992-01-01

The present treatment of elliptic regions via hyperbolic flux-splitting and high order methods proposes a flux splitting in which the corresponding Jacobians have real and positive/negative eigenvalues. While resembling the flux splitting used in hyperbolic systems, the present generalization of such splitting to elliptic regions allows the handling of mixed-type systems in a unified and heuristically stable fashion. The van der Waals fluid-dynamics equation is used. Convergence with good resolution to weak solutions for various Riemann problems are observed.

A method for the measurement and the statistical analysis of atmospheric turbulence

NASA Technical Reports Server (NTRS)

Tieleman, H. W.; Tavoularis, S. C.

1974-01-01

The instantaneous values of output voltages representing the wind velocity vector and the temperature at different elevations of the 250-foot meteorological tower located at NASA Wallops Flight Center are provided with the three dimensional split-film TSI Model 1080 anemometer system. The output voltages are sampled at a rate of one every 5 milliseconds, digitized and stored on digital magnetic tapes for a time period of approximately 40 minutes, with the use of a specially designed data acqusition system. A new calibration procedure permits the conversion of the digital voltages to the respective values of the temperature and the velocity components in a Cartesian coordinate system connected with the TSI probe with considerable accuracy. Power, cross, coincidence and quadrature spectra of the wind components and the temperature are obtained with the use of the fast Fourier transform. The cosine taper data window and ensemble and frequency smoothing techniques are used to provide smooth estimates of the spectral functions.

Detection of faults in rotating machinery using periodic time-frequency sparsity

NASA Astrophysics Data System (ADS)

Ding, Yin; He, Wangpeng; Chen, Binqiang; Zi, Yanyang; Selesnick, Ivan W.

2016-11-01

This paper addresses the problem of extracting periodic oscillatory features in vibration signals for detecting faults in rotating machinery. To extract the feature, we propose an approach in the short-time Fourier transform (STFT) domain where the periodic oscillatory feature manifests itself as a relatively sparse grid. To estimate the sparse grid, we formulate an optimization problem using customized binary weights in the regularizer, where the weights are formulated to promote periodicity. In order to solve the proposed optimization problem, we develop an algorithm called augmented Lagrangian majorization-minimization algorithm, which combines the split augmented Lagrangian shrinkage algorithm (SALSA) with majorization-minimization (MM), and is guaranteed to converge for both convex and non-convex formulation. As examples, the proposed approach is applied to simulated data, and used as a tool for diagnosing faults in bearings and gearboxes for real data, and compared to some state-of-the-art methods. The results show that the proposed approach can effectively detect and extract the periodical oscillatory features.

Conical Fourier shell correlation applied to electron tomograms.

PubMed

Diebolder, C A; Faas, F G A; Koster, A J; Koning, R I

2015-05-01

The resolution of electron tomograms is anisotropic due to geometrical constraints during data collection, such as the limited tilt range and single axis tilt series acquisition. Acquisition of dual axis tilt series can decrease these effects. However, in cryo-electron tomography, to limit the electron radiation damage that occurs during imaging, the total dose should not increase and must be fractionated over the two tilt series. Here we set out to determine whether it is beneficial fractionate electron dose for recording dual axis cryo electron tilt series or whether it is better to perform single axis acquisition. To assess the quality of tomographic reconstructions in different directions here we introduce conical Fourier shell correlation (cFSCe/o). Employing cFSCe/o, we compared the resolution isotropy of single-axis and dual-axis (cryo-)electron tomograms using even/odd split data sets. We show that the resolution of dual-axis simulated and cryo-electron tomograms in the plane orthogonal to the electron beam becomes more isotropic compared to single-axis tomograms and high resolution peaks along the tilt axis disappear. cFSCe/o also allowed us to compare different methods for the alignment of dual-axis tomograms. We show that different tomographic reconstruction programs produce different anisotropic resolution in dual axis tomograms. We anticipate that cFSCe/o can also be useful for comparisons of acquisition and reconstruction parameters, and different hardware implementations. Copyright © 2015 Elsevier Inc. All rights reserved.

An identification method of orbit responses rooting in vibration analysis of rotor during touchdowns of active magnetic bearings

NASA Astrophysics Data System (ADS)

Liu, Tao; Lyu, Mindong; Wang, Zixi; Yan, Shaoze

2018-02-01

Identification of orbit responses can make the active protection operation more easily realize for active magnetic bearings (AMB) in case of touchdowns. This paper presents an identification method of the orbit responses rooting on signal processing of rotor displacements during touchdowns. The recognition method consists of two major steps. Firstly, the combined rub and bouncing is distinguished from the other orbit responses by the mathematical expectation of axis displacements of the rotor. Because when the combined rub and bouncing occurs, the rotor of AMB will not be always close to the touchdown bearings (TDB). Secondly, we recognize the pendulum vibration and the full rub by the Fourier spectrum of displacement in horizontal direction, as the frequency characteristics of the two responses are different. The principle of the whole identification algorithm is illustrated by two sets of signal generated by a dynamic model of the specific rotor-TDB system. The universality of the method is validated by other four sets of signal. Besides, the adaptability of noise is also tested by adding white noises with different strengths, and the result is promising. As the mathematical expectation and Discrete Fourier transform are major calculations of the algorithm, the calculation quantity of the algorithm is low, so it is fast, easily realized and embedded in the AMB controller, which has an important engineering value for the protection of AMBs during touchdowns.

MR Image Reconstruction Using Block Matching and Adaptive Kernel Methods.

PubMed

Schmidt, Johannes F M; Santelli, Claudio; Kozerke, Sebastian

2016-01-01

An approach to Magnetic Resonance (MR) image reconstruction from undersampled data is proposed. Undersampling artifacts are removed using an iterative thresholding algorithm applied to nonlinearly transformed image block arrays. Each block array is transformed using kernel principal component analysis where the contribution of each image block to the transform depends in a nonlinear fashion on the distance to other image blocks. Elimination of undersampling artifacts is achieved by conventional principal component analysis in the nonlinear transform domain, projection onto the main components and back-mapping into the image domain. Iterative image reconstruction is performed by interleaving the proposed undersampling artifact removal step and gradient updates enforcing consistency with acquired k-space data. The algorithm is evaluated using retrospectively undersampled MR cardiac cine data and compared to k-t SPARSE-SENSE, block matching with spatial Fourier filtering and k-t ℓ1-SPIRiT reconstruction. Evaluation of image quality and root-mean-squared-error (RMSE) reveal improved image reconstruction for up to 8-fold undersampled data with the proposed approach relative to k-t SPARSE-SENSE, block matching with spatial Fourier filtering and k-t ℓ1-SPIRiT. In conclusion, block matching and kernel methods can be used for effective removal of undersampling artifacts in MR image reconstruction and outperform methods using standard compressed sensing and ℓ1-regularized parallel imaging methods.

Hyperbolic heat conduction problems involving non-Fourier effects - Numerical simulations via explicit Lax-Wendroff/Taylor-Galerkin finite element formulations

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; Namburu, Raju R.

1989-01-01

Numerical simulations are presented for hyperbolic heat-conduction problems that involve non-Fourier effects, using explicit, Lax-Wendroff/Taylor-Galerkin FEM formulations as the principal computational tool. Also employed are smoothing techniques which stabilize the numerical noise and accurately predict the propagating thermal disturbances. The accurate capture of propagating thermal disturbances at characteristic time-step values is achieved; numerical test cases are presented which validate the proposed hyperbolic heat-conduction problem concepts.

Toward a General Approach for RNA-Templated Hierarchical Assembly of Split-Proteins

PubMed Central

Furman, Jennifer L.; Badran, Ahmed H.; Ajulo, Oluyomi; Porter, Jason R.; Stains, Cliff I.; Segal, David J.; Ghosh, Indraneel

2010-01-01

The ability to conditionally turn on a signal or induce a function in the presence of a user-defined RNA target has potential applications in medicine and synthetic biology. Although sequence-specific pumilio repeat proteins can target a limited set of ssRNA sequences, there are no general methods for targeting ssRNA with designed proteins. As a first step toward RNA recognition, we utilized the RNA binding domain of argonaute, implicated in RNA interference, for specifically targeting generic 2-nucleotide, 3' overhangs of any dsRNA. We tested the reassembly of a split-luciferase enzyme guided by argonaute-mediated recognition of newly generated nucleotide overhangs when ssRNA is targeted by a designed complementary guide sequence. This approach was successful when argonaute was utilized in conjunction with a pumilio repeat and expanded the scope of potential ssRNA targets. However, targeting any desired ssRNA remained elusive as two argonaute domains provided minimal reassembled split-luciferase. We next designed and tested a second hierarchical assembly, wherein ssDNA guides are appended to DNA hairpins that serve as a scaffold for high affinity zinc fingers attached to split-luciferase. In the presence of a ssRNA target containing adjacent sequences complementary to the guides, the hairpins are brought into proximity, allowing for zinc finger binding and concomitant reassembly of the fragmented luciferase. The scope of this new approach was validated by specifically targeting RNA encoding VEGF, hDM2, and HER2. These approaches provide potentially general design paradigms for the conditional reassembly of fragmented proteins in the presence of any desired ssRNA target. PMID:20681585

Germanium Nanowires-in-Graphite Tubes via Self-Catalyzed Synergetic Confined Growth and Shell-Splitting Enhanced Li-Storage Performance.

PubMed

Sun, Yong; Jin, Shuaixing; Yang, Guowei; Wang, Jing; Wang, Chengxin

2015-04-28

Despite the high theoretical capacity, pure Ge has various difficulties such as significant volume expansion and electron and Li(+) transfer problems, when applied as anode materials in lithium ion battery (LIB), for which the solution would finally rely on rational design like advanced structures and available hybrid. Here in this work, we report a one-step synthesis of Ge nanowires-in-graphite tubes (GNIGTs) with the liquid Ge/C synergetic confined growth method. The structure exhibits impressing LIB behavior in terms of both cyclic stability and rate performance. We found the semiclosed graphite shell with thickness of ∼50 layers experience an interesting splitting process that was driven by electrolyte diffusion, which occurs before the Ge-Li alloying plateau begins. Two types of different splitting mechanism addressed as "inside-out"/zipper effect and "outside-in" dominate this process, which are resulted from the SEI layer growing longitudinally along the Ge-graphite interface and the lateral diffusion of Li(+) across the shell, respectively. The former mechanism is the predominant way driving the initial shell to split, which behaves like a zipper with SEI layer as invisible puller. After repeated Li(+) insertion/exaction, the GNIGTs configuration is finally reconstructed by forming Ge nanowires-thin graphite strip hybrid, both of which are in close contact, resulting in enormous enchantment to the electrons/Li(+) transport. These features make the structures perform well as anode material in LIB. We believe both the progress in 1D assembly and the structure evolution of this Ge-C composite would contribute to the design of advanced LIB anode materials.

Measurement of fracture toughness by nanoindentation methods: Recent advances and future challenges

DOE PAGES

Sebastiani, Marco; Johanns, K. E.; Herbert, Erik G.; ...

2015-04-30

In this study, we describe recent advances and developments for the measurement of fracture toughness at small scales by the use of nanoindentation-based methods including techniques based on micro-cantilever beam bending and micro-pillar splitting. A critical comparison of the techniques is made by testing a selected group of bulk and thin film materials. For pillar splitting, cohesive zone finite element simulations are used to validate a simple relationship between the critical load at failure, the pillar radius, and the fracture toughness for a range of material properties and coating/substrate combinations. The minimum pillar diameter required for nucleation and growth ofmore » a crack during indentation is also estimated. An analysis of pillar splitting for a film on a dissimilar substrate material shows that the critical load for splitting is relatively insensitive to the substrate compliance for a large range of material properties. Experimental results from a selected group of materials show good agreement between single cantilever and pillar splitting methods, while a discrepancy of ~25% is found between the pillar splitting technique and double-cantilever testing. It is concluded that both the micro-cantilever and pillar splitting techniques are valuable methods for micro-scale assessment of fracture toughness of brittle ceramics, provided the underlying assumptions can be validated. Although the pillar splitting method has some advantages because of the simplicity of sample preparation and testing, it is not applicable to most metals because their higher toughness prevents splitting, and in this case, micro-cantilever bend testing is preferred.« less

Imaging nanobubble nucleation and hydrogen spillover during electrocatalytic water splitting.

PubMed

Hao, Rui; Fan, Yunshan; Howard, Marco D; Vaughan, Joshua C; Zhang, Bo

2018-06-05

Nucleation and growth of hydrogen nanobubbles are key initial steps in electrochemical water splitting. These processes remain largely unexplored due to a lack of proper tools to probe the nanobubble's interfacial structure with sufficient spatial and temporal resolution. We report the use of superresolution microscopy to image transient formation and growth of single hydrogen nanobubbles at the electrode/solution interface during electrocatalytic water splitting. We found hydrogen nanobubbles can be generated even at very early stages in water electrolysis, i.e., ∼500 mV before reaching its thermodynamic reduction potential. The ability to image single nanobubbles on an electrode enabled us to observe in real time the process of hydrogen spillover from ultrathin gold nanocatalysts supported on indium-tin oxide.

Suppression of quantum phase interference in the molecular magnet Fe8 with dipolar-dipolar interaction

NASA Astrophysics Data System (ADS)

Chen, Zhi-De; Liang, J.-Q.; Shen, Shun-Qing

2002-09-01

Renormalized tunnel splitting with a finite distribution in the biaxial spin model for molecular magnets is obtained by taking into account the dipolar interaction of enviromental spins. Oscillation of the resonant tunnel splitting with a transverse magnetic field along the hard axis is smeared by the finite distribution, which subsequently affects the quantum steps of the hysteresis curve evaluated in terms of the modified Landau-Zener model of spin flipping induced by the sweeping field. We conclude that the dipolar-dipolar interaction drives decoherence of quantum tunneling in the molecular magnet Fe8, which explains why the quenching points of tunnel splitting between odd and even resonant tunneling predicted theoretically were not observed experimentally.

Decorating CoP and Pt Nanoparticles on Graphitic Carbon Nitride Nanosheets to Promote Overall Water Splitting by Conjugated Polymers.

PubMed

Pan, Zhiming; Zheng, Yun; Guo, Fangsong; Niu, Pingping; Wang, Xinchen

2017-01-10

The splitting of water into H 2 and O 2 using solar energy is one of the key steps in artificial photosynthesis for the future production of renewable energy. Here, we show the first use of CoP and Pt nanoparticles as dual co-catalysts to modify graphitic carbon nitride (g-C 3 N 4 ) polymer to achieve overall water splitting under visible light irradiation. Our findings demonstrate that loading dual co-catalysts on delaminated g-C 3 N 4 imparts surface redox sites on the g-C 3 N 4 nanosheets that can not only promote catalytic kinetics but also promote charge separation and migration in the soft interface, thus improving the photocatalytic efficiency for overall water splitting. This robust, abundant, and stable photocatalyst based on covalent organic frameworks is demonstrated to hold great promise by forming heterojunctions with CoP and Pt for catalyzing the direct splitting of water into stoichiometric H 2 and O 2 using energy from photons. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A hybrid water-splitting cycle using copper sulfate and mixed copper oxides

NASA Technical Reports Server (NTRS)

Schreiber, J. D.; Remick, R. J.; Foh, S. E.; Mazumder, M. M.

1980-01-01

The Institute of Gas Technology has derived and developed a hybrid thermochemical water-splitting cycle based on mixed copper oxides and copper sulfate. Similar to other metal oxide-metal sulfate cycles that use a metal oxide to 'concentrate' electrolytically produced sulfuric acid, this cycle offers the advantage of producing oxygen (to be vented) and sulfur dioxide (to be recycled) in separate steps, thereby eliminating the need of another step to separate these gases. The conceptual process flow-sheet efficiency of the cycle promises to exceed 50%. It has been completely demonstrated in the laboratory with recycled materials. Research in the electrochemical oxidation of sulfur dioxide to produce sulfuric acid and hydrogen performed at IGT indicates that the cell performance goals of 200 mA/sq cm at 0.5 V will be attainable using relatively inexpensive electrode materials.

26 CFR 1.936-7 - Manner of making election under section 936 (h)(5); special election for export sales; revocation...

Code of Federal Regulations, 2010 CFR

2010-04-01

... election to use the cost sharing method or profit split method? A. 1: A possessions corporation makes an election to use the cost sharing or profit split method by filing Form 5712-A (“Election and Verification of the Cost Sharing or Profit Split Method Under Section 936(h)(5)”) and attaching it to its tax...

Self-aligned quadruple patterning using spacer on spacer integration optimization for N5

NASA Astrophysics Data System (ADS)

Thibaut, Sophie; Raley, Angélique; Mohanty, Nihar; Kal, Subhadeep; Liu, Eric; Ko, Akiteru; O'Meara, David; Tapily, Kandabara; Biolsi, Peter

2017-04-01

To meet scaling requirements, the semiconductor industry has extended 193nm immersion lithography beyond its minimum pitch limitation using multiple patterning schemes such as self-aligned double patterning, self-aligned quadruple patterning and litho-etch / litho etch iterations. Those techniques have been declined in numerous options in the last few years. Spacer on spacer pitch splitting integration has been proven to show multiple advantages compared to conventional pitch splitting approach. Reducing the number of pattern transfer steps associated with sacrificial layers resulted in significant decrease of cost and an overall simplification of the double pitch split technique. While demonstrating attractive aspects, SAQP spacer on spacer flow brings challenges of its own. Namely, material set selections and etch chemistry development for adequate selectivities, mandrel shape and spacer shape engineering to improve edge placement error (EPE). In this paper we follow up and extend upon our previous learning and proceed into more details on the robustness of the integration in regards to final pattern transfer and full wafer critical dimension uniformity. Furthermore, since the number of intermediate steps is reduced, one will expect improved uniformity and pitch walking control. This assertion will be verified through a thorough pitch walking analysis.

Fracture-resistant monolithic dental crowns.

PubMed

Zhang, Yu; Mai, Zhisong; Barani, Amir; Bush, Mark; Lawn, Brian

2016-03-01

To quantify the splitting resistance of monolithic zirconia, lithium disilicate and nanoparticle-composite dental crowns. Fracture experiments were conducted on anatomically-correct monolithic crown structures cemented to standard dental composite dies, by axial loading of a hard sphere placed between the cusps. The structures were observed in situ during fracture testing, and critical loads to split the structures were measured. Extended finite element modeling (XFEM), with provision for step-by-step extension of embedded cracks, was employed to simulate full failure evolution. Experimental measurements and XFEM predictions were self-consistent within data scatter. In conjunction with a fracture mechanics equation for critical splitting load, the data were used to predict load-sustaining capacity for crowns on actual dentin substrates and for loading with a sphere of different size. Stages of crack propagation within the crown and support substrate were quantified. Zirconia crowns showed the highest fracture loads, lithium disilicate intermediate, and dental nanocomposite lowest. Dental nanocomposite crowns have comparable fracture resistance to natural enamel. The results confirm that monolithic crowns are able to sustain high bite forces. The analysis indicates what material and geometrical properties are important in optimizing crown performance and longevity. Copyright © 2015 Academy of Dental Materials. All rights reserved.

Accurate orbit propagation in the presence of planetary close encounters

NASA Astrophysics Data System (ADS)

Amato, Davide; Baù, Giulio; Bombardelli, Claudio

2017-09-01

We present an efficient strategy for the numerical propagation of small Solar system objects undergoing close encounters with massive bodies. The trajectory is split into several phases, each of them being the solution of a perturbed two-body problem. Formulations regularized with respect to different primaries are employed in two subsequent phases. In particular, we consider the Kustaanheimo-Stiefel regularization and a novel set of non-singular orbital elements pertaining to the Dromo family. In order to test the proposed strategy, we perform ensemble propagations in the Earth-Sun Circular Restricted 3-Body Problem (CR3BP) using a variable step size and order multistep integrator and an improved version of Everhart's radau solver of 15th order. By combining the trajectory splitting with regularized equations of motion in short-term propagations (1 year), we gain up to six orders of magnitude in accuracy with respect to the classical Cowell's method for the same computational cost. Moreover, in the propagation of asteroid (99942) Apophis through its 2029 Earth encounter, the position error stays within 100 metres after 100 years. In general, as to improve the performance of regularized formulations, the trajectory must be split between 1.2 and 3 Hill radii from the Earth. We also devise a robust iterative algorithm to stop the integration of regularized equations of motion at a prescribed physical time. The results rigorously hold in the CR3BP, and similar considerations may apply when considering more complex models. The methods and algorithms are implemented in the naples fortran 2003 code, which is available online as a GitHub repository.

Water-soluble loratadine inclusion complex: analytical control of the preparation by microwave irradiation.

PubMed

Nacsa, A; Ambrus, R; Berkesi, O; Szabó-Révész, P; Aigner, Z

2008-11-04

The majority of active pharmaceutical ingredients are poorly soluble in water. The rate-determining step of absorption is the dissolution of these drugs. Inclusion complexation with cyclodextrin derivatives can lead to improved aqueous solubility and bioavailability of pharmacons due to the formation of co-crystals through hydrogen-bonding between the components. Inclusion complexes of loratadine were prepared by a convenient new method involving microwave irradiation and the products were compared with those of a conventional preparation method. Dissolution studies demonstrated that the solubility and rate of dissolution of loratadine increased in both of the methods used. The interactions between the components were investigated by thermal analysis and Fourier Transform Infrared studies. The microwave treatment did not cause any chemical changes in the loratadine molecule.

Missing texture reconstruction method based on error reduction algorithm using Fourier transform magnitude estimation scheme.

PubMed

Ogawa, Takahiro; Haseyama, Miki

2013-03-01

A missing texture reconstruction method based on an error reduction (ER) algorithm, including a novel estimation scheme of Fourier transform magnitudes is presented in this brief. In our method, Fourier transform magnitude is estimated for a target patch including missing areas, and the missing intensities are estimated by retrieving its phase based on the ER algorithm. Specifically, by monitoring errors converged in the ER algorithm, known patches whose Fourier transform magnitudes are similar to that of the target patch are selected from the target image. In the second approach, the Fourier transform magnitude of the target patch is estimated from those of the selected known patches and their corresponding errors. Consequently, by using the ER algorithm, we can estimate both the Fourier transform magnitudes and phases to reconstruct the missing areas.

New approach to canonical partition functions computation in Nf=2 lattice QCD at finite baryon density

NASA Astrophysics Data System (ADS)

Bornyakov, V. G.; Boyda, D. L.; Goy, V. A.; Molochkov, A. V.; Nakamura, Atsushi; Nikolaev, A. A.; Zakharov, V. I.

2017-05-01

We propose and test a new approach to computation of canonical partition functions in lattice QCD at finite density. We suggest a few steps procedure. We first compute numerically the quark number density for imaginary chemical potential i μq I . Then we restore the grand canonical partition function for imaginary chemical potential using the fitting procedure for the quark number density. Finally we compute the canonical partition functions using high precision numerical Fourier transformation. Additionally we compute the canonical partition functions using the known method of the hopping parameter expansion and compare results obtained by two methods in the deconfining as well as in the confining phases. The agreement between two methods indicates the validity of the new method. Our numerical results are obtained in two flavor lattice QCD with clover improved Wilson fermions.

Automated cloud screening of AVHRR imagery using split-and-merge clustering

NASA Technical Reports Server (NTRS)

Gallaudet, Timothy C.; Simpson, James J.

1991-01-01

Previous methods to segment clouds from ocean in AVHRR imagery have shown varying degrees of success, with nighttime approaches being the most limited. An improved method of automatic image segmentation, the principal component transformation split-and-merge clustering (PCTSMC) algorithm, is presented and applied to cloud screening of both nighttime and daytime AVHRR data. The method combines spectral differencing, the principal component transformation, and split-and-merge clustering to sample objectively the natural classes in the data. This segmentation method is then augmented by supervised classification techniques to screen clouds from the imagery. Comparisons with other nighttime methods demonstrate its improved capability in this application. The sensitivity of the method to clustering parameters is presented; the results show that the method is insensitive to the split-and-merge thresholds.

Split-belt walking adaptation recalibrates sensorimotor estimates of leg speed but not position or force

PubMed Central

Vazquez, Alejandro; Statton, Matthew A.; Busgang, Stefanie A.

2015-01-01

Motor learning during reaching not only recalibrates movement but can also lead to small but consistent changes in the sense of arm position. Studies have suggested that this sensory effect may be the result of recalibration of a forward model that associates motor commands with their sensory consequences. Here we investigated whether similar perceptual changes occur in the lower limbs after learning a new walking pattern on a split-belt treadmill—a task that critically involves proprioception. Specifically, we studied how this motor learning task affects perception of leg speed during walking, perception of leg position during standing or walking, and perception of contact force during stepping. Our results show that split-belt adaptation leads to robust motor aftereffects and alters the perception of leg speed during walking. This is specific to the direction of walking that was trained during adaptation (i.e., backward or forward). The change in leg speed perception accounts for roughly half of the observed motor aftereffect. In contrast, split-belt adaptation does not alter the perception of leg position during standing or walking and does not change the perception of stepping force. Our results demonstrate that there is a recalibration of a sensory percept specific to the domain of the perturbation that was applied during walking (i.e., speed but not position or force). Furthermore, the motor and sensory consequences of locomotor adaptation may be linked, suggesting overlapping mechanisms driving changes in the motor and sensory domains. PMID:26424576

An empirical method to cluster objective nebulizer adherence data among adults with cystic fibrosis.

PubMed

Hoo, Zhe H; Campbell, Michael J; Curley, Rachael; Wildman, Martin J

2017-01-01

The purpose of using preventative inhaled treatments in cystic fibrosis is to improve health outcomes. Therefore, understanding the relationship between adherence to treatment and health outcome is crucial. Temporal variability, as well as absolute magnitude of adherence affects health outcomes, and there is likely to be a threshold effect in the relationship between adherence and outcomes. We therefore propose a pragmatic algorithm-based clustering method of objective nebulizer adherence data to better understand this relationship, and potentially, to guide clinical decisions. This clustering method consists of three related steps. The first step is to split adherence data for the previous 12 months into four 3-monthly sections. The second step is to calculate mean adherence for each section and to score the section based on mean adherence. The third step is to aggregate the individual scores to determine the final cluster ("cluster 1" = very low adherence; "cluster 2" = low adherence; "cluster 3" = moderate adherence; "cluster 4" = high adherence), and taking into account adherence trend as represented by sequential individual scores. The individual scores should be displayed along with the final cluster for clinicians to fully understand the adherence data. We present three cases to illustrate the use of the proposed clustering method. This pragmatic clustering method can deal with adherence data of variable duration (ie, can be used even if 12 months' worth of data are unavailable) and can cluster adherence data in real time. Empirical support for some of the clustering parameters is not yet available, but the suggested classifications provide a structure to investigate parameters in future prospective datasets in which there are accurate measurements of nebulizer adherence and health outcomes.

Optimal energy-splitting method for an open-loop liquid crystal adaptive optics system.

PubMed

Cao, Zhaoliang; Mu, Quanquan; Hu, Lifa; Liu, Yonggang; Peng, Zenghui; Yang, Qingyun; Meng, Haoran; Yao, Lishuang; Xuan, Li

2012-08-13

A waveband-splitting method is proposed for open-loop liquid crystal adaptive optics systems (LC AOSs). The proposed method extends the working waveband, splits energy flexibly, and improves detection capability. Simulated analysis is performed for a waveband in the range of 350 nm to 950 nm. The results show that the optimal energy split is 7:3 for the wavefront sensor (WFS) and for the imaging camera with the waveband split into 350 nm to 700 nm and 700 nm to 950 nm, respectively. A validation experiment is conducted by measuring the signal-to-noise ratio (SNR) of the WFS and the imaging camera. The results indicate that for the waveband-splitting method, the SNR of WFS is approximately equal to that of the imaging camera with a variation in the intensity. On the other hand, the SNR of the WFS is significantly different from that of the imaging camera for the polarized beam splitter energy splitting scheme. Therefore, the waveband-splitting method is more suitable for an open-loop LC AOS. An adaptive correction experiment is also performed on a 1.2-meter telescope. A star with a visual magnitude of 4.45 is observed and corrected and an angular resolution ability of 0.31″ is achieved. A double star with a combined visual magnitude of 4.3 is observed as well, and its two components are resolved after correction. The results indicate that the proposed method can significantly improve the detection capability of an open-loop LC AOS.

Computing Fourier integral operators with caustics

NASA Astrophysics Data System (ADS)

Caday, Peter

2016-12-01

Fourier integral operators (FIOs) have widespread applications in imaging, inverse problems, and PDEs. An implementation of a generic algorithm for computing FIOs associated with canonical graphs is presented, based on a recent paper of de Hoop et al. Given the canonical transformation and principal symbol of the operator, a preprocessing step reduces application of an FIO approximately to multiplications, pushforwards and forward and inverse discrete Fourier transforms, which can be computed in O({N}n+(n-1)/2{log}N) time for an n-dimensional FIO. The same preprocessed data also allows computation of the inverse and transpose of the FIO, with identical runtime. Examples demonstrate the algorithm’s output, and easily extendible MATLAB/C++ source code is available from the author.

Rapid habitability assessment of Mars samples by pyrolysis-FTIR

NASA Astrophysics Data System (ADS)

Gordon, Peter R.; Sephton, Mark A.

2016-02-01

Pyrolysis Fourier transform infrared spectroscopy (pyrolysis FTIR) is a potential sample selection method for Mars Sample Return missions. FTIR spectroscopy can be performed on solid and liquid samples but also on gases following preliminary thermal extraction, pyrolysis or gasification steps. The detection of hydrocarbon and non-hydrocarbon gases can reveal information on sample mineralogy and past habitability of the environment in which the sample was created. The absorption of IR radiation at specific wavenumbers by organic functional groups can indicate the presence and type of any organic matter present. Here we assess the utility of pyrolysis-FTIR to release water, carbon dioxide, sulfur dioxide and organic matter from Mars relevant materials to enable a rapid habitability assessment of target rocks for sample return. For our assessment a range of minerals were analyzed by attenuated total reflectance FTIR. Subsequently, the mineral samples were subjected to single step pyrolysis and multi step pyrolysis and the products characterised by gas phase FTIR. Data from both single step and multi step pyrolysis-FTIR provide the ability to identify minerals that reflect habitable environments through their water and carbon dioxide responses. Multi step pyrolysis-FTIR can be used to gain more detailed information on the sources of the liberated water and carbon dioxide owing to the characteristic decomposition temperatures of different mineral phases. Habitation can be suggested when pyrolysis-FTIR indicates the presence of organic matter within the sample. Pyrolysis-FTIR, therefore, represents an effective method to assess whether Mars Sample Return target rocks represent habitable conditions and potential records of habitation and can play an important role in sample triage operations.

Research on fast Fourier transforms algorithm of huge remote sensing image technology with GPU and partitioning technology.

PubMed

Yang, Xue; Li, Xue-You; Li, Jia-Guo; Ma, Jun; Zhang, Li; Yang, Jan; Du, Quan-Ye

2014-02-01

Fast Fourier transforms (FFT) is a basic approach to remote sensing image processing. With the improvement of capacity of remote sensing image capture with the features of hyperspectrum, high spatial resolution and high temporal resolution, how to use FFT technology to efficiently process huge remote sensing image becomes the critical step and research hot spot of current image processing technology. FFT algorithm, one of the basic algorithms of image processing, can be used for stripe noise removal, image compression, image registration, etc. in processing remote sensing image. CUFFT function library is the FFT algorithm library based on CPU and FFTW. FFTW is a FFT algorithm developed based on CPU in PC platform, and is currently the fastest CPU based FFT algorithm function library. However there is a common problem that once the available memory or memory is less than the capacity of image, there will be out of memory or memory overflow when using the above two methods to realize image FFT arithmetic. To address this problem, a CPU and partitioning technology based Huge Remote Fast Fourier Transform (HRFFT) algorithm is proposed in this paper. By improving the FFT algorithm in CUFFT function library, the problem of out of memory and memory overflow is solved. Moreover, this method is proved rational by experiment combined with the CCD image of HJ-1A satellite. When applied to practical image processing, it improves effect of the image processing, speeds up the processing, which saves the time of computation and achieves sound result.

A modified Dodge algorithm for the parabolized Navier-Stokes equation and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.

1981-01-01

A revised version of Dodge's split-velocity method for numerical calculation of compressible duct flow was developed. The revision incorporates balancing of mass flow rates on each marching step in order to maintain front-to-back continuity during the calculation. The (checkerboard) zebra algorithm is applied to solution of the three dimensional continuity equation in conservative form. A second-order A-stable linear multistep method is employed in effecting a marching solution of the parabolized momentum equations. A checkerboard iteration is used to solve the resulting implicit nonlinear systems of finite-difference equations which govern stepwise transition. Qualitive agreement with analytical predictions and experimental results was obtained for some flows with well-known solutions.

GY SAMPLING THEORY IN ENVIRONMENTAL STUDIES 1: ASSESSING SOIL SPLITTING PROTOCOLS

EPA Science Inventory

Five soil sample splitting methods (riffle splitting, paper cone riffle splitting, fractional shoveling, coning and quartering, and grab sampling) were evaluated with synthetic samples to verify Pierre Gy sampling theory expectations. Individually prepared samples consisting of l...

Application of particle splitting method for both hydrostatic and hydrodynamic cases in SPH

NASA Astrophysics Data System (ADS)

Liu, W. T.; Sun, P. N.; Ming, F. R.; Zhang, A. M.

2018-01-01

Smoothed particle hydrodynamics (SPH) method with numerical diffusive terms shows satisfactory stability and accuracy in some violent fluid-solid interaction problems. However, in most simulations, uniform particle distributions are used and the multi-resolution, which can obviously improve the local accuracy and the overall computational efficiency, has seldom been applied. In this paper, a dynamic particle splitting method is applied and it allows for the simulation of both hydrostatic and hydrodynamic problems. The splitting algorithm is that, when a coarse (mother) particle enters the splitting region, it will be split into four daughter particles, which inherit the physical parameters of the mother particle. In the particle splitting process, conservations of mass, momentum and energy are ensured. Based on the error analysis, the splitting technique is designed to allow the optimal accuracy at the interface between the coarse and refined particles and this is particularly important in the simulation of hydrostatic cases. Finally, the scheme is validated by five basic cases, which demonstrate that the present SPH model with a particle splitting technique is of high accuracy and efficiency and is capable for the simulation of a wide range of hydrodynamic problems.

The Fourier decomposition method for nonlinear and non-stationary time series analysis.

PubMed

Singh, Pushpendra; Joshi, Shiv Dutt; Patney, Rakesh Kumar; Saha, Kaushik

2017-03-01

for many decades, there has been a general perception in the literature that Fourier methods are not suitable for the analysis of nonlinear and non-stationary data. In this paper, we propose a novel and adaptive Fourier decomposition method (FDM), based on the Fourier theory, and demonstrate its efficacy for the analysis of nonlinear and non-stationary time series. The proposed FDM decomposes any data into a small number of 'Fourier intrinsic band functions' (FIBFs). The FDM presents a generalized Fourier expansion with variable amplitudes and variable frequencies of a time series by the Fourier method itself. We propose an idea of zero-phase filter bank-based multivariate FDM (MFDM), for the analysis of multivariate nonlinear and non-stationary time series, using the FDM. We also present an algorithm to obtain cut-off frequencies for MFDM. The proposed MFDM generates a finite number of band-limited multivariate FIBFs (MFIBFs). The MFDM preserves some intrinsic physical properties of the multivariate data, such as scale alignment, trend and instantaneous frequency. The proposed methods provide a time-frequency-energy (TFE) distribution that reveals the intrinsic structure of a data. Numerical computations and simulations have been carried out and comparison is made with the empirical mode decomposition algorithms.

The Fourier decomposition method for nonlinear and non-stationary time series analysis

PubMed Central

Joshi, Shiv Dutt; Patney, Rakesh Kumar; Saha, Kaushik

2017-01-01

for many decades, there has been a general perception in the literature that Fourier methods are not suitable for the analysis of nonlinear and non-stationary data. In this paper, we propose a novel and adaptive Fourier decomposition method (FDM), based on the Fourier theory, and demonstrate its efficacy for the analysis of nonlinear and non-stationary time series. The proposed FDM decomposes any data into a small number of ‘Fourier intrinsic band functions’ (FIBFs). The FDM presents a generalized Fourier expansion with variable amplitudes and variable frequencies of a time series by the Fourier method itself. We propose an idea of zero-phase filter bank-based multivariate FDM (MFDM), for the analysis of multivariate nonlinear and non-stationary time series, using the FDM. We also present an algorithm to obtain cut-off frequencies for MFDM. The proposed MFDM generates a finite number of band-limited multivariate FIBFs (MFIBFs). The MFDM preserves some intrinsic physical properties of the multivariate data, such as scale alignment, trend and instantaneous frequency. The proposed methods provide a time–frequency–energy (TFE) distribution that reveals the intrinsic structure of a data. Numerical computations and simulations have been carried out and comparison is made with the empirical mode decomposition algorithms. PMID:28413352

Robust and transferable quantification of NMR spectral quality using IROC analysis

NASA Astrophysics Data System (ADS)

Zambrello, Matthew A.; Maciejewski, Mark W.; Schuyler, Adam D.; Weatherby, Gerard; Hoch, Jeffrey C.

2017-12-01

Non-Fourier methods are increasingly utilized in NMR spectroscopy because of their ability to handle nonuniformly-sampled data. However, non-Fourier methods present unique challenges due to their nonlinearity, which can produce nonrandom noise and render conventional metrics for spectral quality such as signal-to-noise ratio unreliable. The lack of robust and transferable metrics (i.e. applicable to methods exhibiting different nonlinearities) has hampered comparison of non-Fourier methods and nonuniform sampling schemes, preventing the identification of best practices. We describe a novel method, in situ receiver operating characteristic analysis (IROC), for characterizing spectral quality based on the Receiver Operating Characteristic curve. IROC utilizes synthetic signals added to empirical data as "ground truth", and provides several robust scalar-valued metrics for spectral quality. This approach avoids problems posed by nonlinear spectral estimates, and provides a versatile quantitative means of characterizing many aspects of spectral quality. We demonstrate applications to parameter optimization in Fourier and non-Fourier spectral estimation, critical comparison of different methods for spectrum analysis, and optimization of nonuniform sampling schemes. The approach will accelerate the discovery of optimal approaches to nonuniform sampling experiment design and non-Fourier spectrum analysis for multidimensional NMR.

49 CFR 40.185 - Through what methods and to whom must a laboratory report split specimen results?

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 1 2011-10-01 2011-10-01 false Through what methods and to whom must a laboratory report split specimen results? 40.185 Section 40.185 Transportation Office of the Secretary of Transportation PROCEDURES FOR TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Split Specimen Tests § 40.185 Through what methods and to whom...

Automated Bayesian model development for frequency detection in biological time series.

PubMed

Granqvist, Emma; Oldroyd, Giles E D; Morris, Richard J

2011-06-24

A first step in building a mathematical model of a biological system is often the analysis of the temporal behaviour of key quantities. Mathematical relationships between the time and frequency domain, such as Fourier Transforms and wavelets, are commonly used to extract information about the underlying signal from a given time series. This one-to-one mapping from time points to frequencies inherently assumes that both domains contain the complete knowledge of the system. However, for truncated, noisy time series with background trends this unique mapping breaks down and the question reduces to an inference problem of identifying the most probable frequencies. In this paper we build on the method of Bayesian Spectrum Analysis and demonstrate its advantages over conventional methods by applying it to a number of test cases, including two types of biological time series. Firstly, oscillations of calcium in plant root cells in response to microbial symbionts are non-stationary and noisy, posing challenges to data analysis. Secondly, circadian rhythms in gene expression measured over only two cycles highlights the problem of time series with limited length. The results show that the Bayesian frequency detection approach can provide useful results in specific areas where Fourier analysis can be uninformative or misleading. We demonstrate further benefits of the Bayesian approach for time series analysis, such as direct comparison of different hypotheses, inherent estimation of noise levels and parameter precision, and a flexible framework for modelling the data without pre-processing. Modelling in systems biology often builds on the study of time-dependent phenomena. Fourier Transforms are a convenient tool for analysing the frequency domain of time series. However, there are well-known limitations of this method, such as the introduction of spurious frequencies when handling short and noisy time series, and the requirement for uniformly sampled data. Biological time series often deviate significantly from the requirements of optimality for Fourier transformation. In this paper we present an alternative approach based on Bayesian inference. We show the value of placing spectral analysis in the framework of Bayesian inference and demonstrate how model comparison can automate this procedure.

Automated Bayesian model development for frequency detection in biological time series

PubMed Central

2011-01-01

Background A first step in building a mathematical model of a biological system is often the analysis of the temporal behaviour of key quantities. Mathematical relationships between the time and frequency domain, such as Fourier Transforms and wavelets, are commonly used to extract information about the underlying signal from a given time series. This one-to-one mapping from time points to frequencies inherently assumes that both domains contain the complete knowledge of the system. However, for truncated, noisy time series with background trends this unique mapping breaks down and the question reduces to an inference problem of identifying the most probable frequencies. Results In this paper we build on the method of Bayesian Spectrum Analysis and demonstrate its advantages over conventional methods by applying it to a number of test cases, including two types of biological time series. Firstly, oscillations of calcium in plant root cells in response to microbial symbionts are non-stationary and noisy, posing challenges to data analysis. Secondly, circadian rhythms in gene expression measured over only two cycles highlights the problem of time series with limited length. The results show that the Bayesian frequency detection approach can provide useful results in specific areas where Fourier analysis can be uninformative or misleading. We demonstrate further benefits of the Bayesian approach for time series analysis, such as direct comparison of different hypotheses, inherent estimation of noise levels and parameter precision, and a flexible framework for modelling the data without pre-processing. Conclusions Modelling in systems biology often builds on the study of time-dependent phenomena. Fourier Transforms are a convenient tool for analysing the frequency domain of time series. However, there are well-known limitations of this method, such as the introduction of spurious frequencies when handling short and noisy time series, and the requirement for uniformly sampled data. Biological time series often deviate significantly from the requirements of optimality for Fourier transformation. In this paper we present an alternative approach based on Bayesian inference. We show the value of placing spectral analysis in the framework of Bayesian inference and demonstrate how model comparison can automate this procedure. PMID:21702910

Explicit methods in extended phase space for inseparable Hamiltonian problems

NASA Astrophysics Data System (ADS)

Pihajoki, Pauli

2015-03-01

We present a method for explicit leapfrog integration of inseparable Hamiltonian systems by means of an extended phase space. A suitably defined new Hamiltonian on the extended phase space leads to equations of motion that can be numerically integrated by standard symplectic leapfrog (splitting) methods. When the leapfrog is combined with coordinate mixing transformations, the resulting algorithm shows good long term stability and error behaviour. We extend the method to non-Hamiltonian problems as well, and investigate optimal methods of projecting the extended phase space back to original dimension. Finally, we apply the methods to a Hamiltonian problem of geodesics in a curved space, and a non-Hamiltonian problem of a forced non-linear oscillator. We compare the performance of the methods to a general purpose differential equation solver LSODE, and the implicit midpoint method, a symplectic one-step method. We find the extended phase space methods to compare favorably to both for the Hamiltonian problem, and to the implicit midpoint method in the case of the non-linear oscillator.

Algorithms for image recovery calculation in extended single-shot phase-shifting digital holography

NASA Astrophysics Data System (ADS)

Hasegawa, Shin-ya; Hirata, Ryo

2018-04-01

The single-shot phase-shifting method of image recovery using an inclined reference wave has the advantages of reducing the effects of vibration, being capable of operating in real time, and affording low-cost sensing. In this method, relatively low reference angles compared with that in the conventional method using phase shift between three or four pixels has been required. We propose an extended single-shot phase-shifting technique which uses the multiple-step phase-shifting algorithm and the corresponding multiple pixels which are the same as that of the period of an interference fringe. We have verified the theory underlying this recovery method by means of Fourier spectral analysis and its effectiveness by evaluating the visibility of the image using a high-resolution pattern. Finally, we have demonstrated high-contrast image recovery experimentally using a resolution chart. This method can be used in a variety of applications such as color holographic interferometry.

Computer modeling of in terferograms of flowing plasma and determination of the phase shift

NASA Astrophysics Data System (ADS)

Blažek, J.; Kříž, P.; Stach, V.

2000-03-01

Interferograms of the flowing gas contain information about the phase shift between the object and the reference beams. The determination of the phase shift is the first step in getting information about the inner distribution of the density in cylindrically symmetric discharges. Slightly modified Takeda method based on the Fourier transformation is applied to determine the phase information from the interferogram. The least squares spline approximation is used for approximation and smoothing intensity profiles. At the same time, cubic splines with their end-knots conditions naturally realize “hanning windows” eliminating unwanted edge effects. For the purpose of numerical testing of the method, we developed a code that for a density given in advance reconstructs the corresponding interferogram.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

NASA Astrophysics Data System (ADS)

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-01

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

PubMed

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-21

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

UNEXPECTED SERIES OF REGULAR FREQUENCY SPACING OF δ SCUTI STARS IN THE NON-ASYMPTOTIC REGIME. I. THE METHODOLOGY

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

Paparó, M.; Benkő, J. M.; Hareter, M.

A sequence search method was developed to search the regular frequency spacing in δ Scuti stars through visual inspection and an algorithmic search. We searched for sequences of quasi-equally spaced frequencies, containing at least four members per sequence, in 90 δ Scuti stars observed by CoRoT . We found an unexpectedly large number of independent series of regular frequency spacing in 77 δ Scuti stars (from one to eight sequences) in the non-asymptotic regime. We introduce the sequence search method presenting the sequences and echelle diagram of CoRoT 102675756 and the structure of the algorithmic search. Four sequences (echelle ridges)more » were found in the 5–21 d{sup −1} region where the pairs of the sequences are shifted (between 0.5 and 0.59 d{sup −1}) by twice the value of the estimated rotational splitting frequency (0.269 d{sup −1}). The general conclusions for the whole sample are also presented in this paper. The statistics of the spacings derived by the sequence search method, by FT (Fourier transform of the frequencies), and the statistics of the shifts are also compared. In many stars more than one almost equally valid spacing appeared. The model frequencies of FG Vir and their rotationally split components were used to formulate the possible explanation that one spacing is the large separation while the other is the sum of the large separation and the rotational frequency. In CoRoT 102675756, the two spacings (2.249 and 1.977 d{sup −1}) are in better agreement with the sum of a possible 1.710 d{sup −1} large separation and two or one times, respectively, the value of the rotational frequency.« less

Computational nanometrology of line-edge roughness: noise effects, cross-line correlations and the role of etch transfer

NASA Astrophysics Data System (ADS)

Constantoudis, Vassilios; Papavieros, George; Lorusso, Gian; Rutigliani, Vito; Van Roey, Frieda; Gogolides, Evangelos

2018-03-01

The aim of this paper is to investigate the role of etch transfer in two challenges of LER metrology raised by recent evolutions in lithography: the effects of SEM noise and the cross-line and edge correlations. The first comes from the ongoing scaling down of linewidths, which dictates SEM imaging with less scanning frames to reduce specimen damage and hence with more noise. During the last decade, it has been shown that image noise can be an important budget of the measured LER while systematically affects and alter the PSD curve of LER at high frequencies. A recent method for unbiased LER measurement is based on the systematic Fourier or correlation analysis to decompose the effects of noise from true LER (Fourier-Correlation filtering method). The success of the method depends on the PSD and HHCF curve. Previous experimental and model works have revealed that etch transfer affects the PSD of LER reducing its high frequency values. In this work, we estimate the noise contribution to the biased LER through PSD flat floor at high frequencies and relate it with the differences between the PSDs of lithography and etched LER. Based on this comparison, we propose an improvement of the PSD/HHCF-based method for noise-free LER measurement to include the missed high frequency real LER. The second issue is related with the increased density of lithographic patterns and the special characteristics of DSA and MP lithography patterns exhibits. In a previous work, we presented an enlarged LER characterization methodology for such patterns, which includes updated versions of the old metrics along with new metrics defined and developed to capture cross-edge and cross-line correlations. The fundamental concept has been the Line Center Roughness (LCR), the edge c-factor and the line c-factor correlation function and length quantifying the line fluctuations and the extent of cross-edge and cross-line correlations. In this work, we focus on the role of etch steps on cross-edge and line correlation metrics in SAQP data. We find that the spacer etch steps reduce edge correlations while etch steps with pattern transfer increase these. Furthermore, the density doubling and quadrupling increase edge correlations as well as cross-line correlations.

Extraction of decision rules via imprecise probabilities

NASA Astrophysics Data System (ADS)

Abellán, Joaquín; López, Griselda; Garach, Laura; Castellano, Javier G.

2017-05-01

Data analysis techniques can be applied to discover important relations among features. This is the main objective of the Information Root Node Variation (IRNV) technique, a new method to extract knowledge from data via decision trees. The decision trees used by the original method were built using classic split criteria. The performance of new split criteria based on imprecise probabilities and uncertainty measures, called credal split criteria, differs significantly from the performance obtained using the classic criteria. This paper extends the IRNV method using two credal split criteria: one based on a mathematical parametric model, and other one based on a non-parametric model. The performance of the method is analyzed using a case study of traffic accident data to identify patterns related to the severity of an accident. We found that a larger number of rules is generated, significantly supplementing the information obtained using the classic split criteria.

A progress report on estuary modeling by the finite-element method

USGS Publications Warehouse

Gray, William G.

1978-01-01

Various schemes are investigated for finite-element modeling of two-dimensional surface-water flows. The first schemes investigated combine finite-element spatial discretization with split-step time stepping schemes that have been found useful in finite-difference computations. Because of the large number of numerical integrations performed in space and the large sparse matrices solved, these finite-element schemes were found to be economically uncompetitive with finite-difference schemes. A very promising leapfrog scheme is proposed which, when combined with a novel very fast spatial integration procedure, eliminates the need to solve any matrices at all. Additional problems attacked included proper propagation of waves and proper specification of the normal flow-boundary condition. This report indicates work in progress and does not come to a definitive conclusion as to the best approach for finite-element modeling of surface-water problems. The results presented represent findings obtained between September 1973 and July 1976. (Woodard-USGS)

Method and apparatus for sizing and separating warp yarns using acoustical energy

DOEpatents

Sheen, Shuh-Haw; Chien, Hual-Te; Raptis, Apostolos C.; Kupperman, David S.

1998-01-01

A slashing process for preparing warp yarns for weaving operations including the steps of sizing and/or desizing the yarns in an acoustic resonance box and separating the yarns with a leasing apparatus comprised of a set of acoustically agitated lease rods. The sizing step includes immersing the yarns in a size solution contained in an acoustic resonance box. Acoustic transducers are positioned against the exterior of the box for generating an acoustic pressure field within the size solution. Ultrasonic waves that result from the acoustic pressure field continuously agitate the size solution to effect greater mixing and more uniform application and penetration of the size onto the yarns. The sized yarns are then separated by passing the warp yarns over and under lease rods. Electroacoustic transducers generate acoustic waves along the longitudinal axis of the lease rods, creating a shearing motion on the surface of the rods for splitting the yarns.

The osmotic stress response of split influenza vaccine particles in an acidic environment.

PubMed

Choi, Hyo-Jick; Kim, Min-Chul; Kang, Sang-Moo; Montemagno, Carlo D

2014-12-01

Oral influenza vaccine provides an efficient means of preventing seasonal and pandemic disease. In this work, the stability of envelope-type split influenza vaccine particles in acidic environments has been investigated. Owing to the fact that hyper-osmotic stress can significantly affect lipid assembly of vaccine, osmotic stress-induced morphological change of split vaccine particles, in conjunction with structural change of antigenic proteins, was investigated by the use of stopped-flow light scattering (SFLS), intrinsic fluorescence, transmission electron microscopy (TEM), and hemagglutination assay. Split vaccine particles were found to exhibit a step-wise morphological change in response to osmotic stress due to double-layered wall structure. The presence of hyper-osmotic stress in acidic medium (0.3 osmolarity, pH 2.0) induced a significant level of membrane perturbation as measured by SFLS and TEM, imposing more damage to antigenic proteins on vaccine envelope than can be caused by pH-induced conformational change at acidic iso-osmotic condition. Further supports were provided by the intrinsic fluorescence and hemagglutinin activity measurements. Thus, hyper-osmotic stress becomes an important factor for determining stability of split vaccine particles in acidic medium. These results are useful in better understanding the destabilizing mechanism of split influenza vaccine particles in gastric environment and in designing oral influenza vaccine formulations.

Towards numerical prediction of cavitation erosion.

PubMed

Fivel, Marc; Franc, Jean-Pierre; Chandra Roy, Samir

2015-10-06

This paper is intended to provide a potential basis for a numerical prediction of cavitation erosion damage. The proposed method can be divided into two steps. The first step consists in determining the loading conditions due to cavitation bubble collapses. It is shown that individual pits observed on highly polished metallic samples exposed to cavitation for a relatively small time can be considered as the signature of bubble collapse. By combining pitting tests with an inverse finite-element modelling (FEM) of the material response to a representative impact load, loading conditions can be derived for each individual bubble collapse in terms of stress amplitude (in gigapascals) and radial extent (in micrometres). This step requires characterizing as accurately as possible the properties of the material exposed to cavitation. This characterization should include the effect of strain rate, which is known to be high in cavitation erosion (typically of the order of several thousands s(-1)). Nanoindentation techniques as well as compressive tests at high strain rate using, for example, a split Hopkinson pressure bar test system may be used. The second step consists in developing an FEM approach to simulate the material response to the repetitive impact loads determined in step 1. This includes a detailed analysis of the hardening process (isotropic versus kinematic) in order to properly account for fatigue as well as the development of a suitable model of material damage and failure to account for mass loss. Although the whole method is not yet fully operational, promising results are presented that show that such a numerical method might be, in the long term, an alternative to correlative techniques used so far for cavitation erosion prediction.

Towards numerical prediction of cavitation erosion

PubMed Central

Fivel, Marc; Franc, Jean-Pierre; Chandra Roy, Samir

2015-01-01

This paper is intended to provide a potential basis for a numerical prediction of cavitation erosion damage. The proposed method can be divided into two steps. The first step consists in determining the loading conditions due to cavitation bubble collapses. It is shown that individual pits observed on highly polished metallic samples exposed to cavitation for a relatively small time can be considered as the signature of bubble collapse. By combining pitting tests with an inverse finite-element modelling (FEM) of the material response to a representative impact load, loading conditions can be derived for each individual bubble collapse in terms of stress amplitude (in gigapascals) and radial extent (in micrometres). This step requires characterizing as accurately as possible the properties of the material exposed to cavitation. This characterization should include the effect of strain rate, which is known to be high in cavitation erosion (typically of the order of several thousands s−1). Nanoindentation techniques as well as compressive tests at high strain rate using, for example, a split Hopkinson pressure bar test system may be used. The second step consists in developing an FEM approach to simulate the material response to the repetitive impact loads determined in step 1. This includes a detailed analysis of the hardening process (isotropic versus kinematic) in order to properly account for fatigue as well as the development of a suitable model of material damage and failure to account for mass loss. Although the whole method is not yet fully operational, promising results are presented that show that such a numerical method might be, in the long term, an alternative to correlative techniques used so far for cavitation erosion prediction. PMID:26442139