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Sample records for d-tensor gradient method

  1. Variable metric conjugate gradient methods

    SciTech Connect

    Barth, T.; Manteuffel, T.

    1994-07-01

    1.1 Motivation. In this paper we present a framework that includes many well known iterative methods for the solution of nonsymmetric linear systems of equations, Ax = b. Section 2 begins with a brief review of the conjugate gradient method. Next, we describe a broader class of methods, known as projection methods, to which the conjugate gradient (CG) method and most conjugate gradient-like methods belong. The concept of a method having either a fixed or a variable metric is introduced. Methods that have a metric are referred to as either fixed or variable metric methods. Some relationships between projection methods and fixed (variable) metric methods are discussed. The main emphasis of the remainder of this paper is on variable metric methods. In Section 3 we show how the biconjugate gradient (BCG), and the quasi-minimal residual (QMR) methods fit into this framework as variable metric methods. By modifying the underlying Lanczos biorthogonalization process used in the implementation of BCG and QMR, we obtain other variable metric methods. These, we refer to as generalizations of BCG and QMR.

  2. Conjugate gradient method - Electromagnetism applications

    NASA Astrophysics Data System (ADS)

    Mosig, Juan R.

    1987-10-01

    This paper presents a brief but rigorous description of the conjugate gradient technique as applied to the solution of algebraic linear systems with complex coefficients. The relationships between conjugate gradient techniques and other commonly used methods are established. A normalized algorithm is introduced which optimally exploits the computer capabilities. Its performance is compared with that of Gaussian elimination by numerical tests on Hilbert matrices of more than a thousand unknowns. As a practical application, the problem of electrostatic screening by a finite ground plane has been solved with this technique.

  3. A new family of conjugate gradient methods

    NASA Astrophysics Data System (ADS)

    Shi, Zhen-Jun; Guo, Jinhua

    2009-02-01

    In this paper we develop a new class of conjugate gradient methods for unconstrained optimization problems. A new nonmonotone line search technique is proposed to guarantee the global convergence of these conjugate gradient methods under some mild conditions. In particular, Polak-Ribiére-Polyak and Liu-Storey conjugate gradient methods are special cases of the new class of conjugate gradient methods. By estimating the local Lipschitz constant of the derivative of objective functions, we can find an adequate step size and substantially decrease the function evaluations at each iteration. Numerical results show that these new conjugate gradient methods are effective in minimizing large-scale non-convex non-quadratic functions.

  4. Visualization of 3-D tensor fields

    NASA Technical Reports Server (NTRS)

    Hesselink, L.

    1996-01-01

    Second-order tensor fields have applications in many different areas of physics, such as general relativity and fluid mechanics. The wealth of multivariate information in tensor fields makes them more complex and abstract than scalar and vector fields. Visualization is a good technique for scientists to gain new insights from them. Visualizing a 3-D continuous tensor field is equivalent to simultaneously visualizing its three eigenvector fields. In the past, research has been conducted in the area of two-dimensional tensor fields. It was shown that degenerate points, defined as points where eigenvalues are equal to each other, are the basic singularities underlying the topology of tensor fields. Moreover, it was shown that eigenvectors never cross each other except at degenerate points. Since we live in a three-dimensional world, it is important for us to understand the underlying physics of this world. In this report, we describe a new method for locating degenerate points along with the conditions for classifying them in three-dimensional space. Finally, we discuss some topological features of three-dimensional tensor fields, and interpret topological patterns in terms of physical properties.

  5. Approximate error conjugation gradient minimization methods

    DOEpatents

    Kallman, Jeffrey S

    2013-05-21

    In one embodiment, a method includes selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, calculating an approximate error using the subset of rays, and calculating a minimum in a conjugate gradient direction based on the approximate error. In another embodiment, a system includes a processor for executing logic, logic for selecting a subset of rays from a set of all rays to use in an error calculation for a constrained conjugate gradient minimization problem, logic for calculating an approximate error using the subset of rays, and logic for calculating a minimum in a conjugate gradient direction based on the approximate error. In other embodiments, computer program products, methods, and systems are described capable of using approximate error in constrained conjugate gradient minimization problems.

  6. A new nonlinear conjugate gradient method

    NASA Astrophysics Data System (ADS)

    Abdelrahman, Awad; Mamat, Mustafa; Mohd, Ismail bin; Rivaie, Mohd; Omer, Osman

    2015-02-01

    Conjugate gradient (CG) methods are essential for solving large-scale unconstrained optimization problems. Many of studies and modifications have been practiced to improve this method. In this paper, a new class of conjugate gradient coefficients (βk) with a new parameter m = ‖g/k‖ ‖dk-1‖ that possess global convergence properties is presented. The global convergence and sufficient decent property result is established using inexact line searches to determine the step size of CG, denoted as ∝k. Numerical result shows that the new formula is superior and more efficient when compared to other CG coefficients.

  7. The multigrid preconditioned conjugate gradient method

    NASA Technical Reports Server (NTRS)

    Tatebe, Osamu

    1993-01-01

    A multigrid preconditioned conjugate gradient method (MGCG method), which uses the multigrid method as a preconditioner of the PCG method, is proposed. The multigrid method has inherent high parallelism and improves convergence of long wavelength components, which is important in iterative methods. By using this method as a preconditioner of the PCG method, an efficient method with high parallelism and fast convergence is obtained. First, it is considered a necessary condition of the multigrid preconditioner in order to satisfy requirements of a preconditioner of the PCG method. Next numerical experiments show a behavior of the MGCG method and that the MGCG method is superior to both the ICCG method and the multigrid method in point of fast convergence and high parallelism. This fast convergence is understood in terms of the eigenvalue analysis of the preconditioned matrix. From this observation of the multigrid preconditioner, it is realized that the MGCG method converges in very few iterations and the multigrid preconditioner is a desirable preconditioner of the conjugate gradient method.

  8. 3D tensor-based blind multispectral image decomposition for tumor demarcation

    NASA Astrophysics Data System (ADS)

    Kopriva, Ivica; Peršin, Antun

    2010-03-01

    Blind decomposition of multi-spectral fluorescent image for tumor demarcation is formulated exploiting tensorial structure of the image. First contribution of the paper is identification of the matrix of spectral responses and 3D tensor of spatial distributions of the materials present in the image from Tucker3 or PARAFAC models of 3D image tensor. Second contribution of the paper is clustering based estimation of the number of the materials present in the image as well as matrix of their spectral profiles. 3D tensor of the spatial distributions of the materials is recovered through 3-mode multiplication of the multi-spectral image tensor and inverse of the matrix of spectral profiles. Tensor representation of the multi-spectral image preserves its local spatial structure that is lost, due to vectorization process, when matrix factorization-based decomposition methods (such as non-negative matrix factorization and independent component analysis) are used. Superior performance of the tensor-based image decomposition over matrix factorization-based decompositions is demonstrated on experimental red-green-blue (RGB) image with known ground truth as well as on RGB fluorescent images of the skin tumor (basal cell carcinoma).

  9. M-step preconditioned conjugate gradient methods

    NASA Technical Reports Server (NTRS)

    Adams, L.

    1983-01-01

    Preconditioned conjugate gradient methods for solving sparse symmetric and positive finite systems of linear equations are described. Necessary and sufficient conditions are given for when these preconditioners can be used and an analysis of their effectiveness is given. Efficient computer implementations of these methods are discussed and results on the CYBER 203 and the Finite Element Machine under construction at NASA Langley Research Center are included.

  10. Optimization using the gradient and simplex methods.

    PubMed

    Cerdà, Víctor; Cerdà, Juan Luis; Idris, Abubakr M

    2016-02-01

    Traditionally optimization of analytical methods has been conducted using a univariate method, varying each parameter one-by-one holding fixed the remaining. This means in many cases to reach only local minima and not get the real optimum. Among the various options for multivariate optimization, this paper highlights the gradient method, which involves the ability to perform the partial derivatives of a mathematical model, as well as the simplex method that does not require that condition. The advantages and disadvantages of those two multivariate optimization methods are discussed, indicating when they can be applied and the different forms that have been introduced. Different cases are described on the applications of these methods in analytical chemistry.

  11. Background field method in the gradient flow

    NASA Astrophysics Data System (ADS)

    Suzuki, Hiroshi

    2015-10-01

    In perturbative consideration of the Yang-Mills gradient flow, it is useful to introduce a gauge non-covariant term (“gauge-fixing term”) to the flow equation that gives rise to a Gaussian damping factor also for gauge degrees of freedom. In the present paper, we consider a modified form of the gauge-fixing term that manifestly preserves covariance under the background gauge transformation. It is shown that our gauge-fixing term does not affect gauge-invariant quantities as does the conventional gauge-fixing term. The formulation thus allows a background gauge covariant perturbative expansion of the flow equation that provides, in particular, a very efficient computational method of expansion coefficients in the small flow time expansion. The formulation can be generalized to systems containing fermions.

  12. Iterative Method for Predistortion of MRI Gradient Waveforms

    PubMed Central

    Harkins, Kevin D.; Does, Mark D.; Grissom, William A.

    2014-01-01

    The purpose of this work is to correct for transient gradient waveform errors in magnetic resonance imaging (MRI), whether from eddy currents, group delay, or gradient amplifier nonlinearities, which are known to affect image quality. An iterative method is proposed to minimize error between desired and measured gradient waveforms, whose success does not depend on accurate knowledge of the gradient system impulse response. The method was applied to half-pulse excitation for 2-D ultra-short echo time (UTE) imaging on a small animal MRI system and to spiral 2-D excitation on a human 7T MRI system. Predistorted gradient waveforms reduced temporal signal variation caused by excitation gradient trajectory errors in 2-D UTE, and improved the quality of excitation patterns produced by spiral excitation pulses. Iterative gradient predistortion is useful for minimizing transient gradient errors without requiring accurate characterization of the gradient system impulse response. PMID:24801945

  13. A method for easily customizable gradient gel electrophoresis.

    PubMed

    Miller, Andrew J; Roman, Brandon; Norstrom, Eric

    2016-09-15

    Gradient polyacrylamide gel electrophoresis is a powerful tool for the resolution of polypeptides by relative mobility. Here, we present a simplified method for generating polyacrylamide gradient gels for routine analysis without the need for specialized mixing equipment. The method allows for easily customizable gradients which can be optimized for specific polypeptide resolution requirements. Moreover, the method eliminates the possibility of buffer cross contamination in mixing equipment, and the time and resources saved with this method in place of traditional gradient mixing, or the purchase of pre-cast gels, are noteworthy given the frequency with which many labs use gradient gel SDS-PAGE. Copyright © 2016 Elsevier Inc. All rights reserved.

  14. Comparison of genetic algorithms with conjugate gradient methods

    NASA Technical Reports Server (NTRS)

    Bosworth, J. L.; Foo, N. Y.; Zeigler, B. P.

    1972-01-01

    Genetic algorithms for mathematical function optimization are modeled on search strategies employed in natural adaptation. Comparisons of genetic algorithms with conjugate gradient methods, which were made on an IBM 1800 digital computer, show that genetic algorithms display superior performance over gradient methods for functions which are poorly behaved mathematically, for multimodal functions, and for functions obscured by additive random noise. Genetic methods offer performance comparable to gradient methods for many of the standard functions.

  15. Multi-gradient drilling method and system

    DOEpatents

    Maurer, William C.; Medley, Jr., George H.; McDonald, William J.

    2003-01-01

    A multi-gradient system for drilling a well bore from a surface location into a seabed includes an injector for injecting buoyant substantially incompressible articles into a column of drilling fluid associated with the well bore. Preferably, the substantially incompressible articles comprises hollow substantially spherical bodies.

  16. Computer Subroutines for Analytic Rotation by Two Gradient Methods.

    ERIC Educational Resources Information Center

    van Thillo, Marielle

    Two computer subroutine packages for the analytic rotation of a factor matrix, A(p x m), are described. The first program uses the Flectcher (1970) gradient method, and the second uses the Polak-Ribiere (Polak, 1971) gradient method. The calculations in both programs involve the optimization of a function of free parameters. The result is a…

  17. A new method of determining moisture gradient in wood

    Treesearch

    Zhiyong Cai

    2008-01-01

    Moisture gradient in wood and wood composites is one of most important factors that affects both physical stability and mechanical performance. This paper describes a method for measuring moisture gradient in lumber and engineering wood composites as it varies across material thickness. This innovative method employs a collimated radiation beam (x rays or [gamma] rays...

  18. The global convergence properties of a conjugate gradient method

    NASA Astrophysics Data System (ADS)

    Omer, Osman; Mamat, Mustafa; Abashar, Abdelrhaman; Rivaie, Mohd

    2014-06-01

    Conjugate gradient methods are the most famous methods for solving nonlinear unconstrained optimization problems, especially large scale problems. That is, for its simplicity and low memory requirement. The strong Wolfe line search are usually used in practice for the analyses and implementations of conjugate gradient methods. In this paper, we present a new method of nonlinear conjugate gradient method with strong Wolfe line search for unconstrained optimization problems. Under some assumptions, the sufficient descent property and the global convergence are given. The numerical results show that our new method is efficient for some unconstrained optimization problems.

  19. New method of underwater passive navigation based on gravity gradient

    NASA Astrophysics Data System (ADS)

    Wu, Lin; Gong, Jiaqi; Cheng, Hua; Ma, Jie; Tian, Jinwen

    2007-11-01

    A new method of underwater passive navigation based on gravity gradient is proposed in this paper. In comparison with some other geophysical characteristics such as gravity or gravity anomaly, gravity gradient which is the second derivative of gravitational potential has better spatial resolution and more sensitive to terrain changes. Through it, the digitally stored gravity gradient maps and real-time gravity gradient measurements can be taken as input information, with gravity gradient linearization techniques and extended Kalman filter, the navigation errors of INS are estimated by using gravity gradient error, therefore the output in the inertial navigation system are corrected. Simulation test has been done and the results show that, the method is effective and efficient for the positioning precision improvement.

  20. Gradient porous hydroxyapatite ceramics fabricated by freeze casting method

    NASA Astrophysics Data System (ADS)

    Zuo, Kai-hui; zhang, Yuan; Jiang, Dongliang; Zeng, Yu-Ping

    2011-04-01

    By controlling the cooling rates and the composition of slurries, the gradient porous hydroxyapatite ceramics are fabricated by the freeze casting method. According to the different cooling rate, the pores of HAP ceramics fabricated by gradient freeze casting are divided into three parts: one is lamellar pores, another is column pore and the last one is fine round pores. The laminated freeze casting is in favour of obtaining the gradient porous ceramics composed of different materials and the ceramics have unclear interfaces.

  1. Discrete gradient methods for solving variational image regularisation models

    NASA Astrophysics Data System (ADS)

    Grimm, V.; McLachlan, Robert I.; McLaren, David I.; Quispel, G. R. W.; Schönlieb, C.-B.

    2017-07-01

    Discrete gradient methods are well-known methods of geometric numerical integration, which preserve the dissipation of gradient systems. In this paper we show that this property of discrete gradient methods can be interesting in the context of variational models for image processing, that is where the processed image is computed as a minimiser of an energy functional. Numerical schemes for computing minimisers of such energies are desired to inherit the dissipative property of the gradient system associated to the energy and consequently guarantee a monotonic decrease of the energy along iterations, avoiding situations in which more computational work might lead to less optimal solutions. Under appropriate smoothness assumptions on the energy functional we prove that discrete gradient methods guarantee a monotonic decrease of the energy towards stationary states, and we promote their use in image processing by exhibiting experiments with convex and non-convex variational models for image deblurring, denoising, and inpainting.

  2. Analytic Gradients for the Effective Fragment Molecular Orbital Method.

    PubMed

    Bertoni, Colleen; Gordon, Mark S

    2016-10-11

    The analytic gradient for the Coulomb, polarization, exchange-repulsion, and dispersion terms of the fully integrated effective fragment molecular orbital (EFMO) method is derived and the implementation is discussed. The derivation of the EFMO analytic gradient is more complicated than that for the effective fragment potential (EFP) gradient, because the geometry of each EFP fragment is flexible (not rigid) in the EFMO approach. The accuracy of the gradient is demonstrated by comparing the EFMO analytic gradient with the numeric gradient for several systems, and by assessing the energy conservation during an EFMO NVE ensemble molecular dynamics simulation of water molecules. In addition to facilitating accurate EFMO geometry optimizations, this allows calculations with flexible EFP fragments to be performed.

  3. A Spectral Conjugate Gradient Method for Unconstrained Optimization

    SciTech Connect

    Birgin, E. G. Martinez, J. M.

    2001-07-01

    A family of scaled conjugate gradient algorithms for large-scale unconstrained minimization is defined. The Perry, the Polak-Ribiere and the Fletcher-Reeves formulae are compared using a spectral scaling derived from Raydan's spectral gradient optimization method. The best combination of formula, scaling and initial choice of step-length is compared against well known algorithms using a classical set of problems. An additional comparison involving an ill-conditioned estimation problem in Optics is presented.

  4. A note on spectral properties of some gradient methods

    NASA Astrophysics Data System (ADS)

    di Serafino, Daniela; Ruggiero, Valeria; Toraldo, Gerardo; Zanni, Luca

    2016-10-01

    Starting from the work by Barzilai and Borwein, gradient methods have gained a great amount of attention, and efficient low-cost schemes are available nowadays. The acceleration strategies used by these methods are based on the definition of effective steplength updating rules, which capture spectral properties of the Hessian of the objective function. The methods arising from this idea represent effective computational tools, extremely appealing for a variety of large-scale optimization problems arising in applications. In this work we discuss the spectral properties of some recently proposed gradient methods with the aim of providing insight into their computational effectiveness. Numerical experiments supporting and illustrating the theoretical analysis are provided.

  5. Exploring chemical space with discrete, gradient, and hybrid optimization methods.

    PubMed

    Balamurugan, D; Yang, Weitao; Beratan, David N

    2008-11-07

    Discrete, gradient, and hybrid optimization methods are applied to the challenge of discovering molecules with optimized properties. The cost and performance of the approaches were studied using a tight-binding model to maximize the static first electronic hyperpolarizability of molecules. Our analysis shows that discrete branch and bound methods provide robust strategies for inverse chemical design involving diverse chemical structures. Based on the linear combination of atomic potentials, a hybrid discrete-gradient optimization strategy significantly improves the performance of the gradient methods. The hybrid method performs better than dead-end elimination and competes with branch and bound and genetic algorithms. The branch and bound methods for these model Hamiltonians are more cost effective than genetic algorithms for moderate-sized molecular optimization.

  6. Variable methods to estimate the ionospheric horizontal gradient

    NASA Astrophysics Data System (ADS)

    Nagarajoo, Karthigesu

    2016-06-01

    DGPS or differential Global Positioning System is a system where the range error at a reference station (after eliminating the error due to its’ clock, hardware delay and multipath) will be eliminated from the range measurement at the user, which view the same satellite, presuming that the satellites path to both the reference station and the user experience common errors due to the ionosphere, clock errors etc. In this assumption, the error due to the ionospheric refraction is assumed to be the same for the two closely spaced paths (such as a baseline length between reference station and the user of 10km as used in simulations throughout this paper, unless otherwise stated) and thus the presence of ionospheric horizontal gradient is ignored. If a user's path is exposed to a drastically large ionosphere gradient, the large difference of ionosphere delays between the reference station and the user can result in significant position error for the user. Several examples of extremely large ionosphere gradients that could cause the significant user errors have been observed. The ionospheric horizontal gradient could be obtained instead from the gradient of the Total Electron Content, TEC observed from a number of received GPS satellites at one or more reference stations or based on empirical models updated with real time data. To investigate the former, in this work, the dual frequency method has been used to obtain both South-North and East-West gradients by using four different receiving stations separated in those directions. In addition, observation data from Navy Ionospheric Monitoring System (NIMS) receivers and the TEC contour map from Rutherford Appleton Laboratory (RAL) UK have also been used in order to define the magnitude and direction of the gradient.

  7. Discontinuous Galerkin finite element methods for gradient plasticity.

    SciTech Connect

    Garikipati, Krishna.; Ostien, Jakob T.

    2010-10-01

    In this report we apply discontinuous Galerkin finite element methods to the equations of an incompatibility based formulation of gradient plasticity. The presentation is motivated with a brief overview of the description of dislocations within a crystal lattice. A tensor representing a measure of the incompatibility with the lattice is used in the formulation of a gradient plasticity model. This model is cast in a variational formulation, and discontinuous Galerkin machinery is employed to implement the formulation into a finite element code. Finally numerical examples of the model are shown.

  8. Tomographic fluorescence reconstruction by a spectral projected gradient pursuit method

    NASA Astrophysics Data System (ADS)

    Ye, Jinzuo; An, Yu; Mao, Yamin; Jiang, Shixin; Yang, Xin; Chi, Chongwei; Tian, Jie

    2015-03-01

    In vivo fluorescence molecular imaging (FMI) has played an increasingly important role in biomedical research of preclinical area. Fluorescence molecular tomography (FMT) further upgrades the two-dimensional FMI optical information to three-dimensional fluorescent source distribution, which can greatly facilitate applications in related studies. However, FMT presents a challenging inverse problem which is quite ill-posed and ill-conditioned. Continuous efforts to develop more practical and efficient methods for FMT reconstruction are still needed. In this paper, a method based on spectral projected gradient pursuit (SPGP) has been proposed for FMT reconstruction. The proposed method was based on the directional pursuit framework. A mathematical strategy named the nonmonotone line search was associated with the SPGP method, which guaranteed the global convergence. In addition, the Barzilai-Borwein step length was utilized to build the new step length of the SPGP method, which was able to speed up the convergence of this gradient method. To evaluate the performance of the proposed method, several heterogeneous simulation experiments including multisource cases as well as comparative analyses have been conducted. The results demonstrated that, the proposed method was able to achieve satisfactory source localizations with a bias less than 1 mm; the computational efficiency of the method was one order of magnitude faster than the contrast method; and the fluorescence reconstructed by the proposed method had a higher contrast to the background than the contrast method. All the results demonstrated the potential for practical FMT applications with the proposed method.

  9. Application of Conjugate Gradient methods to tidal simulation

    USGS Publications Warehouse

    Barragy, E.; Carey, G.F.; Walters, R.A.

    1993-01-01

    A harmonic decomposition technique is applied to the shallow water equations to yield a complex, nonsymmetric, nonlinear, Helmholtz type problem for the sea surface and an accompanying complex, nonlinear diagonal problem for the velocities. The equation for the sea surface is linearized using successive approximation and then discretized with linear, triangular finite elements. The study focuses on applying iterative methods to solve the resulting complex linear systems. The comparative evaluation includes both standard iterative methods for the real subsystems and complex versions of the well known Bi-Conjugate Gradient and Bi-Conjugate Gradient Squared methods. Several Incomplete LU type preconditioners are discussed, and the effects of node ordering, rejection strategy, domain geometry and Coriolis parameter (affecting asymmetry) are investigated. Implementation details for the complex case are discussed. Performance studies are presented and comparisons made with a frontal solver. ?? 1993.

  10. Gradient-based image recovery methods from incomplete Fourier measurements.

    PubMed

    Patel, Vishal M; Maleh, Ray; Gilbert, Anna C; Chellappa, Rama

    2012-01-01

    A major problem in imaging applications such as magnetic resonance imaging and synthetic aperture radar is the task of trying to reconstruct an image with the smallest possible set of Fourier samples, every single one of which has a potential time and/or power cost. The theory of compressive sensing (CS) points to ways of exploiting inherent sparsity in such images in order to achieve accurate recovery using sub-Nyquist sampling schemes. Traditional CS approaches to this problem consist of solving total-variation (TV) minimization programs with Fourier measurement constraints or other variations thereof. This paper takes a different approach. Since the horizontal and vertical differences of a medical image are each more sparse or compressible than the corresponding TV image, CS methods will be more successful in recovering these differences individually. We develop an algorithm called GradientRec that uses a CS algorithm to recover the horizontal and vertical gradients and then estimates the original image from these gradients. We present two methods of solving the latter inverse problem, i.e., one based on least-square optimization and the other based on a generalized Poisson solver. After a thorough derivation of our complete algorithm, we present the results of various experiments that compare the effectiveness of the proposed method against other leading methods.

  11. Conjugate Gradient Methods for Constrained Least Squares Problems

    DTIC Science & Technology

    1990-01-01

    TINO Hi!AGL . edi"o ar m m Conjugate Gradient Methods for Constrained Least Squares Problems by Douglas James A thesis 3ubmitted to the Graduate Faculty...Breakdown of Incomplete QR Factorizations The research which led to this dissertation began with a look at incomplete QR preconditioners for ordinary...AFIT/CI/CIA- 90-013D 6a. NAME OF PERFORMING ORGANIZATION 6b. OFFICE SYMBOL 7&. NAME OF MONITORING ORGANIZATION AFIT STUDENT AT (if applicable) AFIT/CIA

  12. An Adaptive Mesh Refined Gradient-Augmented Level Set Method

    NASA Astrophysics Data System (ADS)

    Nave, Jean-Christophe; Seibold, Benjamin; Rosales, Ruben

    2010-11-01

    The Gradient-Augmented Level Set method (GA-LS) was introduced at the 62^nd annual APS-DFD meeting by Nave et al. (arXiv:0905.3409). Leveraging the optimal locality and unconditional stability of the method, we present a natural extension to adaptive quad-tree meshes. The new method possesses many desirable features such as improved mass conservation, reduced computational effort, and is, due to the optimal locality property of the underlying GA-LS, very easy to implement. Several key benchmark tests will be presented to help demonstrate the benefits of the approach, and the overall simplicity of the algorithm.

  13. Dispersion serial dilution methods using the gradient diluter device.

    PubMed

    Walling, Leslie; Schulz, Craig; Johnson, Michael

    2012-12-01

    A solute aspirated into a prefilled tube of diluent undergoes a dilution effect known as dispersion. Traditionally the effects of dispersion have been considered a negative consequence of using liquid-filled fixed-tip liquid handlers. We present a novel device and technique that utilizes the effects of dispersion to the benefit of making dilutions. The device known as the Gradient Diluter extends the dilution range of practical serial dilutions to six orders of magnitude in final volumes as low as 10 μL. Presented are the device, dispersion methods, and validation tests using fluorescence detection of sulforhodamine and the high-performance liquid chromatography/ultraviolet detection of furosemide. In addition, a T-cell inhibition assay of a relevant downstream protein is used to demonstrate IC(50) curves made with the Gradient Diluter compare favorably with those generated by hand.

  14. Gradient-based optimum aerodynamic design using adjoint methods

    NASA Astrophysics Data System (ADS)

    Xie, Lei

    2002-09-01

    Continuous adjoint methods and optimal control theory are applied to a pressure-matching inverse design problem of quasi 1-D nozzle flows. Pontryagin's Minimum Principle is used to derive the adjoint system and the reduced gradient of the cost functional. The properties of adjoint variables at the sonic throat and the shock location are studied, revealing a log-arithmic singularity at the sonic throat and continuity at the shock location. A numerical method, based on the Steger-Warming flux-vector-splitting scheme, is proposed to solve the adjoint equations. This scheme can finely resolve the singularity at the sonic throat. A non-uniform grid, with points clustered near the throat region, can resolve it even better. The analytical solutions to the adjoint equations are also constructed via Green's function approach for the purpose of comparing the numerical results. The pressure-matching inverse design is then conducted for a nozzle parameterized by a single geometric parameter. In the second part, the adjoint methods are applied to the problem of minimizing drag coefficient, at fixed lift coefficient, for 2-D transonic airfoil flows. Reduced gradients of several functionals are derived through application of a Lagrange Multiplier Theorem. The adjoint system is carefully studied including the adjoint characteristic boundary conditions at the far-field boundary. A super-reduced design formulation is also explored by treating the angle of attack as an additional state; super-reduced gradients can be constructed either by solving adjoint equations with non-local boundary conditions or by a direct Lagrange multiplier method. In this way, the constrained optimization reduces to an unconstrained design problem. Numerical methods based on Jameson's finite volume scheme are employed to solve the adjoint equations. The same grid system generated from an efficient hyperbolic grid generator are adopted in both the Euler flow solver and the adjoint solver. Several

  15. A conjugate gradient method with descent direction for unconstrained optimization

    NASA Astrophysics Data System (ADS)

    Yuan, Gonglin; Lu, Xiwen; Wei, Zengxin

    2009-11-01

    A modified conjugate gradient method is presented for solving unconstrained optimization problems, which possesses the following properties: (i) The sufficient descent property is satisfied without any line search; (ii) The search direction will be in a trust region automatically; (iii) The Zoutendijk condition holds for the Wolfe-Powell line search technique; (iv) This method inherits an important property of the well-known Polak-Ribière-Polyak (PRP) method: the tendency to turn towards the steepest descent direction if a small step is generated away from the solution, preventing a sequence of tiny steps from happening. The global convergence and the linearly convergent rate of the given method are established. Numerical results show that this method is interesting.

  16. A new noise reduction method for airborne gravity gradient data

    NASA Astrophysics Data System (ADS)

    Jirigalatu; Ebbing, Jörg; Sebera, Josef

    2016-09-01

    Airborne gravity gradient (AGG) measurements offer an increased resolution and accuracy compared to terrestrial measurements. But interpretation and processing of AGG data are often challenging as levelling errors and survey noise affect the data, and these effects are not easily recognised in the gradient components. We adopted the classic method of upward continuation in the noise reduction using the noise level estimates by the AGG system. By iteratively projecting the survey data to a lower level and upward continuing the data back to the survey height, parts of the high-frequency signal are suppressed. The filter, which is defined by this approach, is directly dependent on the noise level of the AGG data, the maximum number of iterations and the iterative step. We demonstrate the method by applying it to both synthetic data and real AGG data over Karasjok, Norway, and compare the results to the directional filtering method. The results show that the iterative filter can effectively reduce high-frequency noise in the data.

  17. Testing Method for Heat Resistance Under Temperature Gradient

    NASA Astrophysics Data System (ADS)

    Takagi, K.; Kawasaki, A.; Itoh, Y.; Harada, Y.; Ono, F.

    2007-12-01

    “Testing Method for Heat Resistance under Temperature Gradient” is a Japanese Industrial Standard (JIS) newly established by the Minister of Economy, Trade and Industry, after deliberations by the Japanese Industrial Standards Committee, in accordance with the Industrial Standardization Law. This standard specified the testing method for heat resistance under temperature gradient of materials and coated members of equipment exposed to high temperature, such as aircraft engines, gas turbines, and so on. This paper introduces the principle and overview of the established standard. In addition, taking the heat cycle test using the burner rig for instance, we specifically illustrate the acquirable data and their analysis in the standard. Monitoring of the effective thermal conductivity and acoustic emission particularly enables to the non-destructive evaluation of failure cycle.

  18. Protein crystallization in low gravity by step gradient diffusion method

    NASA Astrophysics Data System (ADS)

    Sygusch, Jurgen; Coulombe, René; Cassanto, John M.; Sportiello, Michael G.; Todd, Paul

    1996-05-01

    Two-step crystallization experiments were conducted in low gravity employing a liquid-liquid diffusion method in an effort to eliminate problems associated with protein crystal growth under the supersaturating conditions required for nucleation. Experiments were performed in diffusion cells formed by the sliding of blocks on orbit. Step gradient diffusion experiments consisted of first exposing protein solutions in diffusion half-wells for brief periods to initiating buffer solutions of high precipitant concentrations to induce nucleation followed by exposure of the same protein solutions to solutions of lower precipitant concentration to promote growth of induced nuclei into crystals. To avoid convective disturbances that occur when solutions of discrepant densities are interfaced at normal gravity, crystallization of hen egg-white lysozyme and rabbit skeletal muscle aldolase by step gradient diffusion was investigated in low gravity on four NASA space shuttle flights. In general, the largest crystals of both proteins formed at the highest initiating precipitant concentration used, which is consistent with nuclei formation upon brief exposure to high precipitant concentration, and that these nuclei are competent for sustained growth at lower precipitant concentration. The two-step approach dissociates nucleation events from crystal growth allowing parameters affecting nucleation kinetics such as time, precipitant concentration and temperature of nucleation to be varied separately from conditions used for post-nucleation growth.

  19. Conjugate gradient methods with sufficient descent condition for large-scale unconstrained optimization

    NASA Astrophysics Data System (ADS)

    Ling, Mei Mei; Leong, Wah June

    2014-12-01

    In this paper, we make a modification to the standard conjugate gradient method so that its search direction satisfies the sufficient descent condition. We prove that the modified conjugate gradient method is globally convergent under Armijo line search. Numerical results show that the proposed conjugate gradient method is efficient compared to some of its standard counterparts for large-scale unconstrained optimization.

  20. A method to stabilize linear systems using eigenvalue gradient information

    NASA Technical Reports Server (NTRS)

    Wieseman, C. D.

    1985-01-01

    Formal optimization methods and eigenvalue gradient information are used to develop a stabilizing control law for a closed loop linear system that is initially unstable. The method was originally formulated by using direct, constrained optimization methods with the constraints being the real parts of the eigenvalues. However, because of problems in trying to achieve stabilizing control laws, the problem was reformulated to be solved differently. The method described uses the Davidon-Fletcher-Powell minimization technique to solve an indirect, constrained minimization problem in which the performance index is the Kreisselmeier-Steinhauser function of the real parts of all the eigenvalues. The method is applied successfully to solve two different problems: the determination of a fourth-order control law stabilizes a single-input single-output active flutter suppression system and the determination of a second-order control law for a multi-input multi-output lateral-directional flight control system. Various sets of design variables and initial starting points were chosen to show the robustness of the method.

  1. Aerodynamic shape optimization using preconditioned conjugate gradient methods

    NASA Technical Reports Server (NTRS)

    Burgreen, Greg W.; Baysal, Oktay

    1993-01-01

    In an effort to further improve upon the latest advancements made in aerodynamic shape optimization procedures, a systematic study is performed to examine several current solution methodologies as applied to various aspects of the optimization procedure. It is demonstrated that preconditioned conjugate gradient-like methodologies dramatically decrease the computational efforts required for such procedures. The design problem investigated is the shape optimization of the upper and lower surfaces of an initially symmetric (NACA-012) airfoil in inviscid transonic flow and at zero degree angle-of-attack. The complete surface shape is represented using a Bezier-Bernstein polynomial. The present optimization method then automatically obtains supercritical airfoil shapes over a variety of freestream Mach numbers. Furthermore, the best optimization strategy examined resulted in a factor of 8 decrease in computational time as well as a factor of 4 decrease in memory over the most efficient strategies in current use.

  2. Gradient domain methods with application to 4D scene reconstruction

    NASA Astrophysics Data System (ADS)

    Di Martino, J. Matías; Fernández, Alicia; Ferrari, José A.

    2015-03-01

    In many applications such as Photometric Stereo, Shape from Shading, Differential 3D reconstruction and Image Editing in gradient domain it is important to integrate a retrieved gradient field. In most of the real experiments, the retrieved gradient fields correspond to nonintegrable fields (i.e. they are not irrotational on every point of the domain). Robust approaches have been proposed to deal with noisy nonintegrable gradient fields. In this work we extend some of these techniques for the case of dynamic scenes when the gradient field in the x - y domain can be estimated over time. We exploit temporal consistency in the scene to ensure integrability and improve the accuracy of the results. In addition, two known integration algorithms are reviewed and important implementation details are discussed. Experiments with synthetic and real data showing some potential applications for the proposed framework are presented.

  3. A new conjugate gradient method and its global convergence under the exact line search

    NASA Astrophysics Data System (ADS)

    Omer, Osman; Rivaie, Mohd; Mamat, Mustafa; Abdalla, Awad

    2014-12-01

    The conjugate gradient methods are numerously used for solving nonlinear unconstrained optimization problems, especially of large scale. Their wide applications are due to their simplicity and low memory requirement. To analyze conjugate gradient methods, two types of line searches are used; exact and inexact. In this paper, we present a new method of nonlinear conjugate gradient methods under the exact line search. The theoretical analysis shows that the new method generates a descent direction in each iteration and globally convergent under the exact line search. Moreover, numerical experiments based on comparing the new method with other well known conjugate gradient methods show that the new is efficient for some unconstrained optimization problems.

  4. Investigation of gradient structures prepared by laser ablation method

    NASA Astrophysics Data System (ADS)

    Ciosek, Jerzy; Budner, Boguslaw; Burdynska, Sylwia; Jedynski, Marcin; Minikayev, Roman; Prokopiuk, Artur; Mroz, Waldemar

    2010-12-01

    Gradient structures are very important for sensors, laser and wave-guide techniques, telecommunications and other techniques which employ radiation propagation and conversion. By varying admixture concentration, the stress occurring in the structure may increase or reduce, which is vital for charge carrier movement velocity. We discusse two kind of gradient structures of thin TiNx layer with a total thickness of approximately 22 nm deposited on the Si(100) substrate and multi-layer structures with a Si-Pd and Si-Mg bi-layer periods. The gradient structures were deposited using a laser ablation of target-compound materials. A Lambda Physics excimer laser (model LPX 305i; t ~ 15 ns, λ = 193 nm) with f = 5 Hz operating frequency was used for layer depositing. The analyses confirmed the presence of the gradient distribution of deposited materials. The gradient structures proved highly sensitive to both thermal effects and strong adsorption of ambient gases. The usefulness of titanium-containing structures for gas, especially hydrogen and oxygen, sensors was confirmed. Due to the strong gas adsorption, the gradient structures used in radiation conversion or waveguide technology should be adequately protected against ambient conditions.

  5. A penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography.

    PubMed

    Shang, Shang; Bai, Jing; Song, Xiaolei; Wang, Hongkai; Lau, Jaclyn

    2007-01-01

    Conjugate gradient method is verified to be efficient for nonlinear optimization problems of large-dimension data. In this paper, a penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography (FMT) is presented. The algorithm combines the linear conjugate gradient method and the nonlinear conjugate gradient method together based on a restart strategy, in order to take advantage of the two kinds of conjugate gradient methods and compensate for the disadvantages. A quadratic penalty method is adopted to gain a nonnegative constraint and reduce the illposedness of the problem. Simulation studies show that the presented algorithm is accurate, stable, and fast. It has a better performance than the conventional conjugate gradient-based reconstruction algorithms. It offers an effective approach to reconstruct fluorochrome information for FMT.

  6. Preconditioned Conjugate Gradient methods for low speed flow calculations

    NASA Technical Reports Server (NTRS)

    Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing

    1993-01-01

    An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations are integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and the convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the lower-upper (L-U)-successive symmetric over-relaxation iterative scheme is more efficient than a preconditioner based on incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional line Gauss-Seidel relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.

  7. An adaptive precision gradient method for optimal control.

    NASA Technical Reports Server (NTRS)

    Klessig, R.; Polak, E.

    1973-01-01

    This paper presents a gradient algorithm for unconstrained optimal control problems. The algorithm is stated in terms of numerical integration formulas, the precision of which is controlled adaptively by a test that ensures convergence. Empirical results show that this algorithm is considerably faster than its fixed precision counterpart.-

  8. The proof of sufficient descent condition for a new type of conjugate gradient methods

    NASA Astrophysics Data System (ADS)

    Abashar, Abdelrhaman; Mamat, Mustafa; Rivaie, Mohd; Mohd, Ismail; Omer, Osman

    2014-06-01

    Conjugate gradient methods are effective in solving linear equations and solving non-linear optimization. In this work we compare our new conjugate gradient coefficient βk with classical formula under strong Wolfe line search; our method contains sufficient descent condition. Numerical results have shown that the new βk performs better than classical formula.

  9. A stable, rapidly converging conjugate gradient method for energy minimization

    SciTech Connect

    Watowich, S.J.; Meyer, E.S.; Hagstrom, R.; Josephs, R.

    1989-01-01

    We apply Shanno's conjugate gradient algorithm to the problem of minimizing the potential energy function associated with molecular mechanical calculations. Shanno's algorithm is stable with respect to roundoff errors and inexact line searches and converges rapidly to a minimum. Equally important, this algorithm can improve the rate of convergence to a minimum by a factor of 5 relative to Fletcher-Reeves or Polak-Ribiere minimizers when used within the molecular mechanics package AMBER. Comparable improvements are found for a limited number of simulations when the Polak-Ribiere direction vector is incorporated into the Shanno algorithm. 24 refs., 4 figs., 3 tabs.

  10. Weighted graph based ordering techniques for preconditioned conjugate gradient methods

    NASA Technical Reports Server (NTRS)

    Clift, Simon S.; Tang, Wei-Pai

    1994-01-01

    We describe the basis of a matrix ordering heuristic for improving the incomplete factorization used in preconditioned conjugate gradient techniques applied to anisotropic PDE's. Several new matrix ordering techniques, derived from well-known algorithms in combinatorial graph theory, which attempt to implement this heuristic, are described. These ordering techniques are tested against a number of matrices arising from linear anisotropic PDE's, and compared with other matrix ordering techniques. A variation of RCM is shown to generally improve the quality of incomplete factorization preconditioners.

  11. Gradient index liquid crystal devices and method of fabrication thereof

    DOEpatents

    Lee, Jae-Cheul; Jacobs, Stephen

    1991-01-01

    Laser beam apodizers using cholesteric liquid crystals provides soft edge profile by use of two separate cholesteric liquid crystal mixtures with different selective reflection bands which in an overlap region have a gradient index where reflectivity changes as a function of position. The apodizers can be configured as a one-dimensional beam apod INTRODUCTION The U.S. government has rights in the invention under Contract No. DE-FC03-85DP40200 between the University of Rochester and the Department of Energy.

  12. Gradient index liquid crystal devices and method of fabrication thereof

    DOEpatents

    Lee, J.C.; Jacobs, S.

    1991-10-29

    Laser beam apodizers using cholesteric liquid crystals provides soft edge profile by use of two separate cholesteric liquid crystal mixtures with different selective reflection bands which in an overlap region have a gradient index where reflectivity changes as a function of position. The apodizers can be configured as a one-dimensional beam apod INTRODUCTION The U.S. government has rights in the invention under Contract No. DE-FC03-85DP40200 between the University of Rochester and the Department of Energy.

  13. Systematic interpolation method predicts protein chromatographic elution with salt gradients, pH gradients and combined salt/pH gradients.

    PubMed

    Creasy, Arch; Barker, Gregory; Carta, Giorgio

    2017-03-01

    A methodology is presented to predict protein elution behavior from an ion exchange column using both individual or combined pH and salt gradients based on high-throughput batch isotherm data. The buffer compositions are first optimized to generate linear pH gradients from pH 5.5 to 7 with defined concentrations of sodium chloride. Next, high-throughput batch isotherm data are collected for a monoclonal antibody on the cation exchange resin POROS XS over a range of protein concentrations, salt concentrations, and solution pH. Finally, a previously developed empirical interpolation (EI) method is extended to describe protein binding as a function of the protein and salt concentration and solution pH without using an explicit isotherm model. The interpolated isotherm data are then used with a lumped kinetic model to predict the protein elution behavior. Experimental results obtained for laboratory scale columns show excellent agreement with the predicted elution curves for both individual or combined pH and salt gradients at protein loads up to 45 mg/mL of column. Numerical studies show that the model predictions are robust as long as the isotherm data cover the range of mobile phase compositions where the protein actually elutes from the column.

  14. A three-term conjugate gradient method under the strong-Wolfe line search

    NASA Astrophysics Data System (ADS)

    Khadijah, Wan; Rivaie, Mohd; Mamat, Mustafa

    2017-08-01

    Recently, numerous studies have been concerned in conjugate gradient methods for solving large-scale unconstrained optimization method. In this paper, a three-term conjugate gradient method is proposed for unconstrained optimization which always satisfies sufficient descent direction and namely as Three-Term Rivaie-Mustafa-Ismail-Leong (TTRMIL). Under standard conditions, TTRMIL method is proved to be globally convergent under strong-Wolfe line search. Finally, numerical results are provided for the purpose of comparison.

  15. A new conjugate gradient method with sufficient descent without any line search for unconstrained optimization

    NASA Astrophysics Data System (ADS)

    Omer, Osman; Rivaie, Mohd; Mamat, Mustafa; Amani, Zahrahtul

    2015-02-01

    Conjugate gradient methods are one of the most used methods for solving nonlinear unconstrained optimization problems, especially of large scale. Their wide applications are due to their simplicity and low memory requirement. The sufficient descent property is an important issue in the analyses and implementations of conjugate gradient methods. In this paper, a new conjugate gradient method is proposed for unconstrained optimization problems. The theoretical analysis shows that the directions generated by the new method are always satisfy the sufficient descent property, and this property is independent of the line search used. Furthermore, a numerical experiment based on comparing the new method with other known conjugate gradient methods shows that the new is efficient for some unconstrained optimization problems.

  16. Single fiber lignin distributions based on the density gradient column method

    Treesearch

    Brian Boyer; Alan W. Rudie

    2007-01-01

    The density gradient column method was used to determine the effects of uniform and non-uniform pulping processes on variation in individual fiber lignin concentrations of the resulting pulps. A density gradient column uses solvents of different densities and a mixing process to produce a column of liquid with a smooth transition from higher density at the bottom to...

  17. Gradient-free MCMC methods for dynamic causal modelling

    DOE PAGES

    Sengupta, Biswa; Friston, Karl J.; Penny, Will D.

    2015-03-14

    Here, we compare the performance of four gradient-free MCMC samplers (random walk Metropolis sampling, slice-sampling, adaptive MCMC sampling and population-based MCMC sampling with tempering) in terms of the number of independent samples they can produce per unit computational time. For the Bayesian inversion of a single-node neural mass model, both adaptive and population-based samplers are more efficient compared with random walk Metropolis sampler or slice-sampling; yet adaptive MCMC sampling is more promising in terms of compute time. Slice-sampling yields the highest number of independent samples from the target density -- albeit at almost 1000% increase in computational time, in comparisonmore » to the most efficient algorithm (i.e., the adaptive MCMC sampler).« less

  18. Gradient-free MCMC methods for dynamic causal modelling

    PubMed Central

    Sengupta, Biswa; Friston, Karl J.; Penny, Will D.

    2015-01-01

    In this technical note we compare the performance of four gradient-free MCMC samplers (random walk Metropolis sampling, slice-sampling, adaptive MCMC sampling and population-based MCMC sampling with tempering) in terms of the number of independent samples they can produce per unit computational time. For the Bayesian inversion of a single-node neural mass model, both adaptive and population-based samplers are more efficient compared with random walk Metropolis sampler or slice-sampling; yet adaptive MCMC sampling is more promising in terms of compute time. Slice-sampling yields the highest number of independent samples from the target density — albeit at almost 1000% increase in computational time, in comparison to the most efficient algorithm (i.e., the adaptive MCMC sampler). PMID:25776212

  19. A New Discontinuous Galerkin Method for Convection-Diffusion Problems: The Gradient-Recovery DG Method

    NASA Astrophysics Data System (ADS)

    Johnson, Philip; Johnsen, Eric

    2016-11-01

    The Discontinuous Galerkin (DG) numerical method, while well-suited for hyperbolic PDE systems such as the Euler equations, is not naturally competitive for convection-diffusion systems, such as the Navier-Stokes equations. Where the DG weak form of the Euler equations depends only on the field variables for calculation of numerical fluxes, the traditional form of the Navier-Stokes equations requires calculation of the gradients of field variables for flux calculations. It is this latter task for which the standard DG discretization is ill-suited, and several approaches have been proposed to treat the issue. The most popular strategy for handling diffusion is the "mixed" approach, where the solution gradient is constructed from the primal as an auxiliary. We designed a new mixed approach, called Gradient-Recovery DG; it uses the Recovery concept of Van Leer & Nomura with the mixed approach to produce a scheme with excellent stability, high accuracy, and unambiguous implementation when compared to typical mixed approach concepts. In addition to describing the scheme, we will perform analysis with comparison to other DG approaches for diffusion. Gas dynamics examples will be presented to demonstrate the scheme's capabilities.

  20. Application of the conjugate-gradient method to ground-water models

    USGS Publications Warehouse

    Manteuffel, T.A.; Grove, D.B.; Konikow, L.F.

    1984-01-01

    The conjugate-gradient method can solve efficiently and accurately finite-difference approximations to the ground-water flow equation. An aquifer-simulation model using the conjugate-gradient method was applied to a problem of ground-water flow in an alluvial aquifer at the Rocky Mountain Arsenal, Denver, Colorado. For this application, the accuracy and efficiency of the conjugate-gradient method compared favorably with other available methods for steady-state flow. However, its efficiency relative to other available methods depends on the nature of the specific problem. The main advantage of the conjugate-gradient method is that it does not require the use of iteration parameters, thereby eliminating this partly subjective procedure. (USGS)

  1. A new convergent conjugate gradient method under the exact line search

    NASA Astrophysics Data System (ADS)

    Omer, Osman; Mamat, Mustafa; Rivaie, Mohd

    2015-05-01

    Conjugate gradient methods are widely used for unconstrained optimization problems, especially large scale problems. That is, for its simplicity, low memory requirement, and global convergence properties. In this paper, we study the global convergence properties of a new conjugate gradient method under the exact line search. Under some assumptions, the proofs of the sufficient descent property and the global convergence are given. The numerical results show that our new method is efficient for some unconstrained optimization problems.

  2. 3D full tensor gradient method improves subsalt interpretation

    SciTech Connect

    Coburn, G.W.

    1998-09-14

    Imagine you`re working the deepwater Gulf of Mexico, looking for potential subsalt prospects to guide your company`s bidding in an upcoming lease sale. There are no speculative 3D surveys in the area, just 2D seismic and a few well logs. So you obtain some regional 2D lines across a number of promising salt features and begin your initial structural interpretation. The top of salt is pretty easy to pick. But, not surprisingly, the base is fuzzy in many areas. Large shadow zones wipe out the image, making it difficult to tell how thick the salt may be and whether sediments continue beneath the salt or truncate at the edges. With the limited data you have available, you could pick the base of salt in several different places, all of them reasonable. How do you decide? One option is an expensive reprocessing job. But it would be nice to have another choice--a way to independently test your salt interpretation against high-quality data not derived from seismic. Three-dimensional full tensor gradient (FTG) data can provide such an alternative. This article focuses on an actual test study done on a regional 2D seismic line across the Green Canyon area of the Gulf of Mexico. The purpose of the study was to determine how well 3D FTG data could identify the base of salt, where standard seismic interpretation was ambiguous.

  3. Zonal matrix iterative method for wavefront reconstruction from gradient measurements.

    PubMed

    Panagopoulou, Sophia I; Neal, Daniel R

    2005-01-01

    To present an alternate method to Zemike decomposition (modal) of wavefront reconstruction using iterative implicit solution to the finite difference equations (zonal). Different reconstruction methods, modal and zonal, were compared and the advantages of each method were analyzed. Although the modal or Zemike method allows for quantitative interpretation of some of the aberrations, it is cumbersome for use with fine details and may lead to errors for eyes with keratoconus or other rapidly varying aberration. The zonal method produces a very high-resolution map that can be used for identifying irregular structures. The distinction between the two methods is useful to maintain, and the solution methods are generally different. In practice, both methods are useful and, with modern computers, both zonal and lower-order modal may be calculated rapidly. The difference between the wavefronts derived from the two methods may provide useful insight or interpretation of the infornation.

  4. An improved equivalent magnetization current method applied to the design of local breast gradient coils

    NASA Astrophysics Data System (ADS)

    Lopez, Hector Sanchez; Poole, Michael; Crozier, Stuart

    2009-07-01

    Magnetic resonance imaging (MRI) is an important tool in the diagnosis of breast cancer. Increased gradient strengths and slew rates assist in terms of the potential to image with increased spatial and/or temporal resolution. Strong gradients also facilitate diffusion studies; one well-known method of increasing gradient strength is to design local gradient coils, those with reduced diameter where the gradient conductors are closer to the region of interest. In the case of breast imaging, this necessitates the use of coil geometries that lack the symmetry (e.g. cylindrical) required by some standard coil design techniques. Therefore a symmetry-free, inverse boundary element method (BEM) was employed to design a set of local breast gradient coils which would allow simultaneous imaging of both breasts. This BEM is a modified version of a previously reported equivalent magnetisation current method that now incorporates a piecewise-linear magnetisation rather than piecewise-constant. It is demonstrated that coil geometries more closely encompassing the sample shape, hence possessing wire windings located close the sample, produce superior coil performances. The use of two regions of interest instead one that covers the two samples produces superior high performance breast gradient coils. Additionally, it was demonstrated that this inverse BEM produced standard cylindrical coils with comparable properties and that the method is robust when challenged with difficult coil design problems in two other examples.

  5. A modified micrometeorological gradient method for estimating O3 dry deposition over a forest canopy

    NASA Astrophysics Data System (ADS)

    Wu, Z. Y.; Zhang, L.; Wang, X. M.; Munger, J. W.

    2015-01-01

    Small pollutant concentration gradients between levels above a plant canopy result in large uncertainties in estimated air-surface exchange fluxes when using existing micrometeorological gradient methods, including the aerodynamic gradient method (AGM) and the modified Bowen-Ratio method (MBR). A modified micrometeorological gradient method (MGM) is proposed in this study for estimating O3 dry deposition fluxes over a forest canopy using concentration gradients between a level above and a level below the canopy top, taking advantage of relatively large gradients between these levels due to significant pollutant uptake at top layers of the canopy. The new method is compared with the AGM and MBR methods and is also evaluated using eddy-covariance (EC) flux measurements collected at the Harvard Forest Environmental Measurement Site, Massachusetts during 1993-2000. All the three gradient methods (AGM, MBR and MGM) produced similar diurnal cycles of O3 dry deposition velocity (Vd(O3)) to the EC measurements, with the MGM method being the closest in magnitude to the EC measurements. The multi-year average Vd(O3) differed significantly between these methods, with the AGM, MBR and MGM method being 2.28, 1.45 and 1.18 times of that of the EC. Sensitivity experiments identified several input parameters for the MGM method as first-order parameters that affect the estimated Vd(O3). A 10% uncertainty in the wind speed attenuation coefficient or canopy displacement height can cause about 10% uncertainty in the estimated Vd(O3). An unrealistic leaf area density vertical profile can cause an uncertainty of a factor of 2.0 in the estimated Vd(O3). Other input parameters or formulas for stability functions only caused an uncertainly of a few percent. The new method provides an alternative approach in monitoring/estimating long-term deposition fluxes of similar pollutants over tall canopies.

  6. A modified micrometeorological gradient method for estimating O3 dry depositions over a forest canopy

    NASA Astrophysics Data System (ADS)

    Wu, Z. Y.; Zhang, L.; Wang, X. M.; Munger, J. W.

    2015-07-01

    Small pollutant concentration gradients between levels above a plant canopy result in large uncertainties in estimated air-surface exchange fluxes when using existing micrometeorological gradient methods, including the aerodynamic gradient method (AGM) and the modified Bowen ratio method (MBR). A modified micrometeorological gradient method (MGM) is proposed in this study for estimating O3 dry deposition fluxes over a forest canopy using concentration gradients between a level above and a level below the canopy top, taking advantage of relatively large gradients between these levels due to significant pollutant uptake in the top layers of the canopy. The new method is compared with the AGM and MBR methods and is also evaluated using eddy-covariance (EC) flux measurements collected at the Harvard Forest Environmental Measurement Site, Massachusetts, during 1993-2000. All three gradient methods (AGM, MBR, and MGM) produced similar diurnal cycles of O3 dry deposition velocity (Vd(O3)) to the EC measurements, with the MGM method being the closest in magnitude to the EC measurements. The multi-year average Vd(O3) differed significantly between these methods, with the AGM, MBR, and MGM method being 2.28, 1.45, and 1.18 times that of the EC, respectively. Sensitivity experiments identified several input parameters for the MGM method as first-order parameters that affect the estimated Vd(O3). A 10% uncertainty in the wind speed attenuation coefficient or canopy displacement height can cause about 10% uncertainty in the estimated Vd(O3). An unrealistic leaf area density vertical profile can cause an uncertainty of a factor of 2.0 in the estimated Vd(O3). Other input parameters or formulas for stability functions only caused an uncertainly of a few percent. The new method provides an alternative approach to monitoring/estimating long-term deposition fluxes of similar pollutants over tall canopies.

  7. General implementation of the ERETIC method for pulsed field gradient probe heads.

    PubMed

    Ziarelli, Fabio; Viel, Stéphane; Caldarelli, Stefano; Sobieski, Daniel N; Augustine, Matthew P

    2008-10-01

    A capacitive coupling between a secondary radiofrequency (rf) channel and the gradient coil of a standard commercially available high resolution NMR spectrometer and probe head is described and used to introduce a low level exponentially damped rf signal near the frequency of the primary rf channel to serve as an external concentration standard, in analogy to the so-called ERETIC method. The stability of this inexpensive and simple to implement method, here referred to as the Pulse Into the Gradient (PIG) approach, is superb over a 14-h period and both gradient tailored water suppression and one-dimensional imaging applications are provided. Since the low level signal is introduced via the pulsed field gradient coil, the coupling is identical to that for a free induction signal and thus the method proves to be immune (within 5%) to sample ionic strength effects up to the 2M NaCl solutions explored here.

  8. A new gradient shimming method based on undistorted field map of B0 inhomogeneity.

    PubMed

    Bao, Qingjia; Chen, Fang; Chen, Li; Song, Kan; Liu, Zao; Liu, Chaoyang

    2016-04-01

    Most existing gradient shimming methods for NMR spectrometers estimate field maps that resolve B0 inhomogeneity spatially from dual gradient-echo (GRE) images acquired at different echo times. However, the distortions induced by B0 inhomogeneity that always exists in the GRE images can result in estimated field maps that are distorted in both geometry and intensity, leading to inaccurate shimming. This work proposes a new gradient shimming method based on undistorted field map of B0 inhomogeneity obtained by a more accurate field map estimation technique. Compared to the traditional field map estimation method, this new method exploits both the positive and negative polarities of the frequency encoded gradients to eliminate the distortions caused by B0 inhomogeneity in the field map. Next, the corresponding automatic post-data procedure is introduced to obtain undistorted B0 field map based on knowledge of the invariant characteristics of the B0 inhomogeneity and the variant polarity of the encoded gradient. The experimental results on both simulated and real gradient shimming tests demonstrate the high performance of this new method.

  9. A new conjugate gradient method for unconstrained optimization with sufficient descent

    NASA Astrophysics Data System (ADS)

    Yussoff, Nurul Hajar Mohd; Mamat, Mustafa; Rivaie, Mohd; Mohd, Ismail

    2014-06-01

    Conjugate gradient (CG) methods represent an important computational innovation in solving large-scaled unconstrained optimization problems. There are many different versions of CG methods. Although some methods are equivalent to each other, their performances are quite different. This paper presents a new CG method based on modification of the original CG methods. The important criteria of this new CG method are its global convergence properties. Numerical result shows that this new CG method performs better than the original CG methods.

  10. Methods for Fabricating Gradient Alloy Articles with Multi-Functional Properties

    NASA Technical Reports Server (NTRS)

    Hofmann, Douglas C. (Inventor); Borgonia, John Paul C. (Inventor); Dillon, Robert P. (Inventor); Suh, Eric J. (Inventor); Mulder, Jerry L. (Inventor); Gardner, Paul B. (Inventor)

    2015-01-01

    Systems and methods for fabricating multi-functional articles comprised of additively formed gradient materials are provided. The fabrication of multi-functional articles using the additive deposition of gradient alloys represents a paradigm shift from the traditional way that metal alloys and metal/metal alloy parts are fabricated. Since a gradient alloy that transitions from one metal to a different metal cannot be fabricated through any conventional metallurgy techniques, the technique presents many applications. Moreover, the embodiments described identify a broad range of properties and applications.

  11. Analyzing Longitudinal Magnetoresistance Asymmetry to Quantify Doping Gradients: Generalization of the van der Pauw Method.

    PubMed

    Zhou, Wang; Yoo, H M; Prabhu-Gaunkar, S; Tiemann, L; Reichl, C; Wegscheider, W; Grayson, M

    2015-10-30

    A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients.

  12. Analyzing Longitudinal Magnetoresistance Asymmetry to Quantify Doping Gradients: Generalization of the van der Pauw Method

    NASA Astrophysics Data System (ADS)

    Zhou, Wang; Yoo, H. M.; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.; Grayson, M.

    2015-10-01

    A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients.

  13. A modified form of conjugate gradient method for unconstrained optimization problems

    NASA Astrophysics Data System (ADS)

    Ghani, Nur Hamizah Abdul; Rivaie, Mohd.; Mamat, Mustafa

    2016-06-01

    Conjugate gradient (CG) methods have been recognized as an interesting technique to solve optimization problems, due to the numerical efficiency, simplicity and low memory requirements. In this paper, we propose a new CG method based on the study of Rivaie et al. [7] (Comparative study of conjugate gradient coefficient for unconstrained Optimization, Aus. J. Bas. Appl. Sci. 5(2011) 947-951). Then, we show that our method satisfies sufficient descent condition and converges globally with exact line search. Numerical results show that our proposed method is efficient for given standard test problems, compare to other existing CG methods.

  14. Coherent gradient sensing method and system for measuring surface curvature

    NASA Technical Reports Server (NTRS)

    Rosakis, Ares J. (Inventor); Singh, Ramen P. (Inventor); Kolawa, Elizabeth (Inventor); Moore, Jr., Nicholas R. (Inventor)

    2000-01-01

    A system and method for determining a curvature of a specularly reflective surface based on optical interference. Two optical gratings are used to produce a spatial displacement in an interference field of two different diffraction components produced by one grating from different diffraction components produced by another grating. Thus, the curvature of the surface can be determined.

  15. A Simple Method for MR Gradient System Characterization and k-Space Trajectory Estimation

    PubMed Central

    Addy, Nii Okai; Wu, Holden H.; Nishimura, Dwight G.

    2014-01-01

    Fast imaging trajectories are employed in MRI to speed up the acquisition process, but imperfections in the gradient system create artifacts in the reconstructed images. Artifacts result from the deviation between k-space trajectories achieved on the scanner and their original prescription. Measuring or approximating actual k-space trajectories with predetermined gradient timing delays reduces the artifacts, but are generally based on a specific trajectory and scan orientation. A single linear time-invariant characterization of the gradient system, provides a method to predict k-space trajectories scanned in arbitrary orientations through convolution. This is done effciently, by comparing the the Fourier transforms of the input and measured waveforms of a single high-bandwidth test gradient waveform. This new method is tested for spiral, interleaved echo-planar, and 3D cones imaging, demonstrating its ability to reduce reconstructed image artifacts for various k-space trajectories. PMID:22189904

  16. A finite element conjugate gradient FFT method for scattering

    NASA Technical Reports Server (NTRS)

    Collins, Jeffery D.; Ross, Dan; Jin, J.-M.; Chatterjee, A.; Volakis, John L.

    1991-01-01

    Validated results are presented for the new 3D body of revolution finite element boundary integral code. A Fourier series expansion of the vector electric and mangnetic fields is employed to reduce the dimensionality of the system, and the exact boundary condition is employed to terminate the finite element mesh. The mesh termination boundary is chosen such that is leads to convolutional boundary operatores of low O(n) memory demand. Improvements of this code are discussed along with the proposed formulation for a full 3D implementation of the finite element boundary integral method in conjunction with a conjugate gradiant fast Fourier transformation (CGFFT) solution.

  17. A numerical study of gradient-based nonlinear optimization methods for contrast enhanced optical tomography.

    PubMed

    Roy, R; Sevick-Muraca, E

    2001-07-02

    Numerical performance of two gradient-based methods, a truncated-Newton method with trust region (TN) and a nonlinear conjugate gradient (NCG), is studied and compared for a given data set and conditions specific for the contrast enhanced optical tomography problem. Our results suggest that the relative performance of the two methods depends upon the error functions, specific to the problem to be solved. The TN outperforms the NCG when maps of fluorescence lifetime are reconstructed while both methods performed well when the absorption coefficient constitutes the parameter set that is to be recovered.

  18. A finite element conjugate gradient FFT method for scattering

    NASA Technical Reports Server (NTRS)

    Collins, Jeffery D.; Zapp, John; Hsa, Chang-Yu; Volakis, John L.

    1990-01-01

    An extension of a two dimensional formulation is presented for a three dimensional body of revolution. With the introduction of a Fourier expansion of the vector electric and magnetic fields, a coupled two dimensional system is generated and solved via the finite element method. An exact boundary condition is employed to terminate the mesh and the fast fourier transformation (FFT) is used to evaluate the boundary integrals for low O(n) memory demand when an iterative solution algorithm is used. By virtue of the finite element method, the algorithm is applicable to structures of arbitrary material composition. Several improvements to the two dimensional algorithm are also described. These include: (1) modifications for terminating the mesh at circular boundaries without distorting the convolutionality of the boundary integrals; (2) the development of nonproprietary mesh generation routines for two dimensional applications; (3) the development of preprocessors for interfacing SDRC IDEAS with the main algorithm; and (4) the development of post-processing algorithms based on the public domain package GRAFIC to generate two and three dimensional gray level and color field maps.

  19. Improving the accuracy of the gradient method for determining soil carbon dioxide efflux

    USDA-ARS?s Scientific Manuscript database

    Continuous soil CO2 efflux (Fsoil) estimates can be obtained by the gradient method (GM), but the utility of the method is hindered by uncertainties in the application of published models for the diffusion coefficient (Ds). We compared two in-situ methods for determining Ds, one based calibrating th...

  20. Non-overlapping domain decomposition method for a variational inequality with gradient constraints

    NASA Astrophysics Data System (ADS)

    Lapin, A.; Laitinen, E.; Lapin, S.

    2016-11-01

    Non-overlapping domain decomposition method is applied to a variational inequality with nonlinear diffusion-convection operator and gradient constraints. The method is based on the initial approximation of the problem and its subsequent splitting into subproblems. For the resulting constrained saddle point problem block relaxation-Uzawa iterative solution method is applied.

  1. A new type of descent conjugate gradient method with exact line search

    NASA Astrophysics Data System (ADS)

    Hajar, Nurul; Mamat, Mustafa; Rivaie, Mohd.; Jusoh, Ibrahim

    2016-06-01

    Nowadays, conjugate gradient (CG) methods are impressive for solving nonlinear unconstrained optimization problems. In this paper, a new CG method is proposed and analyzed. This new CG method satisfies descent condition and its global convergence is established using exact line search. Numerical results show that this new CG method substantially outperforms the previous CG methods. This new CG method is considered robust, efficient and provided faster and stable convergence.

  2. Preconditioned conjugate gradient methods for the Navier-Stokes equations

    NASA Technical Reports Server (NTRS)

    Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing

    1994-01-01

    A preconditioned Krylov subspace method (GMRES) is used to solve the linear systems of equations formed at each time-integration step of the unsteady, two-dimensional, compressible Navier-Stokes equations of fluid flow. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux-split formulation. Several preconditioning techniques are investigated to enhance the efficiency and convergence rate of the implicit solver based on the GMRES algorithm. The superiority of the new solver is established by comparisons with a conventional implicit solver, namely line Gauss-Seidel relaxation (LGSR). Computational test results for low-speed (incompressible flow over a backward-facing step at Mach 0.1), transonic flow (trailing edge flow in a transonic turbine cascade), and hypersonic flow (shock-on-shock interactions on a cylindrical leading edge at Mach 6.0) are presented. For the Mach 0.1 case, overall speedup factors of up to 17 (in terms of time-steps) and 15 (in terms of CPU time on a CRAY-YMP/8) are found in favor of the preconditioned GMRES solver, when compared with the LGSR solver. The corresponding speedup factors for the transonic flow case are 17 and 23, respectively. The hypersonic flow case shows slightly lower speedup factors of 9 and 13, respectively. The study of preconditioners conducted in this research reveals that a new LUSGS-type preconditioner is much more efficient than a conventional incomplete LU-type preconditioner.

  3. Gradient plasticity crack tip characterization by means of the extended finite element method

    NASA Astrophysics Data System (ADS)

    Martínez-Pañeda, E.; Natarajan, S.; Bordas, S.

    2017-01-01

    Strain gradient plasticity theories are being widely used for fracture assessment, as they provide a richer description of crack tip fields by incorporating the influence of geometrically necessary dislocations. Characterizing the behavior at the small scales involved in crack tip deformation requires, however, the use of a very refined mesh within microns to the crack. In this work a novel and efficient gradient-enhanced numerical framework is developed by means of the extended finite element method (X-FEM). A mechanism-based gradient plasticity model is employed and the approximation of the displacement field is enriched with the stress singularity of the gradient-dominated solution. Results reveal that the proposed numerical methodology largely outperforms the standard finite element approach. The present work could have important implications on the use of microstructurally-motivated models in large scale applications. The non-linear X-FEM code developed in MATLAB can be downloaded from http://www.empaneda.com/codes.

  4. Gradient plasticity crack tip characterization by means of the extended finite element method

    NASA Astrophysics Data System (ADS)

    Martínez-Pañeda, E.; Natarajan, S.; Bordas, S.

    2017-05-01

    Strain gradient plasticity theories are being widely used for fracture assessment, as they provide a richer description of crack tip fields by incorporating the influence of geometrically necessary dislocations. Characterizing the behavior at the small scales involved in crack tip deformation requires, however, the use of a very refined mesh within microns to the crack. In this work a novel and efficient gradient-enhanced numerical framework is developed by means of the extended finite element method (X-FEM). A mechanism-based gradient plasticity model is employed and the approximation of the displacement field is enriched with the stress singularity of the gradient-dominated solution. Results reveal that the proposed numerical methodology largely outperforms the standard finite element approach. The present work could have important implications on the use of microstructurally-motivated models in large scale applications. The non-linear X-FEM code developed in MATLAB can be downloaded from http://www.empaneda.com/codes.

  5. An M-step preconditioned conjugate gradient method for parallel computation

    NASA Technical Reports Server (NTRS)

    Adams, L.

    1983-01-01

    This paper describes a preconditioned conjugate gradient method that can be effectively implemented on both vector machines and parallel arrays to solve sparse symmetric and positive definite systems of linear equations. The implementation on the CYBER 203/205 and on the Finite Element Machine is discussed and results obtained using the method on these machines are given.

  6. Convergence analysis of a two-point gradient method for nonlinear ill-posed problems

    NASA Astrophysics Data System (ADS)

    Hubmer, Simon; Ramlau, Ronny

    2017-09-01

    We perform a convergence analysis of a two-point gradient method which is based on Landweber iteration and on Nesterov’s acceleration scheme. Additionally, we show the usefulness of this method via two numerical example problems based on a nonlinear Hammerstein operator and on the nonlinear inverse problem of single photon emission computed tomography.

  7. Optimization with artificial neural network systems - A mapping principle and a comparison to gradient based methods

    NASA Technical Reports Server (NTRS)

    Leong, Harrison Monfook

    1988-01-01

    General formulae for mapping optimization problems into systems of ordinary differential equations associated with artificial neural networks are presented. A comparison is made to optimization using gradient-search methods. The performance measure is the settling time from an initial state to a target state. A simple analytical example illustrates a situation where dynamical systems representing artificial neural network methods would settle faster than those representing gradient-search. Settling time was investigated for a more complicated optimization problem using computer simulations. The problem was a simplified version of a problem in medical imaging: determining loci of cerebral activity from electromagnetic measurements at the scalp. The simulations showed that gradient based systems typically settled 50 to 100 times faster than systems based on current neural network optimization methods.

  8. Optimization with artificial neural network systems - A mapping principle and a comparison to gradient based methods

    NASA Technical Reports Server (NTRS)

    Leong, Harrison Monfook

    1988-01-01

    General formulae for mapping optimization problems into systems of ordinary differential equations associated with artificial neural networks are presented. A comparison is made to optimization using gradient-search methods. The performance measure is the settling time from an initial state to a target state. A simple analytical example illustrates a situation where dynamical systems representing artificial neural network methods would settle faster than those representing gradient-search. Settling time was investigated for a more complicated optimization problem using computer simulations. The problem was a simplified version of a problem in medical imaging: determining loci of cerebral activity from electromagnetic measurements at the scalp. The simulations showed that gradient based systems typically settled 50 to 100 times faster than systems based on current neural network optimization methods.

  9. Fast recognition method for metallic topographies by the three-color selective stereo gradient method

    NASA Astrophysics Data System (ADS)

    Hossfeld, Michael; Chu, Weiyi; Eich, Manfred; Adameck, Markus

    2006-02-01

    A machine-vision system for real-time classification of moving objects with highly reflective metallic surfaces and complex 3D-structures is presented. As an application example of our Three-Color Selective Stereo Gradient Method (Three-Color SSGM) a classification system for the three main coin denominations of Euro coins is presented. The coins are quickly moving in a coin validation system. The objective is to decide only from comparison of measured 3D-surface properties with characteristic topographical data stored in a database whether a coin belongs to one of the reference classes or not. Under illumination of a three-color LED-ring a single image of the moving coin is captured by a CCD-camera. Exploiting the spectral properties of the illumination sources, which correspond to the special spectral characteristics of the camera, three independent subimages can be extracted from the first. Comparison between these subimages leads to a discrimination between a coin with real 3D-surface and a photographic image of a coin of the same type. After the coin has been located and segmented, grey value based rotation and translation invariant features are extracted from a normalized image. In combination with template matching methods, a coin can be classified. Statistical classification results will be reported.

  10. The Evaluation of Islet Purification Methods That Use Large Bottles to Create a Continuous Density Gradient

    PubMed Central

    Miyagi-Shiohira, Chika; Kobayashi, Naoya; Saitoh, Issei; Watanabe, Masami; Noguchi, Yasufumi; Matsushita, Masayuki; Noguchi, Hirofumi

    2017-01-01

    Islet purification is one of the most important steps of islet isolation for pancreatic islet transplantation. The most common method of islet purification is density gradient centrifugation using a COBE 2991 cell processor. However, this method can damage islets mechanically through its high shearing force. We recently reported that a new purification method using large plastic bottles effectively achieves a high yield of islets from the porcine pancreas. In the present study, we evaluated the methods of making a continuous density gradient. The gradient was produced with a gradient maker and two types of candy cane-shaped stainless steel pipes. One method was to use a “bent-tipped” stainless steel pipe and to load from a high-density solution to a low-density solution, uploading the stainless steel pipe. The other method was to use a regular stainless steel pipe and to load from a low-density solution to a high-density solution, leaving the stainless steel pipe in place. There were no significant differences between the two solutions in terms of the islet yield, rate of viability or purity, score, or the stimulation index after purification. Furthermore, there were no differences in the attainability or suitability of posttransplantation normoglycemia. Our study shows the equivalency of these two methods of islet purification. PMID:28174674

  11. Steepest descent with momentum for quadratic functions is a version of the conjugate gradient method.

    PubMed

    Bhaya, Amit; Kaszkurewicz, Eugenius

    2004-01-01

    It is pointed out that the so called momentum method, much used in the neural network literature as an acceleration of the backpropagation method, is a stationary version of the conjugate gradient method. Connections with the continuous optimization method known as heavy ball with friction are also made. In both cases, adaptive (dynamic) choices of the so called learning rate and momentum parameters are obtained using a control Liapunov function analysis of the system.

  12. Surface Profile and Stress Field Evaluation using Digital Gradient Sensing Method

    SciTech Connect

    Miao, C.; Sundaram, B. M.; Huang, L.; Tippur, H. V.

    2016-08-09

    Shape and surface topography evaluation from measured orthogonal slope/gradient data is of considerable engineering significance since many full-field optical sensors and interferometers readily output accurate data of that kind. This has applications ranging from metrology of optical and electronic elements (lenses, silicon wafers, thin film coatings), surface profile estimation, wave front and shape reconstruction, to name a few. In this context, a new methodology for surface profile and stress field determination based on a recently introduced non-contact, full-field optical method called digital gradient sensing (DGS) capable of measuring small angular deflections of light rays coupled with a robust finite-difference-based least-squares integration (HFLI) scheme in the Southwell configuration is advanced here. The method is demonstrated by evaluating (a) surface profiles of mechanically warped silicon wafers and (b) stress gradients near growing cracks in planar phase objects.

  13. Gradient Calculation Methods on Arbitrary Polyhedral Unstructured Meshes for Cell-Centered CFD Solvers

    NASA Technical Reports Server (NTRS)

    Sozer, Emre; Brehm, Christoph; Kiris, Cetin C.

    2014-01-01

    A survey of gradient reconstruction methods for cell-centered data on unstructured meshes is conducted within the scope of accuracy assessment. Formal order of accuracy, as well as error magnitudes for each of the studied methods, are evaluated on a complex mesh of various cell types through consecutive local scaling of an analytical test function. The tests highlighted several gradient operator choices that can consistently achieve 1st order accuracy regardless of cell type and shape. The tests further offered error comparisons for given cell types, leading to the observation that the "ideal" gradient operator choice is not universal. Practical implications of the results are explored via CFD solutions of a 2D inviscid standing vortex, portraying the discretization error properties. A relatively naive, yet largely unexplored, approach of local curvilinear stencil transformation exhibited surprisingly favorable properties

  14. Communication: Analytic gradients for the complex absorbing potential equation-of-motion coupled-cluster method

    NASA Astrophysics Data System (ADS)

    Benda, Zsuzsanna; Jagau, Thomas-C.

    2017-01-01

    The general theory of analytic energy gradients is presented for the complex absorbing potential equation-of-motion coupled-cluster (CAP-EOM-CC) method together with an implementation within the singles and doubles approximation. Expressions for the CAP-EOM-CC energy gradient are derived based on a Lagrangian formalism with a special focus on the extra terms arising from the presence of the CAP. Our implementation allows for locating minima on high-dimensional complex-valued potential energy surfaces and thus enables geometry optimizations of resonance states of polyatomic molecules. The applicability of our CAP-EOM-CC gradients is illustrated by computations of the equilibrium structures and adiabatic electron affinities of the temporary anions of formaldehyde, formic acid, and ethylene. The results are compared to those obtained from standard EOM-CC calculations and the advantages of CAP methods are emphasized.

  15. Generalization of the van der Pauw Method: Analyzing Longitudinal Magnetoresistance Asymmetry to Quantify Doping Gradients

    NASA Astrophysics Data System (ADS)

    Grayson, M.; Zhou, Wang; Yoo, Heun-Mo; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.

    A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. Results will be shown of various semoconductor systems where this method is applied, from bulk doped semiconductors, to exfoliated 2D materials. McCormick Catalyst Award from Northwestern University, EECS Bridge Funding, and AFOSR FA9550-15-1-0247.

  16. Surface profile and stress field evaluation using digital gradient sensing method

    NASA Astrophysics Data System (ADS)

    Miao, C.; Sundaram, B. M.; Huang, L.; Tippur, H. V.

    2016-09-01

    Shape and surface topography evaluation from measured orthogonal slope/gradient data is of considerable engineering significance since many full-field optical sensors and interferometers readily output such a data accurately. This has applications ranging from metrology of optical and electronic elements (lenses, silicon wafers, thin film coatings), surface profile estimation, wave front and shape reconstruction, to name a few. In this context, a new methodology for surface profile and stress field determination based on a recently introduced non-contact, full-field optical method called digital gradient sensing (DGS) capable of measuring small angular deflections of light rays coupled with a robust finite-difference-based least-squares integration (HFLI) scheme in the Southwell configuration is advanced here. The method is demonstrated by evaluating (a) surface profiles of mechanically warped silicon wafers and (b) stress gradients near growing cracks in planar phase objects.

  17. Numerical methods for the design of gradient-index optical coatings.

    PubMed

    Anzengruber, Stephan W; Klann, Esther; Ramlau, Ronny; Tonova, Diana

    2012-12-01

    We formulate the problem of designing gradient-index optical coatings as the task of solving a system of operator equations. We use iterative numerical procedures known from the theory of inverse problems to solve it with respect to the coating refractive index profile and thickness. The mathematical derivations necessary for the application of the procedures are presented, and different numerical methods (Landweber, Newton, and Gauss-Newton methods, Tikhonov minimization with surrogate functionals) are implemented. Procedures for the transformation of the gradient coating designs into quasi-gradient ones (i.e., multilayer stacks of homogeneous layers with different refractive indices) are also developed. The design algorithms work with physically available coating materials that could be produced with the modern coating technologies.

  18. Surface Profile and Stress Field Evaluation using Digital Gradient Sensing Method

    DOE PAGES

    Miao, C.; Sundaram, B. M.; Huang, L.; ...

    2016-08-09

    Shape and surface topography evaluation from measured orthogonal slope/gradient data is of considerable engineering significance since many full-field optical sensors and interferometers readily output accurate data of that kind. This has applications ranging from metrology of optical and electronic elements (lenses, silicon wafers, thin film coatings), surface profile estimation, wave front and shape reconstruction, to name a few. In this context, a new methodology for surface profile and stress field determination based on a recently introduced non-contact, full-field optical method called digital gradient sensing (DGS) capable of measuring small angular deflections of light rays coupled with a robust finite-difference-based least-squaresmore » integration (HFLI) scheme in the Southwell configuration is advanced here. The method is demonstrated by evaluating (a) surface profiles of mechanically warped silicon wafers and (b) stress gradients near growing cracks in planar phase objects.« less

  19. Surface Profile and Stress Field Evaluation using Digital Gradient Sensing Method

    SciTech Connect

    Miao, C.; Sundaram, B. M.; Huang, L.; Tippur, H. V.

    2016-08-09

    Shape and surface topography evaluation from measured orthogonal slope/gradient data is of considerable engineering significance since many full-field optical sensors and interferometers readily output accurate data of that kind. This has applications ranging from metrology of optical and electronic elements (lenses, silicon wafers, thin film coatings), surface profile estimation, wave front and shape reconstruction, to name a few. In this context, a new methodology for surface profile and stress field determination based on a recently introduced non-contact, full-field optical method called digital gradient sensing (DGS) capable of measuring small angular deflections of light rays coupled with a robust finite-difference-based least-squares integration (HFLI) scheme in the Southwell configuration is advanced here. The method is demonstrated by evaluating (a) surface profiles of mechanically warped silicon wafers and (b) stress gradients near growing cracks in planar phase objects.

  20. Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices

    NASA Technical Reports Server (NTRS)

    Freund, Roland

    1989-01-01

    We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.

  1. New hybrid conjugate gradient methods with the generalized Wolfe line search.

    PubMed

    Xu, Xiao; Kong, Fan-Yu

    2016-01-01

    The conjugate gradient method was an efficient technique for solving the unconstrained optimization problem. In this paper, we made a linear combination with parameters β k of the DY method and the HS method, and putted forward the hybrid method of DY and HS. We also proposed the hybrid of FR and PRP by the same mean. Additionally, to present the two hybrid methods, we promoted the Wolfe line search respectively to compute the step size α k of the two hybrid methods. With the new Wolfe line search, the two hybrid methods had descent property and global convergence property of the two hybrid methods that can also be proved.

  2. Shape optimization of the turbomachine channel by a gradient method — Accuracy improvement

    NASA Astrophysics Data System (ADS)

    Rabiega, Marek

    2003-08-01

    An algorithm of the gradient method of the channel shape optimization has been built on the basis of 3D equations of mass, momentum and energy conservation in the fluid flow. The gradient of the functional that is posed for minimization has been calculated by two methods, via sensitivities and - for comparison - by the finite difference approximation. The equations for sensitivities have been generated through a differentiate-then-discretize approach. The exemplary optimization of the blade shape of the centrifugal compressor wheel has been carried out for the inviscid gas flow governed by Euler equations with a non-uniform mass flow distribution as the inlet boundary condition. Mixing losses have been minimized downstream the outlet of the centrifugal wheel in this exemplary optimization. The results of the optimization problem accomplished by the two above-mentioned methods have been presented. In the case sparse grids have been used, the method with the gradient approximated by finite differences has been found to be more consistent. The discretization accuracy has turned out to be crucial for the consistency of the gradient method via sensitivities.

  3. Development, evaluation and application of a modified micrometeorological gradient method for long-term estimation of gaseous dry deposition over forest canopies

    EPA Science Inventory

    Small pollutant concentration gradients between levels above a plant canopy result in large uncertainties in estimated air–surface exchange fluxes when using existing micrometeorological gradient methods, including the aerodynamic gradient method (AGM) and the modified Bowe...

  4. Bounded perturbation resilience and superiorization techniques for the projected scaled gradient method

    NASA Astrophysics Data System (ADS)

    Xu, Hong-Kun

    2017-04-01

    Bounded perturbation resilience and superiorization techniques for the projected scaled gradient (PSG) method are studied under the general Hilbert space setting. Weak convergence results of the (superiorized) PSG method and its relaxed version are proved under the assumption that the errors be summable. It is also shown that the PSG method converges in a sublinear rate and can be accelerated to the convergence rate O≤ft(\\tfrac{1}{{n}2}\\right). Applications to linear inverse problems and split feasibility problems are discussed.

  5. A conjugate gradient method with descent properties under strong Wolfe line search

    NASA Astrophysics Data System (ADS)

    Zull, N.; ‘Aini, N.; Shoid, S.; Ghani, N. H. A.; Mohamed, N. S.; Rivaie, M.; Mamat, M.

    2017-09-01

    The conjugate gradient (CG) method is one of the optimization methods that are often used in practical applications. The continuous and numerous studies conducted on the CG method have led to vast improvements in its convergence properties and efficiency. In this paper, a new CG method possessing the sufficient descent and global convergence properties is proposed. The efficiency of the new CG algorithm relative to the existing CG methods is evaluated by testing them all on a set of test functions using MATLAB. The tests are measured in terms of iteration numbers and CPU time under strong Wolfe line search. Overall, this new method performs efficiently and comparable to the other famous methods.

  6. A spectral KRMI conjugate gradient method under the strong-Wolfe line search

    NASA Astrophysics Data System (ADS)

    Khadijah, Wan; Rivaie, Mohd.; Mamat, Mustafa; Jusoh, Ibrahim

    2016-06-01

    In this paper, a modification of spectral conjugate gradient (CG) method is proposed which combines the advantages of the spectral CG method and the RMIL method namely as spectral Khadijah-Rivaie-Mustafa-Ibrahim (SKRMI) to solve unconstrained optimization problems. Based on inexact line searches, the objective function generates a sufficient descent direction and the global convergence property for the proposed method has been proved. Moreover, the method reduces to the standard RMIL method if exact line search is applied. Numerical results are also presented to examine the efficiency of the proposed method.

  7. An Introduction to the Conjugate Gradient Method that Even an Idiot Can Understand

    DTIC Science & Technology

    1994-03-07

    and Jorge Nocedal , Global convergence properties of conjugate gradient methods for optimization, SIAM Journal of Optimization 2 (1992), no. 1, 21-42...line searches was analyzed by Daniel [3]. The choice of t3 for nonlinear CG is discussed by Gilbert and Nocedal [81.. A history and extensive

  8. Improving the accuracy of the discrete gradient method in the one-dimensional case.

    PubMed

    Cieśliński, Jan L; Ratkiewicz, Bogusław

    2010-01-01

    We present two numerical schemes of high accuracy for one-dimensional dynamical systems. They are modifications of the discrete gradient method and keep its advantages, including stability and conservation of the energy integral. However, their accuracy is higher by several orders of magnitude.

  9. Maximum Power Point Tracking with Dichotomy and Gradient Method for Automobile Exhaust Thermoelectric Generators

    NASA Astrophysics Data System (ADS)

    Fang, W.; Quan, S. H.; Xie, C. J.; Tang, X. F.; Wang, L. L.; Huang, L.

    2016-03-01

    In this study, a direct-current/direct-current (DC/DC) converter with maximum power point tracking (MPPT) is developed to down-convert the high voltage DC output from a thermoelectric generator to the lower voltage required to charge batteries. To improve the tracking accuracy and speed of the converter, a novel MPPT control scheme characterized by an aggregated dichotomy and gradient (ADG) method is proposed. In the first stage, the dichotomy algorithm is used as a fast search method to find the approximate region of the maximum power point. The gradient method is then applied for rapid and accurate tracking of the maximum power point. To validate the proposed MPPT method, a test bench composed of an automobile exhaust thermoelectric generator was constructed for harvesting the automotive exhaust heat energy. Steady-state and transient tracking experiments under five different load conditions were carried out using a DC/DC converter with the proposed ADG and with three traditional methods. The experimental results show that the ADG method can track the maximum power within 140 ms with a 1.1% error rate when the engine operates at 3300 rpm@71 NM, which is superior to the performance of the single dichotomy method, the single gradient method and the perturbation and observation method from the viewpoint of improved tracking accuracy and speed.

  10. SAGRAD: A Program for Neural Network Training with Simulated Annealing and the Conjugate Gradient Method

    PubMed Central

    Bernal, Javier; Torres-Jimenez, Jose

    2015-01-01

    SAGRAD (Simulated Annealing GRADient), a Fortran 77 program for computing neural networks for classification using batch learning, is discussed. Neural network training in SAGRAD is based on a combination of simulated annealing and Møller’s scaled conjugate gradient algorithm, the latter a variation of the traditional conjugate gradient method, better suited for the nonquadratic nature of neural networks. Different aspects of the implementation of the training process in SAGRAD are discussed, such as the efficient computation of gradients and multiplication of vectors by Hessian matrices that are required by Møller’s algorithm; the (re)initialization of weights with simulated annealing required to (re)start Møller’s algorithm the first time and each time thereafter that it shows insufficient progress in reaching a possibly local minimum; and the use of simulated annealing when Møller’s algorithm, after possibly making considerable progress, becomes stuck at a local minimum or flat area of weight space. Outlines of the scaled conjugate gradient algorithm, the simulated annealing procedure and the training process used in SAGRAD are presented together with results from running SAGRAD on two examples of training data. PMID:26958442

  11. Modified2 gradient method and modified Born method for solving a two-dimensional inverse scattering problem

    NASA Astrophysics Data System (ADS)

    Belkebir, Kamal; Tijhuis, Anton G.

    2001-12-01

    This paper concerns the reconstruction of the complex relative permittivity of an inhomogeneous object from the measured scattered field. The parameter of interest is retrieved using iterative techniques. Four methods are considered, in which the permittivity is updated along the standard Polak-Ribière conjugate gradient directions of a cost functional. The difference lies in the update direction for the field, and the determination of the expansion coefficients. In the modified gradient method, the search direction is the conjugate gradient direction for the field, and the expansion coefficients for field and profile are determined simultaneously. In the Born method (BM) the field is considered as the fixed solution of the forward problem with the available estimate of the unknown permittivity, and only the profile coefficients are determined from the cost function. In the modified Born method, we use the same field direction as in the BM, but determine the coefficients for field and profile simultaneously. In the modified2 gradient method, we use both field directions, and again update all coefficients simultaneously. Examples of the reconstruction of either metal or dielectric cylinders from experimental data are presented and the methods are compared for a range of frequencies.

  12. A new Liu-Storey type nonlinear conjugate gradient method for unconstrained optimization problems

    NASA Astrophysics Data System (ADS)

    Zhang, Li

    2009-03-01

    Although the Liu-Storey (LS) nonlinear conjugate gradient method has a similar structure as the well-known Polak-Ribière-Polyak (PRP) and Hestenes-Stiefel (HS) methods, research about this method is very rare. In this paper, based on the memoryless BFGS quasi-Newton method, we propose a new LS type method, which converges globally for general functions with the Grippo-Lucidi line search. Moreover, we modify this new LS method such that the modified scheme is globally convergent for nonconvex minimization if the strong Wolfe line search is used. Numerical results are also reported.

  13. A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

    SciTech Connect

    Wang, Hanquan

    2014-10-01

    In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.

  14. Automatic Classification of Staphylococci by Principal-Component Analysis and a Gradient Method1

    PubMed Central

    Hill, L. R.; Silvestri, L. G.; Ihm, P.; Farchi, G.; Lanciani, P.

    1965-01-01

    Hill, L. R. (Università Statale, Milano, Italy), L. G. Silvestri, P. Ihm, G. Farchi, and P. Lanciani. Automatic classification of staphylococci by principal-component analysis and a gradient method. J. Bacteriol. 89:1393–1401. 1965.—Forty-nine strains from the species Staphylococcus aureus, S. saprophyticus, S. lactis, S. afermentans, and S. roseus were submitted to different taxometric analyses; clustering was performed by single linkage, by the unweighted pair group method, and by principal-component analysis followed by a gradient method. Results were substantially the same with all methods. All S. aureus clustered together, sharply separated from S. roseus and S. afermentans; S. lactis and S. saprophyticus fell between, with the latter nearer to S. aureus. The main purpose of this study was to introduce a new taxometric technique, based on principal-component analysis followed by a gradient method, and to compare it with some other methods in current use. Advantages of the new method are complete automation and therefore greater objectivity, execution of the clustering in a space of reduced dimensions in which different characters have different weights, easy recognition of taxonomically important characters, and opportunity for representing clusters in three-dimensional models; the principal disadvantage is the need for large computer facilities. Images PMID:14293013

  15. Limited-memory fast gradient descent method for graph regularized nonnegative matrix factorization.

    PubMed

    Guan, Naiyang; Wei, Lei; Luo, Zhigang; Tao, Dacheng

    2013-01-01

    Graph regularized nonnegative matrix factorization (GNMF) decomposes a nonnegative data matrix X[Symbol:see text]R(m x n) to the product of two lower-rank nonnegative factor matrices, i.e.,W[Symbol:see text]R(m x r) and H[Symbol:see text]R(r x n) (r < min {m,n}) and aims to preserve the local geometric structure of the dataset by minimizing squared Euclidean distance or Kullback-Leibler (KL) divergence between X and WH. The multiplicative update rule (MUR) is usually applied to optimize GNMF, but it suffers from the drawback of slow-convergence because it intrinsically advances one step along the rescaled negative gradient direction with a non-optimal step size. Recently, a multiple step-sizes fast gradient descent (MFGD) method has been proposed for optimizing NMF which accelerates MUR by searching the optimal step-size along the rescaled negative gradient direction with Newton's method. However, the computational cost of MFGD is high because 1) the high-dimensional Hessian matrix is dense and costs too much memory; and 2) the Hessian inverse operator and its multiplication with gradient cost too much time. To overcome these deficiencies of MFGD, we propose an efficient limited-memory FGD (L-FGD) method for optimizing GNMF. In particular, we apply the limited-memory BFGS (L-BFGS) method to directly approximate the multiplication of the inverse Hessian and the gradient for searching the optimal step size in MFGD. The preliminary results on real-world datasets show that L-FGD is more efficient than both MFGD and MUR. To evaluate the effectiveness of L-FGD, we validate its clustering performance for optimizing KL-divergence based GNMF on two popular face image datasets including ORL and PIE and two text corpora including Reuters and TDT2. The experimental results confirm the effectiveness of L-FGD by comparing it with the representative GNMF solvers.

  16. Limited-Memory Fast Gradient Descent Method for Graph Regularized Nonnegative Matrix Factorization

    PubMed Central

    Guan, Naiyang; Wei, Lei; Luo, Zhigang; Tao, Dacheng

    2013-01-01

    Graph regularized nonnegative matrix factorization (GNMF) decomposes a nonnegative data matrix to the product of two lower-rank nonnegative factor matrices, i.e., and () and aims to preserve the local geometric structure of the dataset by minimizing squared Euclidean distance or Kullback-Leibler (KL) divergence between X and WH. The multiplicative update rule (MUR) is usually applied to optimize GNMF, but it suffers from the drawback of slow-convergence because it intrinsically advances one step along the rescaled negative gradient direction with a non-optimal step size. Recently, a multiple step-sizes fast gradient descent (MFGD) method has been proposed for optimizing NMF which accelerates MUR by searching the optimal step-size along the rescaled negative gradient direction with Newton's method. However, the computational cost of MFGD is high because 1) the high-dimensional Hessian matrix is dense and costs too much memory; and 2) the Hessian inverse operator and its multiplication with gradient cost too much time. To overcome these deficiencies of MFGD, we propose an efficient limited-memory FGD (L-FGD) method for optimizing GNMF. In particular, we apply the limited-memory BFGS (L-BFGS) method to directly approximate the multiplication of the inverse Hessian and the gradient for searching the optimal step size in MFGD. The preliminary results on real-world datasets show that L-FGD is more efficient than both MFGD and MUR. To evaluate the effectiveness of L-FGD, we validate its clustering performance for optimizing KL-divergence based GNMF on two popular face image datasets including ORL and PIE and two text corpora including Reuters and TDT2. The experimental results confirm the effectiveness of L-FGD by comparing it with the representative GNMF solvers. PMID:24204761

  17. Aeromagnetic gradient compensation method for helicopter based on ɛ-support vector regression algorithm

    NASA Astrophysics Data System (ADS)

    Wu, Peilin; Zhang, Qunying; Fei, Chunjiao; Fang, Guangyou

    2017-04-01

    Aeromagnetic gradients are typically measured by optically pumped magnetometers mounted on an aircraft. Any aircraft, particularly helicopters, produces significant levels of magnetic interference. Therefore, aeromagnetic compensation is essential, and least square (LS) is the conventional method used for reducing interference levels. However, the LSs approach to solving the aeromagnetic interference model has a few difficulties, one of which is in handling multicollinearity. Therefore, we propose an aeromagnetic gradient compensation method, specifically targeted for helicopter use but applicable on any airborne platform, which is based on the ɛ-support vector regression algorithm. The structural risk minimization criterion intrinsic to the method avoids multicollinearity altogether. Local aeromagnetic anomalies can be retained, and platform-generated fields are suppressed simultaneously by constructing an appropriate loss function and kernel function. The method was tested using an unmanned helicopter and obtained improvement ratios of 12.7 and 3.5 in the vertical and horizontal gradient data, respectively. Both of these values are probably better than those that would have been obtained from the conventional method applied to the same data, had it been possible to do so in a suitable comparative context. The validity of the proposed method is demonstrated by the experimental result.

  18. The combined use of the Newton-Raphson method and the conjugate gradient method for solving elastoplastic problems

    NASA Astrophysics Data System (ADS)

    Movchan, A. A.; Brodskij, S. I.

    The paper is concerned with the elastic-plastic analysis of an axisymmetric bimetal joint under loading. A system of nonlinear equations describing this elastic-plastic problem are solved by using a modified version of the Newton-Raphson method. To increase the computational efficiency, a procedure is proposed whereby the Newton-Raphson method is combined with a version of the conjugate gradient method.

  19. Biconjugate gradient stabilized method in image deconvolution of a wavefront coding system

    NASA Astrophysics Data System (ADS)

    Liu, Peng; Liu, Qin-xiao; Zhao, Ting-yu; Chen, Yan-ping; Yu, Fei-hong

    2013-04-01

    The point spread function (PSF) is a non-rotational symmetric for the wavefront coding (WFC) system with a cubic phase mask (CPM). Antireflective boundary conditions (BCs) are used to eliminate the ringing effect on the border and vibration on the edge of the image. The Kronecker product approximation is used to reduce the computation consumption. The image-formation process of the WFC system is transformed into a matrix equation. In order to save storage space, biconjugate gradient (Bi-CG) and biconjugate gradient stabilized (Bi-CGSTAB) methods are used to solve the asymmetric matrix equation, which is a typical iteration algorithm of the Krylov subspace using the two-side Lanczos process. Simulation and experimental results illustrate the efficiency of the proposed algorithm for the image deconvolution. The result based on the Bi-CGSTAB method is smoother than the classic Wiener filter, while preserving more details than the Truncated Singular Value Decomposition (TSVD) method.

  20. A Modified Magnetic Gradient Contraction Based Method for Ferromagnetic Target Localization

    PubMed Central

    Wang, Chen; Zhang, Xiaojuan; Qu, Xiaodong; Pan, Xiao; Fang, Guangyou; Chen, Luzhao

    2016-01-01

    The Scalar Triangulation and Ranging (STAR) method, which is based upon the unique properties of magnetic gradient contraction, is a high real-time ferromagnetic target localization method. Only one measurement point is required in the STAR method and it is not sensitive to changes in sensing platform orientation. However, the localization accuracy of the method is limited by the asphericity errors and the inaccurate value of position leads to larger errors in the estimation of magnetic moment. To improve the localization accuracy, a modified STAR method is proposed. In the proposed method, the asphericity errors of the traditional STAR method are compensated with an iterative algorithm. The proposed method has a fast convergence rate which meets the requirement of high real-time localization. Simulations and field experiments have been done to evaluate the performance of the proposed method. The results indicate that target parameters estimated by the modified STAR method are more accurate than the traditional STAR method. PMID:27999322

  1. Utilization of nuclear methods for materials analysis and the determination of concentration gradients

    NASA Technical Reports Server (NTRS)

    Darras, R.

    1979-01-01

    The various types of nuclear chemical analysis methods are discussed. The possibilities of analysis through activation and direct observation of nuclear reactions are described. Such methods make it possible to analyze trace elements and impurities with selectivity, accuracy, and a high degree of sensitivity. Such methods are used in measuring major elements present in materials which are available for analysis only in small quantities. These methods are well suited to superficial analyses and to determination of concentration gradients; provided the nature and energy of the incident particles are chosen judiciously. Typical examples of steels, pure iron and refractory metals are illustrated.

  2. ANDUCT- VELOCITY GRADIENT METHOD FOR CALCULATING VELOCITIES IN AN AXISYMMETRIC ANNULAR DUCT

    NASA Technical Reports Server (NTRS)

    Katsanis, T.

    1994-01-01

    Turbomachinery components are often connected by ducts, which are usually annular. The configurations and aerodynamic characteristics of these ducts are crucial to the optimum performance of the turbomachinery blade rows. The ANDUCT computer program was developed to calculate the velocity distribution along an arbitrary line between the inner and outer walls of an annular duct with axisymmetric swirling flow. Although other programs are available for duct analysis, the use of the velocity gradient method makes the ANDUCT program fast and convenient while requiring only modest computer resources. A fast and easy method of analyzing the flow through a duct with axisymmetric flow is the velocity gradient method, also known as the stream filament or streamline curvature method. This method has been used extensively for blade passages but has not been widely used for ducts, except for the radial equilibrium equation. In ANDUCT, a velocity gradient equation derived from the momentum equation is used to determine the velocity variation along an arbitrary straight line between the inner and outer wall of an annular duct. The velocity gradient equation is used with an assumed variation of meridional streamline curvature. Upstream flow conditions may vary between the inner and outer walls, and an assumed total pressure distribution may be specified. ANDUCT works best for well-guided passages and where the curvature of the walls is small as compared to the width of the passage. The ANDUCT program is written in FORTRAN IV for batch execution and has been implemented on an IBM 370 series computer with a central memory requirement of approximately 60K of 8 bit bytes. The ANDUCT program was developed in 1982.

  3. The microstructure evolution of hydrogenated microcrystalline germanium promoted by power gradient method

    NASA Astrophysics Data System (ADS)

    Wang, Xinyu; Ni, Jian; Li, Chang; Sun, Xiaoxiang; Li, Zhenglong; Cai, Hongkun; Li, Juan; Zhang, Jianjun

    2016-12-01

    This paper studies the microstructure evolution of hydrogenated microcrystalline germanium (μc-Ge:H) thin films deposited by plasma enhanced chemical vapor deposition (PECVD). There is an amorphous incubation layer formed in the initial deposition stage of μc-Ge:H thin film. It is demonstrated that the thickness of incubation layer can be reduced by high hydrogen dilution and high discharge power method. However, at high hydrogen dilution, the deposition rate of μc-Ge:H appears a sharply decrease. Using a high discharge power can compensate the deposition rate decrease but lead to decrease of average grain size and appearance of micro-void in the μc-Ge:H thin film. In addition, by comparing two thickness groups of μc-Ge:H thin films deposited at different discharge powers, it is noticed that the evolution process relates to the formation of crystal nucleuses. Thus, a power gradient method is proposed to understand the mechanism of nucleation and crystal growth in the initial deposition process of μc-Ge:H films. Finally, by power gradient method, the incubation layer thickness of μc-Ge:H thin films has been decreased to less than 6 nm. Moreover, Raman scattering spectra shows a 38 nm μc-Ge:H film has a crystal fraction (XC) of 62.4%. Meanwhile, the mobility of TFT devices shows the improved electrical property of μc-Ge:H film deposited by power gradient method.

  4. Representing Matrix Cracks Through Decomposition of the Deformation Gradient Tensor in Continuum Damage Mechanics Methods

    NASA Technical Reports Server (NTRS)

    Leone, Frank A., Jr.

    2015-01-01

    A method is presented to represent the large-deformation kinematics of intraply matrix cracks and delaminations in continuum damage mechanics (CDM) constitutive material models. The method involves the additive decomposition of the deformation gradient tensor into 'crack' and 'bulk material' components. The response of the intact bulk material is represented by a reduced deformation gradient tensor, and the opening of an embedded cohesive interface is represented by a normalized cohesive displacement-jump vector. The rotation of the embedded interface is tracked as the material deforms and as the crack opens. The distribution of the total local deformation between the bulk material and the cohesive interface components is determined by minimizing the difference between the cohesive stress and the bulk material stress projected onto the cohesive interface. The improvements to the accuracy of CDM models that incorporate the presented method over existing approaches are demonstrated for a single element subjected to simple shear deformation and for a finite element model of a unidirectional open-hole tension specimen. The material model is implemented as a VUMAT user subroutine for the Abaqus/Explicit finite element software. The presented deformation gradient decomposition method reduces the artificial load transfer across matrix cracks subjected to large shearing deformations, and avoids the spurious secondary failure modes that often occur in analyses based on conventional progressive damage models.

  5. Gradient methods for variational optimization of projected entangled-pair states

    NASA Astrophysics Data System (ADS)

    Vanderstraeten, Laurens; Haegeman, Jutho; Corboz, Philippe; Verstraete, Frank

    2016-10-01

    We present a conjugate-gradient method for the ground-state optimization of projected entangled-pair states (PEPS) in the thermodynamic limit, as a direct implementation of the variational principle within the PEPS manifold. Our optimization is based on an efficient and accurate evaluation of the gradient of the global energy functional by using effective corner environments, and is robust with respect to the initial starting points. It has the additional advantage that physical and virtual symmetries can be straightforwardly implemented. We provide the tools to compute static structure factors directly in momentum space, as well as the variance of the Hamiltonian. We benchmark our method on Ising and Heisenberg models, and show a significant improvement on the energies and order parameters as compared to algorithms based on imaginary-time evolution.

  6. A family of derivative-free conjugate gradient methods for large-scale nonlinear systems of equations

    NASA Astrophysics Data System (ADS)

    Cheng, Wanyou; Xiao, Yunhai; Hu, Qing-Jie

    2009-02-01

    In this paper, we propose a family of derivative-free conjugate gradient methods for large-scale nonlinear systems of equations. They come from two modified conjugate gradient methods [W.Y. Cheng, A two term PRP based descent Method, Numer. Funct. Anal. Optim. 28 (2007) 1217-1230; L. Zhang, W.J. Zhou, D.H. Li, A descent modified Polak-Ribiére-Polyak conjugate gradient method and its global convergence, IMA J. Numer. Anal. 26 (2006) 629-640] recently proposed for unconstrained optimization problems. Under appropriate conditions, the global convergence of the proposed method is established. Preliminary numerical results show that the proposed method is promising.

  7. Limited-memory scaled gradient projection methods for real-time image deconvolution in microscopy

    NASA Astrophysics Data System (ADS)

    Porta, F.; Zanella, R.; Zanghirati, G.; Zanni, L.

    2015-04-01

    Gradient projection methods have given rise to effective tools for image deconvolution in several relevant areas, such as microscopy, medical imaging and astronomy. Due to the large scale of the optimization problems arising in nowadays imaging applications and to the growing request of real-time reconstructions, an interesting challenge to be faced consists in designing new acceleration techniques for the gradient schemes, able to preserve their simplicity and low computational cost of each iteration. In this work we propose an acceleration strategy for a state-of-the-art scaled gradient projection method for image deconvolution in microscopy. The acceleration idea is derived by adapting a step-length selection rule, recently introduced for limited-memory steepest descent methods in unconstrained optimization, to the special constrained optimization framework arising in image reconstruction. We describe how important issues related to the generalization of the step-length rule to the imaging optimization problem have been faced and we evaluate the improvements due to the acceleration strategy by numerical experiments on large-scale image deconvolution problems.

  8. Solving unconstrained optimization with a new type of conjugate gradient method

    NASA Astrophysics Data System (ADS)

    Shoid, Syazni; Rivaie, Mohd; Mamat, Mustafa; Mohd, Ismail

    2014-06-01

    Conjugate gradient (CG) methods have been widely used as schemes to solve large-scale unconstrained optimization problems. Numerous studies and modifications have been done recently to improve this method. In this paper, we proposed a new type of CG coefficients (βk) by modification of Polak and Ribiere (PR) method. This new βk is shown to possess global convergence properties by using exact line searches. Performance comparisons are made with the four most common βk proposed by the early researches. Numerical results also show that this new βk performed better.

  9. Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

    NASA Astrophysics Data System (ADS)

    Wladyslawski, Mark; Nooijen, Marcel

    The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit

  10. Two dimension magnetotelluric modeling using finite element method, incomplete lu preconditioner and biconjugate gradient stabilized technique

    NASA Astrophysics Data System (ADS)

    Zukir, Muhammad; Srigutomo, Wahyu

    2016-08-01

    Magnetotelluric (MT) method is a passive geophysical exploration technique utilizing natural electromagnetic source to obtain variation of the electric field and magnetic field on the surface of the earth. The frequency range used in this modeling is 10-4 Hz to 102 Hz. The two-dimensional (2D) magnetotelluric modeling is aimed to determine the value of electromagnetic field in the earth, the apparent resistivity, and the impedance phase. The relation between the geometrical and physical parameters used are governed by the Maxwell's equations. These equations are used in the case of Transverse Electric polarization (TE) and Transverse Magnetic polarization (TM). To calculate the solutions of electric and magnetic fields in the entire domain, the modeling domain is discretized into smaller elements using the finite element method, whereas the assembled matrix of equation system is solved using the Biconjugate Gradient Stabilized (BiCGStab) technique combined with the Incomplete Lower - Upper (ILU) preconditioner. This scheme can minimize the iteration process (computational cost) and is more effective than the Biconjugate Gradient (BiCG) technique with LU preconditions and Conjugate Gradient Square (CGS).

  11. [A novel method of chromosome distribution analysis in saccharose density gradient].

    PubMed

    Kuznetsova, A V; Kravatskiĭ, Iu V; Aksenov, A D; Shatrova, A N; Zenin, V V; Poletaev, A I

    2001-01-01

    The human chromosomes distribution in a sucrose density gradient was studied using a new computer method of the quantitative analysis of flow karyotypes. The dual-parameter flow distributions of human chromosomes fluorescence intensities of the sucrose density gradient fractions were analyzed to obtain the quantity of each chromosome. The chromosomes were found to distribute over sucrose density gradient as follows: 1) fractions with low sucrose density mostly contain chromosomes 1-7, and their quantity is increased between 1.4- to 3.2-fold in comparison with the control unfractionated suspension; 2) medium density fractions are enriched with chromosomes 8-20 up to 2.4-fold; 3) fractions with a high sucrose density mostly contain small chromosomes 21-22 and fragments of broken chromosomes. So the new method of quantitative analysis of flow karyotypes allows one to determine the efficiency of enrichment and the maximally enriched fraction for any chosen chromosome. Maximally enriched fractions maximize the rate of preparative flow sorting of individual chromosomes for research or biotechnology purposes.

  12. Fixed and pulsed gradient diffusion methods in low-field core analysis.

    PubMed

    Leu, Gabriela; Fordham, Edmund J; Hürlimann, Martin D; Frulla, Phil

    2005-02-01

    We review diffusion-weighted relaxation protocols for two-dimensional diffusion/relaxation time (D, T(2)) distributions and their application to fluid-saturated sedimentary rocks at low fields typical of oil-well logging tools (< or = 2 MHz for 1H). Fixed field gradient (FFG) protocols may be implemented in logging tools and in the laboratory; there, pulsed field gradient (PFG) protocols are also available. In either category, direct or stimulated echoes may be used for the diffusion evolution periods. We compare the results of several variant FFG and PFG protocols obtained on liquids and two contrasting sedimentary rocks. For liquids and rocks of negligible internal gradients (g(int)), results are comparable, as expected, for all the studied protocols. For rocks of strong g(int), protocol-dependent artifacts are seen in the joint (D, T2) distributions, consistent with the effects of the internal fields. For laboratory petrophysics, the PFG methods offer several advantages: (a) significantly improved signal-to-noise ratio and acquisition times for repetitions over many samples; (b) freedom from heteronuclear contamination when fluorinated liquids are used in core holders; and (c) a palette of variants--one comparable with the FFG--for the study of rocks of significant g(int). Given suitable hardware, both PFG and FFG methods can be implemented in the same bench-top apparatus, providing a versatile test bed for application in a petrophysical laboratory.

  13. Multi-color incomplete Cholesky conjugate gradient methods for vector computers. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Poole, E. L.

    1986-01-01

    In this research, we are concerned with the solution on vector computers of linear systems of equations, Ax = b, where A is a larger, sparse symmetric positive definite matrix. We solve the system using an iterative method, the incomplete Cholesky conjugate gradient method (ICCG). We apply a multi-color strategy to obtain p-color matrices for which a block-oriented ICCG method is implemented on the CYBER 205. (A p-colored matrix is a matrix which can be partitioned into a pXp block matrix where the diagonal blocks are diagonal matrices). This algorithm, which is based on a no-fill strategy, achieves O(N/p) length vector operations in both the decomposition of A and in the forward and back solves necessary at each iteration of the method. We discuss the natural ordering of the unknowns as an ordering that minimizes the number of diagonals in the matrix and define multi-color orderings in terms of disjoint sets of the unknowns. We give necessary and sufficient conditions to determine which multi-color orderings of the unknowns correpond to p-color matrices. A performance model is given which is used both to predict execution time for ICCG methods and also to compare an ICCG method to conjugate gradient without preconditioning or another ICCG method. Results are given from runs on the CYBER 205 at NASA's Langley Research Center for four model problems.

  14. Local a posteriori estimates for pointwise gradient errors in finite element methods for elliptic problems

    NASA Astrophysics Data System (ADS)

    Demlow, Alan

    2007-03-01

    We prove local a posteriori error estimates for pointwise gradient errors in finite element methods for a second-order linear elliptic model problem. First we split the local gradient error into a computable local residual term and a weaker global norm of the finite element error (the ``pollution term''). Using a mesh-dependent weight, the residual term is bounded in a sharply localized fashion. In specific situations the pollution term may also be bounded by computable residual estimators. On nonconvex polygonal and polyhedral domains in two and three space dimensions, we may choose estimators for the pollution term which do not employ specific knowledge of corner singularities and which are valid on domains with cracks. The finite element mesh is only required to be simplicial and shape-regular, so that highly graded and unstructured meshes are allowed.

  15. Computational and mathematical methods for morphogenetic gradient analysis, boundary formation and axonal targeting.

    PubMed

    Reingruber, Jürgen; Holcman, David

    2014-11-01

    Morphogenesis and axonal targeting are key processes during development that depend on complex interactions at molecular, cellular and tissue level. Mathematical modeling is essential to bridge this multi-scale gap in order to understand how the emergence of large structures is controlled at molecular level by interactions between various signaling pathways. We summarize mathematical modeling and computational methods for time evolution and precision of morphogenetic gradient formation. We discuss tissue patterning and the formation of borders between regions labeled by different morphogens. Finally, we review models and algorithms that reveal the interplay between morphogenetic gradients and patterned activity for axonal pathfinding and the generation of the retinotopic map in the visual system. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. A gradient-free adaptation method for nonlinear active noise control

    NASA Astrophysics Data System (ADS)

    Spiriti, Emanuele; Morici, Simone; Piroddi, Luigi

    2014-01-01

    Active Noise Control (ANC) problems are often affected by nonlinear effects, such as saturation and distortion of microphones and loudspeakers. Nonlinear models and specific adaptation algorithms must be employed to properly account for these effects. The nonlinear structure of the problem complicates the application of gradient-based Least Mean Squares (LMS) algorithms, due to the fact that exact gradient calculation requires executing nonlinear recursive filtering operations, which pose computational and stability issues. One favored solution to this problem consists in neglecting recursive terms in the gradient calculation, an approximation which is not always without consequences on the convergence performance. Besides, an efficient application of nonlinear models cannot avoid some form of model structure selection, to avoid the well-known effects of overparametrization and to reduce the computational load on-line. Unfortunately, the standard ANC setting configures an indirect identification problem, due to the presence of the secondary path in the control loop. In the nonlinear case, this destroys the linear regression structure of the problem even if the control filter is linear-in-the-parameters, thereby making it impossible to apply the many existing model selection methods for linear regression problems. A simple and computationally wise low demanding approach is here proposed for parameter estimation and model structure selection that provides an answer to the mentioned issues. The proposed method avoids altogether the use of the error gradient and relies on direct cost function evaluations. A virtualization scheme is used to assess the accuracy improvements when the model is subject to parametric or structural modifications, without directly affecting the control performance. Several simulation examples are discussed to show the effectiveness of the proposed algorithms.

  17. Iterative total least-squares image reconstruction algorithm for optical tomography by the conjugate gradient method.

    PubMed

    Zhu, W; Wang, Y; Yao, Y; Chang, J; Graber, H L; Barbour, R L

    1997-04-01

    We present an iterative total least-squares algorithm for computing images of the interior structure of highly scattering media by using the conjugate gradient method. For imaging the dense scattering media in optical tomography, a perturbation approach has been described previously [Y. Wang et al., Proc. SPIE 1641, 58 (1992); R. L. Barbour et al., in Medical Optical Tomography: Functional Imaging and Monitoring (Society of Photo-Optical Instrumentation Engineers, Bellingham, Wash., 1993), pp. 87-120], which solves a perturbation equation of the form W delta x = delta I. In order to solve this equation, least-squares or regularized least-squares solvers have been used in the past to determine best fits to the measurement data delta I while assuming that the operator matrix W is accurate. In practice, errors also occur in the operator matrix. Here we propose an iterative total least-squares (ITLS) method that minimizes the errors in both weights and detector readings. Theoretically, the total least-squares (TLS) solution is given by the singular vector of the matrix [W/ delta I] associated with the smallest singular value. The proposed ITLS method obtains this solution by using a conjugate gradient method that is particularly suitable for very large matrices. Simulation results have shown that the TLS method can yield a significantly more accurate result than the least-squares method.

  18. Reconstruction of fluorescence molecular tomography via a nonmonotone spectral projected gradient pursuit method

    NASA Astrophysics Data System (ADS)

    Ye, Jinzuo; Du, Yang; An, Yu; Chi, Chongwei; Tian, Jie

    2014-12-01

    Fluorescence molecular tomography (FMT) is a promising imaging technique in preclinical research, enabling three-dimensional location of the specific tumor position for small animal imaging. However, FMT presents a challenging inverse problem that is quite ill-posed and ill-conditioned. Thus, the reconstruction of FMT faces various challenges in its robustness and efficiency. We present an FMT reconstruction method based on nonmonotone spectral projected gradient pursuit (NSPGP) with l1-norm optimization. At each iteration, a spectral gradient-projection method approximately minimizes a least-squares problem with an explicit one-norm constraint. A nonmonotone line search strategy is utilized to get the appropriate updating direction, which guarantees global convergence. Additionally, the Barzilai-Borwein step length is applied to build the optimal step length, further improving the convergence speed of the proposed method. Several numerical simulation studies, including multisource cases as well as comparative analyses, have been performed to evaluate the performance of the proposed method. The results indicate that the proposed NSPGP method is able to ensure the accuracy, robustness, and efficiency of FMT reconstruction. Furthermore, an in vivo experiment based on a heterogeneous mouse model was conducted, and the results demonstrated that the proposed method held the potential for practical applications of FMT.

  19. Buckling analysis of tapered nanobeams using nonlocal strain gradient theory and a generalized differential quadrature method

    NASA Astrophysics Data System (ADS)

    Bakhshi Khaniki, H.; Hosseini-Hashemi, Sh

    2017-06-01

    This paper presents the buckling behavior of tapered small-scale beams in the framework of nonlocal strain gradient theory. Three different types of cross-sectional variation are proposed—width variation, thickness variation and a combination of both. The Euler-Bernoulli beam model, nonlocal strain gradient theory and Hamilton’s principle are employed to achieve the governing equations of small-scale beams. A generalized differential quadrature method is used to solve the governing equations for all three nonuniformity models. In order to comprehend the influence of a nonuniform cross section, a parametric study is presented and the effects of strain gradient, nonlocal elasticity and all three types of nonuniformity on the critical buckling load are presented. It is shown that such nonuniformities have a significant effect on the buckling behavior of small-scale beams. Accordingly, with the wide application of tapered small-scale beams in many devices, this study could be a step forward in understanding, predicting and controlling such behaviors.

  20. 3D inversion of full magnetic gradient tensor data based on hybrid regularization method

    NASA Astrophysics Data System (ADS)

    Ji, Shuangxi; Zhang, Huai; Wang, Yanfei; Zhao, Lingling

    2017-04-01

    Recently, the magnetic tensor data can be directly measured due to the latest development of superconducting quantum interference device (SQUID) based sensors, which can collect five unique magnetic gradients components (partial H_x/ partial x , partial H_x/ partial y , partial H_x/ partial z , partial H_y/ partial z ,partial H_z/ partial z ). More measurement date will bring more useful information of observed magnetic anomaly, however it still bear the computational instability problem because of the intrinsic ill-posed property in the magnetic inverse problem. Furthermore, most of research on magnetic regularization inversion only concentrate on total magnetic field or magnetic vector field, rather than the magnetic gradient tensor field. Therefore we introduce a novel 3D hybrid regularization method by MS-TV stabilizer for inversion of magnetic gradient tensor data, which is designed mainly based on the minimum support functional (MS) and total variation functional (TV), and the final regularization functional can be described as the following form: J(κ)&=1/2(G(κ)-d,wd(G(κ)-d))ΩP+α((1-λ)φpMS(κ)+λφβ TV(κ)) &=1/2(G(κ)-d,wd(G(κ)-d))ΩP +α(1-λ/2\\intΩQ(κ-κprior)2/(κ-κprior)2+e2dΩQ &+λ\\intΩQ√{|\

  1. Gradient-Based Aerodynamic Shape Optimization Using ADI Method for Large-Scale Problems

    NASA Technical Reports Server (NTRS)

    Pandya, Mohagna J.; Baysal, Oktay

    1997-01-01

    A gradient-based shape optimization methodology, that is intended for practical three-dimensional aerodynamic applications, has been developed. It is based on the quasi-analytical sensitivities. The flow analysis is rendered by a fully implicit, finite volume formulation of the Euler equations.The aerodynamic sensitivity equation is solved using the alternating-direction-implicit (ADI) algorithm for memory efficiency. A flexible wing geometry model, that is based on surface parameterization and platform schedules, is utilized. The present methodology and its components have been tested via several comparisons. Initially, the flow analysis for for a wing is compared with those obtained using an unfactored, preconditioned conjugate gradient approach (PCG), and an extensively validated CFD code. Then, the sensitivities computed with the present method have been compared with those obtained using the finite-difference and the PCG approaches. Effects of grid refinement and convergence tolerance on the analysis and shape optimization have been explored. Finally the new procedure has been demonstrated in the design of a cranked arrow wing at Mach 2.4. Despite the expected increase in the computational time, the results indicate that shape optimization, which require large numbers of grid points can be resolved with a gradient-based approach.

  2. Multimode gradient high performance liquid chromatography mass spectrometry method applicable to metabolomics and environmental monitoring.

    PubMed

    Ammann, Adrian A; Suter, Marc J-F

    2016-07-22

    Metabolomics or environmental investigations generate samples containing very large numbers of small molecular weight analytes. A single mode chromatographic separation excludes a substantial part of such complex analyte mixtures. For instance, a reversed-phase separation would not retain ionic species, resulting in a correspondingly huge front peak. To address this problem, we used two commercially available mixed-mode ion-exchange reversed-phase columns (WAX-1 and WCX-1) in sequence in a novel multimode separation method. After trapping hydrophobics on a C18-trap in loop position, hydrophilics passing the trap are separated by a simultaneous gradient for HILIC, anion and cation exchange chromatography. This gradient ends in a washout phase with a high percentage of water, the correct starting conditions for a reversed-phase gradient eluting hydrophobics from the trap in a second step of the run. Amino acids (9), organic acids (2), sugars (8), fatty acid derived compounds (11), antioxidants (4), miscellanea (6) and xenobiotics (4) were analyzed. Compounds were separated after a single sample injection during a 50min run. Lipids derived small fatty acids up to a chain length of 12 carbons were also accessible within this run time. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. A Sea-Sky Line Detection Method for Unmanned Surface Vehicles Based on Gradient Saliency.

    PubMed

    Wang, Bo; Su, Yumin; Wan, Lei

    2016-04-15

    Special features in real marine environments such as cloud clutter, sea glint and weather conditions always result in various kinds of interference in optical images, which make it very difficult for unmanned surface vehicles (USVs) to detect the sea-sky line (SSL) accurately. To solve this problem a saliency-based SSL detection method is proposed. Through the computation of gradient saliency the line features of SSL are enhanced effectively, while other interference factors are relatively suppressed, and line support regions are obtained by a region growing method on gradient orientation. The SSL identification is achieved according to region contrast, line segment length and orientation features, and optimal state estimation of SSL detection is implemented by introducing a cubature Kalman filter (CKF). In the end, the proposed method is tested on a benchmark dataset from the "XL" USV in a real marine environment, and the experimental results demonstrate that the proposed method is significantly superior to other state-of-the-art methods in terms of accuracy rate and real-time performance, and its accuracy and stability are effectively improved by the CKF.

  4. Conjugate-gradient preconditioning methods for shift-variant PET image reconstruction.

    PubMed

    Fessler, J A; Booth, S D

    1999-01-01

    Gradient-based iterative methods often converge slowly for tomographic image reconstruction and image restoration problems, but can be accelerated by suitable preconditioners. Diagonal preconditioners offer some improvement in convergence rate, but do not incorporate the structure of the Hessian matrices in imaging problems. Circulant preconditioners can provide remarkable acceleration for inverse problems that are approximately shift-invariant, i.e., for those with approximately block-Toeplitz or block-circulant Hessians. However, in applications with nonuniform noise variance, such as arises from Poisson statistics in emission tomography and in quantum-limited optical imaging, the Hessian of the weighted least-squares objective function is quite shift-variant, and circulant preconditioners perform poorly. Additional shift-variance is caused by edge-preserving regularization methods based on nonquadratic penalty functions. This paper describes new preconditioners that approximate more accurately the Hessian matrices of shift-variant imaging problems. Compared to diagonal or circulant preconditioning, the new preconditioners lead to significantly faster convergence rates for the unconstrained conjugate-gradient (CG) iteration. We also propose a new efficient method for the line-search step required by CG methods. Applications to positron emission tomography (PET) illustrate the method.

  5. A Sea-Sky Line Detection Method for Unmanned Surface Vehicles Based on Gradient Saliency

    PubMed Central

    Wang, Bo; Su, Yumin; Wan, Lei

    2016-01-01

    Special features in real marine environments such as cloud clutter, sea glint and weather conditions always result in various kinds of interference in optical images, which make it very difficult for unmanned surface vehicles (USVs) to detect the sea-sky line (SSL) accurately. To solve this problem a saliency-based SSL detection method is proposed. Through the computation of gradient saliency the line features of SSL are enhanced effectively, while other interference factors are relatively suppressed, and line support regions are obtained by a region growing method on gradient orientation. The SSL identification is achieved according to region contrast, line segment length and orientation features, and optimal state estimation of SSL detection is implemented by introducing a cubature Kalman filter (CKF). In the end, the proposed method is tested on a benchmark dataset from the “XL” USV in a real marine environment, and the experimental results demonstrate that the proposed method is significantly superior to other state-of-the-art methods in terms of accuracy rate and real-time performance, and its accuracy and stability are effectively improved by the CKF. PMID:27092503

  6. A Robust Gradient Based Method for Building Extraction from LiDAR and Photogrammetric Imagery

    PubMed Central

    Siddiqui, Fasahat Ullah; Teng, Shyh Wei; Awrangjeb, Mohammad; Lu, Guojun

    2016-01-01

    Existing automatic building extraction methods are not effective in extracting buildings which are small in size and have transparent roofs. The application of large area threshold prohibits detection of small buildings and the use of ground points in generating the building mask prevents detection of transparent buildings. In addition, the existing methods use numerous parameters to extract buildings in complex environments, e.g., hilly area and high vegetation. However, the empirical tuning of large number of parameters reduces the robustness of building extraction methods. This paper proposes a novel Gradient-based Building Extraction (GBE) method to address these limitations. The proposed method transforms the Light Detection And Ranging (LiDAR) height information into intensity image without interpolation of point heights and then analyses the gradient information in the image. Generally, building roof planes have a constant height change along the slope of a roof plane whereas trees have a random height change. With such an analysis, buildings of a greater range of sizes with a transparent or opaque roof can be extracted. In addition, a local colour matching approach is introduced as a post-processing stage to eliminate trees. This stage of our proposed method does not require any manual setting and all parameters are set automatically from the data. The other post processing stages including variance, point density and shadow elimination are also applied to verify the extracted buildings, where comparatively fewer empirically set parameters are used. The performance of the proposed GBE method is evaluated on two benchmark data sets by using the object and pixel based metrics (completeness, correctness and quality). Our experimental results show the effectiveness of the proposed method in eliminating trees, extracting buildings of all sizes, and extracting buildings with and without transparent roof. When compared with current state-of-the-art building

  7. A Robust Gradient Based Method for Building Extraction from LiDAR and Photogrammetric Imagery.

    PubMed

    Siddiqui, Fasahat Ullah; Teng, Shyh Wei; Awrangjeb, Mohammad; Lu, Guojun

    2016-07-19

    Existing automatic building extraction methods are not effective in extracting buildings which are small in size and have transparent roofs. The application of large area threshold prohibits detection of small buildings and the use of ground points in generating the building mask prevents detection of transparent buildings. In addition, the existing methods use numerous parameters to extract buildings in complex environments, e.g., hilly area and high vegetation. However, the empirical tuning of large number of parameters reduces the robustness of building extraction methods. This paper proposes a novel Gradient-based Building Extraction (GBE) method to address these limitations. The proposed method transforms the Light Detection And Ranging (LiDAR) height information into intensity image without interpolation of point heights and then analyses the gradient information in the image. Generally, building roof planes have a constant height change along the slope of a roof plane whereas trees have a random height change. With such an analysis, buildings of a greater range of sizes with a transparent or opaque roof can be extracted. In addition, a local colour matching approach is introduced as a post-processing stage to eliminate trees. This stage of our proposed method does not require any manual setting and all parameters are set automatically from the data. The other post processing stages including variance, point density and shadow elimination are also applied to verify the extracted buildings, where comparatively fewer empirically set parameters are used. The performance of the proposed GBE method is evaluated on two benchmark data sets by using the object and pixel based metrics (completeness, correctness and quality). Our experimental results show the effectiveness of the proposed method in eliminating trees, extracting buildings of all sizes, and extracting buildings with and without transparent roof. When compared with current state-of-the-art building

  8. Iterative reconstruction methods in atmospheric tomography: FEWHA, Kaczmarz and Gradient-based algorithm

    NASA Astrophysics Data System (ADS)

    Ramlau, R.; Saxenhuber, D.; Yudytskiy, M.

    2014-07-01

    The problem of atmospheric tomography arises in ground-based telescope imaging with adaptive optics (AO), where one aims to compensate in real-time for the rapidly changing optical distortions in the atmosphere. Many of these systems depend on a sufficient reconstruction of the turbulence profiles in order to obtain a good correction. Due to steadily growing telescope sizes, there is a strong increase in the computational load for atmospheric reconstruction with current methods, first and foremost the MVM. In this paper we present and compare three novel iterative reconstruction methods. The first iterative approach is the Finite Element- Wavelet Hybrid Algorithm (FEWHA), which combines wavelet-based techniques and conjugate gradient schemes to efficiently and accurately tackle the problem of atmospheric reconstruction. The method is extremely fast, highly flexible and yields superior quality. Another novel iterative reconstruction algorithm is the three step approach which decouples the problem in the reconstruction of the incoming wavefronts, the reconstruction of the turbulent layers (atmospheric tomography) and the computation of the best mirror correction (fitting step). For the atmospheric tomography problem within the three step approach, the Kaczmarz algorithm and the Gradient-based method have been developed. We present a detailed comparison of our reconstructors both in terms of quality and speed performance in the context of a Multi-Object Adaptive Optics (MOAO) system for the E-ELT setting on OCTOPUS, the ESO end-to-end simulation tool.

  9. Distortion correction in EPI using an extended PSF method with a reversed phase gradient approach.

    PubMed

    In, Myung-Ho; Posnansky, Oleg; Beall, Erik B; Lowe, Mark J; Speck, Oliver

    2015-01-01

    In echo-planar imaging (EPI), such as commonly used for functional MRI (fMRI) and diffusion-tensor imaging (DTI), compressed distortion is a more difficult challenge than local stretching as spatial information can be lost in strongly compressed areas. In addition, the effects are more severe at ultra-high field (UHF) such as 7T due to increased field inhomogeneity. To resolve this problem, two EPIs with opposite phase-encoding (PE) polarity were acquired and combined after distortion correction. For distortion correction, a point spread function (PSF) mapping method was chosen due to its high correction accuracy and extended to perform distortion correction of both EPIs with opposite PE polarity thus reducing the PSF reference scan time. Because the amount of spatial information differs between the opposite PE datasets, the method was further extended to incorporate a weighted combination of the two distortion-corrected images to maximize the spatial information content of a final corrected image. The correction accuracy of the proposed method was evaluated in distortion-corrected data using both forward and reverse phase-encoded PSF reference data and compared with the reversed gradient approaches suggested previously. Further we demonstrate that the extended PSF method with an improved weighted combination can recover local distortions and spatial information loss and be applied successfully not only to spin-echo EPI, but also to gradient-echo EPIs acquired with both PE directions to perform geometrically accurate image reconstruction.

  10. Myocardial fractional flow reserve: a biplane angiocardiographic alternative to the pressure gradient method

    NASA Astrophysics Data System (ADS)

    Schrijver, Marc; Slump, Cornelis H.; Storm, Corstiaan J.

    2001-05-01

    Pijls and De Bruyne (1993) developed a method employing intravascular blood pressure gradients to calculate the Myocardial Fractional Flow Reserve (FFR). This flow reserve is a better indication of the functional severity of a coronary stenosis than percentage diameter or luminal area reduction as provided by traditional Quantitative Coronary Angiography (QCA). However, to use this method, all of the relevant artery segments have to be select intra-operatively. After the procedure, only the segments for which a pressure reading is available can be graded. We previously introduced another way to assess the functional severity of stenosis using angiographic projections: the Relative Coronary Flow Reserve (RCFR). It is based on standard densitometric blood velocity and flow reserve methods, but without the need to estimate the geometry of the artery. This paper demonstrates that this RCFR method yields -- in theory -- the same results as the FFR, and can be given an almost identical interpretation. This provides the opportunity to use the RCFR retrospectively, when pressure gradients are not available for the segment(s) of interest.

  11. A Mixed FE-Meshfree Method for Gradient Plasticity Continuum with Linear Complementary Model

    NASA Astrophysics Data System (ADS)

    Zhang, Junbo; Li, Xikui

    2010-05-01

    A mixed FE-meshfree method based on gradient plasticity and linear complementary problem (LCP) model is proposed. The plastic multiplier field is assumed and approximately interpolated in terms of its discretized values defined at the integration points with moving least-square (MLS) meshfree method. Whereas the displacement field is discretized in terms of its nodal values with FE interpolation approximations. The weak form of the equilibrium equation along with the non-local constitutive equation and gradient-dependent yield criterion locally enforced at each integration point are combined to educe a normal form of LCP which is solved by means of Lexico-Lemke algorithm. A consistent algorithm based on backward-Euler return mapping integration scheme is devised. There is no need to derive non-local consistent tangent elasto-plastic modulus matrix in the proposed method while the second convergence rate is still retained. Numerical results demonstrate the validity of the method in modeling strain localization problem due to strain softening.

  12. Ficoll-400 density gradient method as an effective sperm preparation technique for assisted reproductive techniques

    PubMed Central

    Highland, Hyacinth N.; Rishika, A. Sharma; Almira, S. Shaikh; Kanthi, P. Bansal

    2016-01-01

    BACKGROUND: Infertility being a burning issue, the male itself contributes about 40% as a cause, as evident by statistical data. However, Assisted Reproductive Technology (ART) has emerged as a powerful tool in the management of infertility. Sperm preparation techniques govern the selection procedure to separate functional spermatozoa which can then be used in IUI, IVF, and ART and for cryopreservation. AIM: The present study was aimed at evaluation of sperm preparation techniques for reliability, performance and to determine the most effective, feasible and economical technique. MATERIALS AND METHODS: The subjects under study includes males with normal proven fertility (n=40) and the males with unexplained infertility (n=40). Four sperm separation techniques, viz., Swim-up, Swim-down, Sucrose and Ficoll-400 density gradient techniques were evaluated for their efficacy in separation of good quality fraction of spermatozoa. Sperm viability, morphology and maturation status of spermatozoa were taken as evaluation parameters following the standard methods (WHO 2010). STATISTICAL ANALYSIS: Data was analyzed using student's t-test and the four selected techniques were compared with the normal semen samples for scoring the efficiency of the techniques. RESULTS AND DISCUSSION: Out of the several techniques used, Ficoll-400 was found to be more efficient method for separation of spermatozoa. The percentage of change in each parameter was calculated and taken as the index for recovery of potent sperm from the original sperm. Ficoll-400 density gradient yielded higher percentage of live, mature, morphologically normal spermatozoa in an isolated fraction as compared to other three techniques. CONCLUSION: It was observed that a combination of Ficoll-400 gradient separation with Swim-up technique could give quality spermatozoa which in-turn would directly have an impact on the success of IVF and other ART techniques. PMID:27803588

  13. Inexact Uzawa conjugate gradient method for the Stokes problem for incompressible fluid

    NASA Astrophysics Data System (ADS)

    Dementyeva, E.; Karepova, E.; Kireev, I.

    2016-10-01

    In this paper, the two-dimensional Stokes equations are considered for a viscous incompressible fluid in a channel. To construct a discrete problem, the Taylor-Hood finite elements are used. The obtained system of linear algebraic equations is of the saddle point type and is solved by a modified inexact Uzawa conjugate gradient method. Usually the Uzawa methods are considered for velocity-pressure unknowns. In our version, the problem is formulated in terms of velocity-pressure deviations from the desired saddle point of the discrete problem. This allows one to improve considerably the numerical efficiency of the method. The convergence of the method is studied numerically as well as theoretically.

  14. Finite elements and the method of conjugate gradients on a concurrent processor

    NASA Technical Reports Server (NTRS)

    Lyzenga, G. A.; Raefsky, A.; Hager, B. H.

    1984-01-01

    An algorithm for the iterative solution of finite element problems on a concurrent processor is presented. The method of conjugate gradients is used to solve the system of matrix equations, which is distributed among the processors of a MIMD computer according to an element-based spatial decomposition. This algorithm is implemented in a two-dimensional elastostatics program on the Caltech Hypercube concurrent processor. The results of tests on up to 32 processors show nearly linear concurrent speedup, with efficiencies over 90% for sufficiently large problems.

  15. Partial spectral projected gradient method with active-set strategy for linearly constrained optimization

    NASA Astrophysics Data System (ADS)

    Andretta, Marina; Birgin, Ernesto; Martínez, J.

    2010-01-01

    A method for linearly constrained optimization which modifies and generalizes recent box-constraint optimization algorithms is introduced. The new algorithm is based on a relaxed form of Spectral Projected Gradient iterations. Intercalated with these projected steps, internal iterations restricted to faces of the polytope are performed, which enhance the efficiency of the algorithm. Convergence proofs are given and numerical experiments are included and commented. Software supporting this paper is available through the Tango Project web page: http://www.ime.usp.br/˜egbirgin/tango/.

  16. Polarity for quadratic hypersurfaces and conjugate gradient method: Relation between degenerate and nondegenerate cases

    NASA Astrophysics Data System (ADS)

    Giovanni, Fasano; Silvio, Giove; Riccardo, Gusso

    2016-10-01

    In this paper we consider a geometric viewpoint to analyze the behaviour of the Conjugate Gradient (CG) method, for the solution of a symmetric linear system, when at current step a pivot breakdown possibly occurs (degenerate case). As well known this can occur when the system matrix is indefinite or singular. In the latter case the CG gets stuck, since the steplength along the current search direction cannot be computed. We show here that a simple geometric interpretation can be provided for the degenerate case, as long as some basics on projective geometry in the Euclidean space are considered.

  17. Multigrid preconditioned conjugate-gradient method for large-scale wave-front reconstruction.

    PubMed

    Gilles, Luc; Vogel, Curtis R; Ellerbroek, Brent L

    2002-09-01

    We introduce a multigrid preconditioned conjugate-gradient (MGCG) iterative scheme for computing open-loop wave-front reconstructors for extreme adaptive optics systems. We present numerical simulations for a 17-m class telescope with n = 48756 sensor measurement grid points within the aperture, which indicate that our MGCG method has a rapid convergence rate for a wide range of subaperture average slope measurement signal-to-noise ratios. The total computational cost is of order n log n. Hence our scheme provides for fast wave-front simulation and control in large-scale adaptive optics systems.

  18. Assessing composition gradients in multifilamentary superconductors by means of magnetometry methods

    NASA Astrophysics Data System (ADS)

    Baumgartner, T.; Hecher, J.; Bernardi, J.; Pfeiffer, S.; Senatore, C.; Eisterer, M.

    2017-01-01

    We present two magnetometry-based methods suitable for assessing gradients in the critical temperature and hence the composition of multifilamentary superconductors: AC magnetometry and scanning Hall probe microscopy. The novelty of the former technique lies in the iterative evaluation procedure we developed, whereas the strength of the latter is the direct visualization of the temperature dependent penetration of a magnetic field into the superconductor. Using the example of a PIT Nb3Sn wire, we demonstrate the application of these techniques, and compare the respective results to each other and to EDX measurements of the Sn distribution within the sub-elements of the wire.

  19. A Single-Lap Joint Adhesive Bonding Optimization Method Using Gradient and Genetic Algorithms

    NASA Technical Reports Server (NTRS)

    Smeltzer, Stanley S., III; Finckenor, Jeffrey L.

    1999-01-01

    A natural process for any engineer, scientist, educator, etc. is to seek the most efficient method for accomplishing a given task. In the case of structural design, an area that has a significant impact on the structural efficiency is joint design. Unless the structure is machined from a solid block of material, the individual components which compose the overall structure must be joined together. The method for joining a structure varies depending on the applied loads, material, assembly and disassembly requirements, service life, environment, etc. Using both metallic and fiber reinforced plastic materials limits the user to two methods or a combination of these methods for joining the components into one structure. The first is mechanical fastening and the second is adhesive bonding. Mechanical fastening is by far the most popular joining technique; however, in terms of structural efficiency, adhesive bonding provides a superior joint since the load is distributed uniformly across the joint. The purpose of this paper is to develop a method for optimizing single-lap joint adhesive bonded structures using both gradient and genetic algorithms and comparing the solution process for each method. The goal of the single-lap joint optimization is to find the most efficient structure that meets the imposed requirements while still remaining as lightweight, economical, and reliable as possible. For the single-lap joint, an optimum joint is determined by minimizing the weight of the overall joint based on constraints from adhesive strengths as well as empirically derived rules. The analytical solution of the sin-le-lap joint is determined using the classical Goland-Reissner technique for case 2 type adhesive joints. Joint weight minimization is achieved using a commercially available routine, Design Optimization Tool (DOT), for the gradient solution while an author developed method is used for the genetic algorithm solution. Results illustrate the critical design variables

  20. A Single-Lap Joint Adhesive Bonding Optimization Method Using Gradient and Genetic Algorithms

    NASA Technical Reports Server (NTRS)

    Smeltzer, Stanley S., III; Finckenor, Jeffrey L.

    1999-01-01

    A natural process for any engineer, scientist, educator, etc. is to seek the most efficient method for accomplishing a given task. In the case of structural design, an area that has a significant impact on the structural efficiency is joint design. Unless the structure is machined from a solid block of material, the individual components which compose the overall structure must be joined together. The method for joining a structure varies depending on the applied loads, material, assembly and disassembly requirements, service life, environment, etc. Using both metallic and fiber reinforced plastic materials limits the user to two methods or a combination of these methods for joining the components into one structure. The first is mechanical fastening and the second is adhesive bonding. Mechanical fastening is by far the most popular joining technique; however, in terms of structural efficiency, adhesive bonding provides a superior joint since the load is distributed uniformly across the joint. The purpose of this paper is to develop a method for optimizing single-lap joint adhesive bonded structures using both gradient and genetic algorithms and comparing the solution process for each method. The goal of the single-lap joint optimization is to find the most efficient structure that meets the imposed requirements while still remaining as lightweight, economical, and reliable as possible. For the single-lap joint, an optimum joint is determined by minimizing the weight of the overall joint based on constraints from adhesive strengths as well as empirically derived rules. The analytical solution of the sin-le-lap joint is determined using the classical Goland-Reissner technique for case 2 type adhesive joints. Joint weight minimization is achieved using a commercially available routine, Design Optimization Tool (DOT), for the gradient solution while an author developed method is used for the genetic algorithm solution. Results illustrate the critical design variables

  1. Improving the accuracy of the gradient method for determining soil carbon dioxide efflux

    NASA Astrophysics Data System (ADS)

    Sánchez-Cañete, Enrique P.; Scott, Russell L.; Haren, Joost; Barron-Gafford, Greg A.

    2017-01-01

    Soil CO2 efflux (Fsoil) represents a significant source of ecosystem CO2 emissions that is rarely quantified with high-temporal-resolution data in carbon flux studies. Fsoil estimates can be obtained by the low-cost gradient method (GM), but the utility of the method is hindered by uncertainties in the application of published models for the diffusion coefficient. Therefore, to address and resolve these uncertainties, we compared Fsoil measured by 2 soil CO2 efflux chambers and Fsoil estimated by 16 gas transport models using the GM across 1 year. We used 14 published empirical gas diffusion models and 2 in situ models: (1) a gas transfer model called "Chamber model" obtained using a calibration between the chamber and the gradient method and (2) a diffusion model called "SF6 model" obtained through an interwell conservative tracer experiment. Most of the published models using the GM underestimated cumulative annual Fsoil by 55% to 361%, while the Chamber model closely approximated cumulative Fsoil (0.6% error). Surprisingly, the SF6 model combined with the GM underestimated Fsoil by 32%. Differences between in situ models could stem from the Chamber model implicitly accounting for production of soil CO2, while the conservative tracer model does not. Therefore, we recommend using the GM only after calibration with chamber measurements to generate reliable long-term ecosystem Fsoil measurements. Accurate estimates of Fsoil will improve our understanding of soil respiration's contribution to ecosystem fluxes.

  2. Ficoll-400 density gradient method as an effective sperm preparation technique for assisted reproductive techniques.

    PubMed

    Highland, Hyacinth N; Rishika, A Sharma; Almira, S Shaikh; Kanthi, P Bansal

    2016-01-01

    Infertility being a burning issue, the male itself contributes about 40% as a cause, as evident by statistical data. However, Assisted Reproductive Technology (ART) has emerged as a powerful tool in the management of infertility. Sperm preparation techniques govern the selection procedure to separate functional spermatozoa which can then be used in IUI, IVF, and ART and for cryopreservation. The present study was aimed at evaluation of sperm preparation techniques for reliability, performance and to determine the most effective, feasible and economical technique. The subjects under study includes males with normal proven fertility (n=40) and the males with unexplained infertility (n=40). Four sperm separation techniques, viz., Swim-up, Swim-down, Sucrose and Ficoll-400 density gradient techniques were evaluated for their efficacy in separation of good quality fraction of spermatozoa. Sperm viability, morphology and maturation status of spermatozoa were taken as evaluation parameters following the standard methods (WHO 2010). Data was analyzed using student's t-test and the four selected techniques were compared with the normal semen samples for scoring the efficiency of the techniques. Out of the several techniques used, Ficoll-400 was found to be more efficient method for separation of spermatozoa. The percentage of change in each parameter was calculated and taken as the index for recovery of potent sperm from the original sperm. Ficoll-400 density gradient yielded higher percentage of live, mature, morphologically normal spermatozoa in an isolated fraction as compared to other three techniques. It was observed that a combination of Ficoll-400 gradient separation with Swim-up technique could give quality spermatozoa which in-turn would directly have an impact on the success of IVF and other ART techniques.

  3. Probability density function method for variable-density pressure-gradient-driven turbulence and mixing

    SciTech Connect

    Bakosi, Jozsef; Ristorcelli, Raymond J

    2010-01-01

    Probability density function (PDF) methods are extended to variable-density pressure-gradient-driven turbulence. We apply the new method to compute the joint PDF of density and velocity in a non-premixed binary mixture of different-density molecularly mixing fluids under gravity. The full time-evolution of the joint PDF is captured in the highly non-equilibrium flow: starting from a quiescent state, transitioning to fully developed turbulence and finally dissipated by molecular diffusion. High-Atwood-number effects (as distinguished from the Boussinesq case) are accounted for: both hydrodynamic turbulence and material mixing are treated at arbitrary density ratios, with the specific volume, mass flux and all their correlations in closed form. An extension of the generalized Langevin model, originally developed for the Lagrangian fluid particle velocity in constant-density shear-driven turbulence, is constructed for variable-density pressure-gradient-driven flows. The persistent small-scale anisotropy, a fundamentally 'non-Kolmogorovian' feature of flows under external acceleration forces, is captured by a tensorial diffusion term based on the external body force. The material mixing model for the fluid density, an active scalar, is developed based on the beta distribution. The beta-PDF is shown to be capable of capturing the mixing asymmetry and that it can accurately represent the density through transition, in fully developed turbulence and in the decay process. The joint model for hydrodynamics and active material mixing yields a time-accurate evolution of the turbulent kinetic energy and Reynolds stress anisotropy without resorting to gradient diffusion hypotheses, and represents the mixing state by the density PDF itself, eliminating the need for dubious mixing measures. Direct numerical simulations of the homogeneous Rayleigh-Taylor instability are used for model validation.

  4. Visualizing dispersive features in 2D image via minimum gradient method

    DOE PAGES

    He, Yu; Wang, Yan; Shen, Zhi -Xun

    2017-07-24

    Here, we developed a minimum gradient based method to track ridge features in a 2D image plot, which is a typical data representation in many momentum resolved spectroscopy experiments. Through both analytic formulation and numerical simulation, we compare this new method with existing DC (distribution curve) based and higher order derivative based analyses. We find that the new method has good noise resilience and enhanced contrast especially for weak intensity features and meanwhile preserves the quantitative local maxima information from the raw image. An algorithm is proposed to extract 1D ridge dispersion from the 2D image plot, whose quantitative applicationmore » to angle-resolved photoemission spectroscopy measurements on high temperature superconductors is demonstrated.« less

  5. Visualizing dispersive features in 2D image via minimum gradient method

    NASA Astrophysics Data System (ADS)

    He, Yu; Wang, Yan; Shen, Zhi-Xun

    2017-07-01

    We developed a minimum gradient based method to track ridge features in a 2D image plot, which is a typical data representation in many momentum resolved spectroscopy experiments. Through both analytic formulation and numerical simulation, we compare this new method with existing DC (distribution curve) based and higher order derivative based analyses. We find that the new method has good noise resilience and enhanced contrast especially for weak intensity features and meanwhile preserves the quantitative local maxima information from the raw image. An algorithm is proposed to extract 1D ridge dispersion from the 2D image plot, whose quantitative application to angle-resolved photoemission spectroscopy measurements on high temperature superconductors is demonstrated.

  6. Automatic localization of pupil using eccentricity and iris using gradient based method

    NASA Astrophysics Data System (ADS)

    Khan, Tariq M.; Aurangzeb Khan, M.; Malik, Shahzad A.; Khan, Shahid A.; Bashir, Tariq; Dar, Amir H.

    2011-02-01

    This paper presents a novel approach for the automatic localization of pupil and iris. Pupil and iris are nearly circular regions, which are surrounded by sclera, eyelids and eyelashes. The localization of both pupil and iris is extremely important in any iris recognition system. In the proposed algorithm pupil is localized using Eccentricity based Bisection method which looks for the region that has the highest probability of having pupil. While iris localization is carried out in two steps. In the first step, iris image is directionally segmented and a noise free region (region of interest) is extracted. In the second step, angular lines in the region of interest are extracted and the edge points of iris outer boundary are found through the gradient of these lines. The proposed method is tested on CASIA ver 1.0 and MMU Iris databases. Experimental results show that this method is comparatively accurate.

  7. Conjugate-gradient optimization method for orbital-free density functional calculations.

    PubMed

    Jiang, Hong; Yang, Weitao

    2004-08-01

    Orbital-free density functional theory as an extension of traditional Thomas-Fermi theory has attracted a lot of interest in the past decade because of developments in both more accurate kinetic energy functionals and highly efficient numerical methodology. In this paper, we developed a conjugate-gradient method for the numerical solution of spin-dependent extended Thomas-Fermi equation by incorporating techniques previously used in Kohn-Sham calculations. The key ingredient of the method is an approximate line-search scheme and a collective treatment of two spin densities in the case of spin-dependent extended Thomas-Fermi problem. Test calculations for a quartic two-dimensional quantum dot system and a three-dimensional sodium cluster Na216 with a local pseudopotential demonstrate that the method is accurate and efficient.

  8. Does non-ionizing radiant energy affect determination of the evaporation rate by the gradient method?

    PubMed

    Kjartansson, S; Hammarlund, K; Oberg, P A; Sedin, G

    1991-01-01

    A study was performed to investigate whether measurements of the evaporation rate from the skin of newborn infants by the gradient method are affected by the presence of non-ionizing radiation from phototherapy equipment or a radiant heater. The evaporation rate was measured experimentally with the measuring sensors either exposed to or protected from non-ionizing radiation. Either blue light (phototherapy) or infrared light (radiant heater) was used; in the former case the evaporation rate was measured from a beaker of water covered with a semipermeable membrane, and in the latter case from the hand of an adult subject, aluminium foil or with the measuring probe in the air. No adverse effect on the determinations of the evaporation rate was found in the presence of blue light. Infrared radiation caused an error of 0.8 g/m2h when the radiant heater was set at its highest effect level or when the ambient humidity was high. At low and moderate levels the observed evaporation rate was not affected. It is concluded that when clinical measurements are made from the skin of newborn infants nursed under a radiant heater, the evaporation rate can appropriately be determined by the gradient method.

  9. Lysis gradient centrifugation: a flexible method for the isolation of nuclei from primary cells.

    PubMed

    Katholnig, Karl; Poglitsch, Marko; Hengstschläger, Markus; Weichhart, Thomas

    2015-01-01

    The isolation of nuclei from eukaryotic cells is essential for studying the composition and the dynamic changes of the nuclear proteome to gain insight into the mechanisms of gene expression and cell signalling. Primary cells are particularly challenging for standard nuclear isolation protocols due to low protein content, sample degradation, or nuclear clumping. Here, we describe a rapid and flexible protocol for the isolation of clean and intact nuclei, which results in the recovery of 90-95 % highly pure nuclei. The method, called lysis gradient centrifugation (LGC), is based on an iso-osmolar discontinuous iodixanol-based density gradient including a detergent-containing lysis layer. A single low g-force centrifugation step enables mild cell lysis and prevents extensive contact of the nuclei with the cytoplasmic environment. This fast method shows high reproducibility due to the relatively little cell manipulation required by the investigator. Further advantages are the low amount of starting material required, easy parallel processing of multiple samples, and isolation of nuclei and cytoplasm at the same time from the same sample.

  10. Gradient Augmented Level Set Method for Two Phase Flow Simulations with Phase Change

    NASA Astrophysics Data System (ADS)

    Anumolu, C. R. Lakshman; Trujillo, Mario F.

    2016-11-01

    A sharp interface capturing approach is presented for two-phase flow simulations with phase change. The Gradient Augmented Levelset method is coupled with the two-phase momentum and energy equations to advect the liquid-gas interface and predict heat transfer with phase change. The Ghost Fluid Method (GFM) is adopted for velocity to discretize the advection and diffusion terms in the interfacial region. Furthermore, the GFM is employed to treat the discontinuity in the stress tensor, velocity, and temperature gradient yielding an accurate treatment in handling jump conditions. Thermal convection and diffusion terms are approximated by explicitly identifying the interface location, resulting in a sharp treatment for the energy solution. This sharp treatment is extended to estimate the interfacial mass transfer rate. At the computational cell, a d-cubic Hermite interpolating polynomial is employed to describe the interface location, which is locally fourth-order accurate. This extent of subgrid level description provides an accurate methodology for treating various interfacial processes with a high degree of sharpness. The ability to predict the interface and temperature evolutions accurately is illustrated by comparing numerical results with existing 1D to 3D analytical solutions.

  11. Comparisons and Limitations of Gradient Augmented Level Set and Algebraic Volume of Fluid Methods

    NASA Astrophysics Data System (ADS)

    Anumolu, Lakshman; Ryddner, Douglas; Trujillo, Mario

    2014-11-01

    Recent numerical methods for implicit interface transport are generally presented as enjoying higher order of spatial-temporal convergence when compared to classical methods or less sophisticated approaches. However, when applied to test cases, which are designed to simulate practical industrial conditions, significant reduction in convergence is observed in higher-order methods, whereas for the less sophisticated approaches same convergence is achieved but a growth in the error norms occurs. This provides an opportunity to understand the underlying issues which causes this decrease in accuracy in both types of methods. As an example we consider the Gradient Augmented Level Set method (GALS) and a variant of the Volume of Fluid (VoF) method in our study. Results show that while both methods do suffer from a loss of accuracy, it is the higher order method that suffers more. The implication is a significant reduction in the performance advantage of the GALS method over the VoF scheme. Reasons for this lie in the behavior of the higher order derivatives, particular in situations where the level set field is highly distorted. For the VoF approach, serious spurious deformations of the interface are observed, albeit with a deceptive zero loss of mass.

  12. An optimization-based method for high order gradient calculation on unstructured meshes

    NASA Astrophysics Data System (ADS)

    Busatto, Alcides Dallanora

    A new implicit and compact optimization-based method is presented for high order derivative calculation for finite-volume numerical method on unstructured meshes. High-order approaches to gradient calculation are often based on variants of the Least-Squares (L-S) method, an explicit method that requires a stencil large enough to accommodate the necessary variable information to calculate the derivatives. The new scheme proposed here is applicable for an arbitrary order of accuracy (demonstrated here up to 3rd order), and uses just the first level of face neighbors to compute all derivatives, thus reducing stencil size and avoiding stiffness in the calculation matrix. Preliminary results for a static variable field example and solution of a simple scalar transport (advection) equation show that the proposed method is able to deliver numerical accuracy equivalent to (or better than) the nominal order of accuracy for both 2nd and 3rd order schemes in the presence of a smoothly distributed variable field (i.e., in the absence of discontinuities). This new Optimization-based Gradient REconstruction (herein denoted OGRE) scheme produces, for the simple scalar transport test case, lower error and demands less computational time (for a given level of required precision) for a 3rd order scheme when compared to an equivalent L-S approach on a two-dimensional framework. For three-dimensional simulations, where the L-S scheme fails to obtain convergence without the help of limiters, the new scheme obtains stable convergence and also produces lower error solution when compared to a third order MUSCL scheme. Furthermore, spectral analysis of results from the advection equation shows that the new scheme is better able to accurately resolve high wave number modes, which demonstrates its potential to better solve problems presenting a wide spectrum of wavelengths, for example unsteady turbulent flow simulations.

  13. A pH-gradient induced method for wetting metal-layer embedded nanopores

    NASA Astrophysics Data System (ADS)

    Balagurusamy, Venkat; Stolovitzky, Gustavo

    2015-03-01

    Solid-state nanopores made on a single layer of Silicon nitride are wet by a number of methods by different workers. Typically, they involve using some low-surface tension liquid like iso propyl alcohol for pre-wetting before filling with the electrolyte solution of interest e.g., a buffered KCl solution both sides of the chamber that partition the nanopore. These methods can also be preceded by a cleaning step which may involve either oxygen plasma or piranha treatment. However we found that these methods were not successful in wetting certain batches of nanopores drilled in a stack of Si3N4/SiO2/TiN/SiO2/TiN/SiO2/TiN/SiO2/Si3N4 layers. We found that applying buffer solutions at different pH on the two sides of the nanopore greatly accelerated the wetting process from days to few hours and resulted in nanopores with near linear I-V behavior for high salt concentration buffer solutions. We will describe this method and the results for a number of nanopores. Nanopores wet with this pH gradient method translocate DNA molecules like nanopores wet by other methods mentioned here. We believe that the actual mechanism of this wetting process is influenced strongly by the pH effect on SiO2 surface. Efforts are underway to understand the working of this wetting method by quantum computer simulation methods.

  14. Accurate gradient approximation for complex interface problems in 3D by an improved coupling interface method

    SciTech Connect

    Shu, Yu-Chen; Chern, I-Liang; Chang, Chien C.

    2014-10-15

    Most elliptic interface solvers become complicated for complex interface problems at those “exceptional points” where there are not enough neighboring interior points for high order interpolation. Such complication increases especially in three dimensions. Usually, the solvers are thus reduced to low order accuracy. In this paper, we classify these exceptional points and propose two recipes to maintain order of accuracy there, aiming at improving the previous coupling interface method [26]. Yet the idea is also applicable to other interface solvers. The main idea is to have at least first order approximations for second order derivatives at those exceptional points. Recipe 1 is to use the finite difference approximation for the second order derivatives at a nearby interior grid point, whenever this is possible. Recipe 2 is to flip domain signatures and introduce a ghost state so that a second-order method can be applied. This ghost state is a smooth extension of the solution at the exceptional point from the other side of the interface. The original state is recovered by a post-processing using nearby states and jump conditions. The choice of recipes is determined by a classification scheme of the exceptional points. The method renders the solution and its gradient uniformly second-order accurate in the entire computed domain. Numerical examples are provided to illustrate the second order accuracy of the presently proposed method in approximating the gradients of the original states for some complex interfaces which we had tested previous in two and three dimensions, and a real molecule ( (1D63)) which is double-helix shape and composed of hundreds of atoms.

  15. A new multi-object image thresholding method based on correlation between object class uncertainty and intensity gradient

    PubMed Central

    Liu, Yinxiao; Liang, Guoyuan; Saha, Punam K.

    2012-01-01

    Purpose: Image thresholding and gradient analysis have remained popular image preprocessing tools for several decades due to the simplicity and straight-forwardness of their definitions. Also, optimum selection of threshold and gradient strength values are hidden steps in many advanced medical imaging algorithms. A reliable method for threshold optimization may be a crucial step toward automation of several medical image based applications. Most automatic thresholding and gradient selection methods reported in literature primarily focus on image histograms ignoring a significant amount of information embedded in the spatial distribution of intensity values forming visible features in an image. Here, we present a new method that simultaneously optimizes both threshold and gradient values for different object interfaces in an image that is based on unification of information from both the histogram and spatial image features; also, the method works for unknown number of object regions. Methods: A new energy function is formulated by combining the object class uncertainty measure, a histogram-based feature, of each pixel with its image gradient measure, a spatial contextual feature in an image. The energy function is designed to measure the overall compliance of the theoretical premise that, in a probabilistic sense, image intensities with high class uncertainty are associated with high image gradients. Finally, it is expressed as a function of threshold and gradient parameters and optimum combinations of these parameters are sought by locating pits and valleys on the energy surface. A major strength of the algorithm lies in the fact that it does not require the number of object regions in an image to be predefined. Results: The method has been applied on several medical image datasets and it has successfully determined both threshold and gradient parameters for different object interfaces even when some of the thresholds are almost impossible to locate in the

  16. An online supervised learning method based on gradient descent for spiking neurons.

    PubMed

    Xu, Yan; Yang, Jing; Zhong, Shuiming

    2017-09-01

    The purpose of supervised learning with temporal encoding for spiking neurons is to make the neurons emit a specific spike train encoded by precise firing times of spikes. The gradient-descent-based (GDB) learning methods are widely used and verified in the current research. Although the existing GDB multi-spike learning (or spike sequence learning) methods have good performance, they work in an offline manner and still have some limitations. This paper proposes an online GDB spike sequence learning method for spiking neurons that is based on the online adjustment mechanism of real biological neuron synapses. The method constructs error function and calculates the adjustment of synaptic weights as soon as the neurons emit a spike during their running process. We analyze and synthesize desired and actual output spikes to select appropriate input spikes in the calculation of weight adjustment in this paper. The experimental results show that our method obviously improves learning performance compared with the offline learning manner and has certain advantage on learning accuracy compared with other learning methods. Stronger learning ability determines that the method has large pattern storage capacity. Copyright © 2017 Elsevier Ltd. All rights reserved.

  17. A self-reference PRF-shift MR thermometry method utilizing the phase gradient.

    PubMed

    Langley, Jason; Potter, William; Phipps, Corey; Huang, Feng; Zhao, Qun

    2011-12-21

    In magnetic resonance (MR) imaging, the most widely used and accurate method for measuring temperature is based on the shift in proton resonance frequency (PRF). However, inter-scan motion and bulk magnetic field shifts can lead to inaccurate temperature measurements in the PRF-shift MR thermometry method. The self-reference PRF-shift MR thermometry method was introduced to overcome such problems by deriving a reference image from the heated or treated image, and approximates the reference phase map with low-order polynomial functions. In this note, a new approach is presented to calculate the baseline phase map in self-reference PRF-shift MR thermometry. The proposed method utilizes the phase gradient to remove the phase unwrapping step inherent to other self-reference PRF-shift MR thermometry methods. The performance of the proposed method was evaluated using numerical simulations with temperature distributions following a two-dimensional Gaussian function as well as phantom and in vivo experimental data sets. The results from both the numerical simulations and experimental data show that the proposed method is a promising technique for measuring temperature.

  18. Probability density based gradient projection method for inverse kinematics of a robotic human body model.

    PubMed

    Lura, Derek; Wernke, Matthew; Alqasemi, Redwan; Carey, Stephanie; Dubey, Rajiv

    2012-01-01

    This paper presents the probability density based gradient projection (GP) of the null space of the Jacobian for a 25 degree of freedom bilateral robotic human body model (RHBM). This method was used to predict the inverse kinematics of the RHBM and maximize the similarity between predicted inverse kinematic poses and recorded data of 10 subjects performing activities of daily living. The density function was created for discrete increments of the workspace. The number of increments in each direction (x, y, and z) was varied from 1 to 20. Performance of the method was evaluated by finding the root mean squared (RMS) of the difference between the predicted joint angles relative to the joint angles recorded from motion capture. The amount of data included in the creation of the probability density function was varied from 1 to 10 subjects, creating sets of for subjects included and excluded from the density function. The performance of the GP method for subjects included and excluded from the density function was evaluated to test the robustness of the method. Accuracy of the GP method varied with amount of incremental division of the workspace, increasing the number of increments decreased the RMS error of the method, with the error of average RMS error of included subjects ranging from 7.7° to 3.7°. However increasing the number of increments also decreased the robustness of the method.

  19. A gradient based facile HPLC method for simultaneous estimation of antioxidants extracted from tea powder.

    PubMed

    Nanjegowda, Shankara H; Papanna, Manasa G; Achar, Raghu Ram; Rangappa, Kanchugarakoppal S; Mallu, Puttaswamappa; Swamy, Shivananju Nanjunda

    2016-05-01

    A new simple, rapid and precise RP-HPLC method was developed for the extraction and quantitative estimation of caffeine (C), (-)-epigallocatechin gallate (EGCG), (+)-catechin(Ct), (-)-epicatechin(EC), and (-)-epicatechin gallate (ECG) (collectively named as Tea Powder Bioactives TPBAs) extracted from tea powder using different ratios of ethanol: water. The simultaneous determination of TPBAs was performed using the UV spectrophotometric method which employs the absorbance at 205 nm (λmax of caffeine and polyphenols). This method is a gradient based HPLC method with a flow rate of 0.8 mL/min using Inertsil ODS 100 × 4.6 mm, 3 μm column with methanol and ammonium dihydrogen phosphate (pH-2.8) as mobile phase. The method was validated in terms of specificity, precision, linearity, accuracy, limit of quantification (LOQ), and limit of detection (LOD). The linearity of the proposed method was investigated for concentration ranging between 0.5-60 μg/mL with regression co-efficient, R(2) = 0.999-1.0. This method estimates all the TPBAs simultaneously with enhanced precision and linearity as per the ICH guidelines. Also, to confirm the individual TPBA, the antioxidant property of the each TPBA was analyzed which was commensurate with that of the previous reports.

  20. One-step method for generating PEG-like plasma polymer gradients: chemical characterization and analysis of protein interactions.

    PubMed

    Menzies, Donna J; Cowie, Bruce; Fong, Celesta; Forsythe, John S; Gengenbach, Thomas R; McLean, Keith M; Puskar, Ljiljana; Textor, Marcus; Thomsen, Lars; Tobin, Mark; Muir, Benjamin W

    2010-09-07

    In this work we report a one-step method for the fabrication of poly(ethylene glycol) PEG-like chemical gradients, which were deposited via continuous wave radio frequency glow discharge plasma polymerization of diethylene glycol dimethyl ether (DG). A knife edge top electrode was used to produce the gradient coatings at plasma load powers of 5 and 30 W. The chemistry across the gradients was analyzed using a number of complementary techniques including spatially resolved synchrotron source grazing incidence FTIR microspectroscopy, X-ray photoelectron spectroscopy (XPS) and synchrotron source near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Gradients deposited at lower load power retained a higher degree of monomer like functionality as did the central region directly underneath the knife edge electrode of each gradient film. Surface derivatization experiments were employed to investigate the concentration of residual ether units in the films. In addition, surface derivatization was used to investigate the reactivity of the gradient films toward primary amine groups in a graft copolymer of poly (L-lysine) and poly(ethylene glycol) (PLL-g-PEG copolymer) which was correlated to residual aldehyde, ketone and carboxylic acid functionalities within the films. The protein adsorption characteristics of the gradients were analyzed using three proteins of varying size and charge. Protein adsorption varied and was dependent on the chemistry and the physical properties (such as size and charge) of the proteins. A correlation between the concentration of ether functionality and the protein fouling characteristics along the gradient films was observed. The gradient coating technique developed in this work allows for the efficient and high-throughput study of biomaterial gradient coating interactions.

  1. Using Chebyshev polynomials and approximate inverse triangular factorizations for preconditioning the conjugate gradient method

    NASA Astrophysics Data System (ADS)

    Kaporin, I. E.

    2012-02-01

    In order to precondition a sparse symmetric positive definite matrix, its approximate inverse is examined, which is represented as the product of two sparse mutually adjoint triangular matrices. In this way, the solution of the corresponding system of linear algebraic equations (SLAE) by applying the preconditioned conjugate gradient method (CGM) is reduced to performing only elementary vector operations and calculating sparse matrix-vector products. A method for constructing the above preconditioner is described and analyzed. The triangular factor has a fixed sparsity pattern and is optimal in the sense that the preconditioned matrix has a minimum K-condition number. The use of polynomial preconditioning based on Chebyshev polynomials makes it possible to considerably reduce the amount of scalar product operations (at the cost of an insignificant increase in the total number of arithmetic operations). The possibility of an efficient massively parallel implementation of the resulting method for solving SLAEs is discussed. For a sequential version of this method, the results obtained by solving 56 test problems from the Florida sparse matrix collection (which are large-scale and ill-conditioned) are presented. These results show that the method is highly reliable and has low computational costs.

  2. Gradient and High-Throughput Methods for the Accelerated Development of Nanomaterials and Nanometrology

    NASA Astrophysics Data System (ADS)

    Fasolka, Michael J.

    2005-03-01

    Increasingly, new materials are highly tailored towards specific applications, are formulated from many components, and exhibit behavior governed by a multitude of physical, chemical and processing factors. Accordingly, the discovery and optimization of materials are met by considerable challenges inherent to the understanding of large, complex parameter spaces. In this respect, combinatorial and high-throughput (C&HT) approaches are advantageous, since they present the ability to rapidly assess materials properties over large parameter ranges. The NIST Combinatorial Methods Center (NCMC, see www.nist.gov/combi) specializes in the development of quantitative C&HT measurement methods for materials research. In large part, the NCMC concentrates on continuous gradient (CG) combinatorial methods, which involve the fabrication and HT measurement of systems that gradually vary parameters over a single specimen, and which offer an alternative to the (often costly) robotics-driven C&HT paradigm used by the pharmaceutical industry. CG techniques are particularly suited for materials science since they naturally produce thorough maps (e.g. continuous phase diagrams) that relate materials properties to chemical, compositional, physical and processing parameters. This presentation focuses on NCMC research applied to the advancement of polymer-based nanotechnology. Topics to be discussed include CG techniques for the design and optimization of self-assembled systems, ultra-thin films, and intelligent surfaces; and HT methods for measuring thin film morphology and mechanical properties. In addition, the application of CG methods to the advancement of nanometrology, specifically scanned probe microscopy, will be discussed.

  3. A density-adaptive SPH method with kernel gradient correction for modeling explosive welding

    NASA Astrophysics Data System (ADS)

    Liu, M. B.; Zhang, Z. L.; Feng, D. L.

    2017-05-01

    Explosive welding involves processes like the detonation of explosive, impact of metal structures and strong fluid-structure interaction, while the whole process of explosive welding has not been well modeled before. In this paper, a novel smoothed particle hydrodynamics (SPH) model is developed to simulate explosive welding. In the SPH model, a kernel gradient correction algorithm is used to achieve better computational accuracy. A density adapting technique which can effectively treat large density ratio is also proposed. The developed SPH model is firstly validated by simulating a benchmark problem of one-dimensional TNT detonation and an impact welding problem. The SPH model is then successfully applied to simulate the whole process of explosive welding. It is demonstrated that the presented SPH method can capture typical physics in explosive welding including explosion wave, welding surface morphology, jet flow and acceleration of the flyer plate. The welding angle obtained from the SPH simulation agrees well with that from a kinematic analysis.

  4. Method for utilization of oil field waste brine to develop a salt gradient solar pond

    SciTech Connect

    Manning, R. A.; Wisneski, T. P.

    1984-10-30

    A process and method is disclosed for utilizing oil field waste brine to develop and maintain a salt gradient solar pond which in turn provides thermal energy for doing work, including improved separation of oil/brine emulsions into waste brine, crude oil, and natural gas; hot brine from the storage layer of the developed solar pond provides heat to a process heat exchanger which is intended to elevate the temperature of a working fluid such as an emulsion of crude oil and brine coming from producing oil wells prior to a separation process within a conventional heater treater. Waste brine from the crude oil process is utilized to develop and maintain the solar pond rather than simply being disposed.

  5. Accelerated gradient methods for the x-ray imaging of solar flares

    NASA Astrophysics Data System (ADS)

    Bonettini, S.; Prato, M.

    2014-05-01

    In this paper we present new optimization strategies for the reconstruction of x-ray images of solar flares by means of the data collected by the Reuven Ramaty high energy solar spectroscopic imager. The imaging concept of the satellite is based on rotating modulation collimator instruments, which allow the use of both Fourier imaging approaches and reconstruction techniques based on the straightforward inversion of the modulated count profiles. Although in the last decade, greater attention has been devoted to the former strategies due to their very limited computational cost, here we consider the latter model and investigate the effectiveness of different accelerated gradient methods for the solution of the corresponding constrained minimization problem. Moreover, regularization is introduced through either an early stopping of the iterative procedure, or a Tikhonov term added to the discrepancy function by means of a discrepancy principle accounting for the Poisson nature of the noise affecting the data.

  6. Flow instability of a centrifugal pump determined using the energy gradient method

    NASA Astrophysics Data System (ADS)

    Li, Yi; Dong, Wenlong; He, Zhaohui; Huang, Yuanmin; Jiang, Xiaojun

    2015-02-01

    The stability of the centrifugal pump has not been well revealed because of the complexity of internal flow. To analyze the flow characteristics of a centrifugal pump operating at low capacity, methods of numerical simulation and experimental research were adopted in this paper. Characteristics of the inner flow were obtained. Standard k-ɛ turbulence models were used to calculate the inner flow of the pump under off-design conditions. The distribution of the energy gradient function K was obtained by three-dimensional numerical simulation at different flow rates. The relative velocity component was acquired from the absolute velocity obtained in particle image velocimetry. By comparing with experimental results, it was found that flow instability occurs at the position of maximum K. The flow stability reduces with an increasing flow rate. The research results provide a theoretical basis for the optimization design of a centrifugal pump.

  7. A fast nonlinear conjugate gradient based method for 3D concentrated frictional contact problems

    NASA Astrophysics Data System (ADS)

    Zhao, Jing; Vollebregt, Edwin A. H.; Oosterlee, Cornelis W.

    2015-05-01

    This paper presents a fast numerical solver for a nonlinear constrained optimization problem, arising from 3D concentrated frictional shift and rolling contact problems with dry Coulomb friction. The solver combines an active set strategy with a nonlinear conjugate gradient method. One novelty is to consider the tractions of each slip element in a polar coordinate system, using azimuth angles as variables instead of conventional traction variables. The new variables are scaled by the diagonal of the underlying Jacobian. The fast Fourier transform (FFT) technique accelerates all matrix-vector products encountered, exploiting the matrix' Toeplitz structure. Numerical tests demonstrate a significant reduction of the computational time compared to existing solvers for concentrated contact problems.

  8. Preconditioning strategies for nonlinear conjugate gradient methods, based on quasi-Newton updates

    NASA Astrophysics Data System (ADS)

    Andrea, Caliciotti; Giovanni, Fasano; Massimo, Roma

    2016-10-01

    This paper reports two proposals of possible preconditioners for the Nonlinear Conjugate Gradient (NCG) method, in large scale unconstrained optimization. On one hand, the common idea of our preconditioners is inspired to L-BFGS quasi-Newton updates, on the other hand we aim at explicitly approximating in some sense the inverse of the Hessian matrix. Since we deal with large scale optimization problems, we propose matrix-free approaches where the preconditioners are built using symmetric low-rank updating formulae. Our distinctive new contributions rely on using information on the objective function collected as by-product of the NCG, at previous iterations. Broadly speaking, our first approach exploits the secant equation, in order to impose interpolation conditions on the objective function. In the second proposal we adopt and ad hoc modified-secant approach, in order to possibly guarantee some additional theoretical properties.

  9. Method and means for a spatial and temporal probe for laser-generated plumes based on density gradients

    DOEpatents

    Yeung, E.S.; Chen, G.

    1990-05-01

    A method and means are disclosed for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived. 15 figs.

  10. Method and means for a spatial and temporal probe for laser-generated plumes based on density gradients

    DOEpatents

    Yeung, Edward S.; Chen, Guoying

    1990-05-01

    A method and means for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived.

  11. A Simple Method for Noninvasive Quantification of Pressure Gradient Across the Pulmonary Valve

    PubMed Central

    Zhou, Xueying; Xing, Changyang; Feng, Yang; Duan, Yunyou; Zheng, Qiangsun; Wang, Zuojun; Liu, Jie; Cao, Tiesheng; Yuan, Lijun

    2017-01-01

    Pressure gradient across the pulmonary valve (PVPG) is an important hemodynamic variable used in the management of patients with cardiovascular and pulmonary disease. However, a reliable noninvasive method is unavailable. We hypothesized that a progressive Muller maneuver would elicit the pulmonary valve premature opening (PVPO) in diastole and that this event would be detectable by Doppler echocardiography. The intrathoracic pressure (ITP) decrease during this maneuver equals PVPG, which may be assessed with a custom airway pressure measurement device. A total of 102 subjects were enrolled in the study. At the earliest appearance of PVPO, the ITP decrease was recorded as the PVPG. PVPG was also simultaneously measured and compared by other two methods: right heart catheterization in 43 subjects, and routine Doppler echocardiography (pulmonary regurgitation jet) in the other 59 subjects. The results measured by different approaches were compared using the Bland-Altman analysis. PVPG assessed via PVPO showed strong agreement with PVPG measured by catheterization or routine Doppler echocardiography methods, with Lin concordance correlation coefficients of 0.91 and 0.70, respectively. In conclusion, PVPO provides a new noninvasive method of quantification of PVPG. PMID:28198458

  12. A Novel Ultrasonic Method for Characterizing Microstructural Gradients in Tubular Structures

    NASA Technical Reports Server (NTRS)

    Roth, Don J.; Carney, Dorothy V.; Baaklini, George Y.; Bodis, James R.; Rauser, Richard W.

    1998-01-01

    Ultrasonic velocity and time-of-flight (TOF) imaging that uses back surface reflections to gage volumetric material quality is highly suited for quantitative characterization of microstructural gradients including those due to pore fraction, density, fiber fraction, and chemical composition variations. However, a weakness of conventional pulse echo ultrasonic velocity and TOF imaging is that the image shows the effects of thickness as well as microstructural variations, unless the part is uniformly thick. This limits this imaging method's usefulness in practical applications. Prior studies have described a pulse echo TOF based ultrasonic imaging method that requires using a single transducer in combination with a reflector plate placed behind samples which, eliminates the effect of thickness variation in the image. In those studies, this method was successful at isolating ultrasonic variations due to material in plate like samples of silicon nitride, metal matrix composite, and polymer matrix composite. In this study, the method is engineered for inspection of more complex shaped structures- those having (hollow) tubular or curved geometry. The experimental inspection technique and results are described as applied to a polymer matrix composite "proof of concept" tube that contains machined patches of various depths and an as manufactured monolithic silicon nitride ceramic tube that might be used in "real world" applications.

  13. A Simple Method for Noninvasive Quantification of Pressure Gradient Across the Pulmonary Valve.

    PubMed

    Zhou, Xueying; Xing, Changyang; Feng, Yang; Duan, Yunyou; Zheng, Qiangsun; Wang, Zuojun; Liu, Jie; Cao, Tiesheng; Yuan, Lijun

    2017-02-15

    Pressure gradient across the pulmonary valve (PVPG) is an important hemodynamic variable used in the management of patients with cardiovascular and pulmonary disease. However, a reliable noninvasive method is unavailable. We hypothesized that a progressive Muller maneuver would elicit the pulmonary valve premature opening (PVPO) in diastole and that this event would be detectable by Doppler echocardiography. The intrathoracic pressure (ITP) decrease during this maneuver equals PVPG, which may be assessed with a custom airway pressure measurement device. A total of 102 subjects were enrolled in the study. At the earliest appearance of PVPO, the ITP decrease was recorded as the PVPG. PVPG was also simultaneously measured and compared by other two methods: right heart catheterization in 43 subjects, and routine Doppler echocardiography (pulmonary regurgitation jet) in the other 59 subjects. The results measured by different approaches were compared using the Bland-Altman analysis. PVPG assessed via PVPO showed strong agreement with PVPG measured by catheterization or routine Doppler echocardiography methods, with Lin concordance correlation coefficients of 0.91 and 0.70, respectively. In conclusion, PVPO provides a new noninvasive method of quantification of PVPG.

  14. A rapid and scalable density gradient purification method for Plasmodium sporozoites

    PubMed Central

    2012-01-01

    Background Malaria remains a major human health problem, with no licensed vaccine currently available. Malaria infections initiate when infectious Plasmodium sporozoites are transmitted by Anopheline mosquitoes during their blood meal. Investigations of the malaria sporozoite are, therefore, of clear medical importance. However, sporozoites can only be produced in and isolated from mosquitoes, and their isolation results in large amounts of accompanying mosquito debris and contaminating microbes. Methods Here is described a discontinuous density gradient purification method for Plasmodium sporozoites that maintains parasite infectivity in vitro and in vivo and greatly reduces mosquito and microbial contaminants. Results This method provides clear advantages over previous approaches: it is rapid, requires no serum components, and can be scaled to purify >107 sporozoites with minimal operator involvement. Moreover, it can be effectively applied to both human (Plasmodium falciparum, Plasmodium vivax) and rodent (Plasmodium yoelii) infective species with excellent recovery rates. Conclusions This novel method effectively purifies viable malaria sporozoites by greatly reducing contaminating mosquito debris and microbial burdens associated with parasite isolation. Large-scale preparations of purified sporozoites will allow for enhanced in vitro infections, proteomics, and biochemical characterizations. In conjunction with aseptic mosquito rearing techniques, this purification technique will also support production of live attenuated sporozoites for vaccination. PMID:23244590

  15. Semen preparation methods and sperm telomere length: density gradient centrifugation versus the swim up procedure

    PubMed Central

    Zhao, Feifei; Yang, Qingling; Shi, Senlin; Luo, Xiaoyan; Sun, Yingpu

    2016-01-01

    Previous studies have shown that both density gradient centrifugation (DGC) and swim up (SU) procedures can select spermatozoa with longer telomeres for assisted reproduction techniques (ART). However, it is unknown which approach is more effective. The aim of the present study was to compare the effects of these two methods on sperm telomere length (STL). A total of 150 normozoospermic subjects were recruited. STL, DNA fragmentation index (DFI), reactive oxygen species (ROS) content and progressive motility of semen samples were detected before and after the procedures of DGC and SU. When compared to raw semen, the average length of sperm telomeres was significantly longer after the two sperm preparation methods. However, no significant difference was found between the DGC and SU procedures. We also found that semen prepared by the two methods had lower DNA fragmentation, ROS content and sperm progressive motility. However, no significant difference was found in those parameters between the two procedures. This is the first study that compares the effects of the DGC and SU procedures on STL, and the results show that both methods can recover a sperm population with longer STL and better DNA integrity for ART. PMID:27958357

  16. An adaptive multiresolution gradient-augmented level set method for advection problems

    NASA Astrophysics Data System (ADS)

    Schneider, Kai; Kolomenskiy, Dmitry; Nave, Jean-Chtristophe

    2014-11-01

    Advection problems are encountered in many applications, such as transport of passive scalars modeling pollution or mixing in chemical engineering. In some problems, the solution develops small-scale features localized in a part of the computational domain. If the location of these features changes in time, the efficiency of the numerical method can be significantly improved by adapting the partition dynamically to the solution. We present a space-time adaptive scheme for solving advection equations in two space dimensions. The third order accurate gradient-augmented level set method using a semi-Lagrangian formulation with backward time integration is coupled with a point value multiresolution analysis using Hermite interpolation. Thus locally refined dyadic spatial grids are introduced which are efficiently implemented with dynamic quad-tree data structures. For adaptive time integration, an embedded Runge-Kutta method is employed. The precision of the new fully adaptive method is analysed and speed up of CPU time and memory compression with respect to the uniform grid discretization are reported.

  17. Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient.

    PubMed

    Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; Solonenko, Sergei A; Rich, Virginia I; Sullivan, Matthew B

    2016-01-01

    Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types of high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g(-1) of soil than other methods tested. All method combinations yielded VLPs g(-1) of soil on the 10(8) order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g(-1) of soil among the soil types. This research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies.

  18. Mixed gradient-Tikhonov methods for solving nonlinear ill-posed problems in Banach spaces

    NASA Astrophysics Data System (ADS)

    Margotti, Fábio

    2016-12-01

    Tikhonov regularization is a very useful and widely used method for finding stable solutions of ill-posed problems. A good choice of the penalization functional as well as a careful selection of the topologies of the involved spaces is fundamental to the quality of the reconstructions. These choices can be combined with some a priori information about the solution in order to preserve desired characteristics like sparsity constraints for example. To prove convergence and stability properties of this method, one usually has to assume that a minimizer of the Tikhonov functional is known. In practical situations however, the exact computation of a minimizer is very difficult and even finding an approximation can be a very challenging and expensive task if the involved spaces have poor convexity or smoothness properties. In this paper we propose a method to attenuate this gap between theory and practice, applying a gradient-like method to a Tikhonov functional in order to approximate a minimizer. Using only available information, we explicitly calculate a maximal step-size which ensures a monotonically decreasing error. The resulting algorithm performs only finitely many steps and terminates using the discrepancy principle. In particular the knowledge of a minimizer or even its existence does not need to be assumed. Under standard assumptions, we prove convergence and stability results in relatively general Banach spaces, and subsequently, test its performance numerically, reconstructing conductivities with sparsely located inclusions and different kinds of noise in the 2D electrical impedance tomography.

  19. Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient

    PubMed Central

    Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; Solonenko, Sergei A.

    2016-01-01

    Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types of high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g−1 of soil than other methods tested. All method combinations yielded VLPs g−1 of soil on the 108 order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g−1 of soil among the soil types. This research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies. PMID:27231649

  20. A constrained-gradient method to control divergence errors in numerical MHD

    NASA Astrophysics Data System (ADS)

    Hopkins, Philip F.

    2016-10-01

    In numerical magnetohydrodynamics (MHD), a major challenge is maintaining nabla \\cdot {B}=0. Constrained transport (CT) schemes achieve this but have been restricted to specific methods. For more general (meshless, moving-mesh, ALE) methods, `divergence-cleaning' schemes reduce the nabla \\cdot {B} errors; however they can still be significant and can lead to systematic errors which converge away slowly. We propose a new constrained gradient (CG) scheme which augments these with a projection step, and can be applied to any numerical scheme with a reconstruction. This iteratively approximates the least-squares minimizing, globally divergence-free reconstruction of the fluid. Unlike `locally divergence free' methods, this actually minimizes the numerically unstable nabla \\cdot {B} terms, without affecting the convergence order of the method. We implement this in the mesh-free code GIZMO and compare various test problems. Compared to cleaning schemes, our CG method reduces the maximum nabla \\cdot {B} errors by ˜1-3 orders of magnitude (˜2-5 dex below typical errors if no nabla \\cdot {B} cleaning is used). By preventing large nabla \\cdot {B} at discontinuities, this eliminates systematic errors at jumps. Our CG results are comparable to CT methods; for practical purposes, the nabla \\cdot {B} errors are eliminated. The cost is modest, ˜30 per cent of the hydro algorithm, and the CG correction can be implemented in a range of numerical MHD methods. While for many problems, we find Dedner-type cleaning schemes are sufficient for good results, we identify a range of problems where using only Powell or `8-wave' cleaning can produce order-of-magnitude errors.

  1. Reduction of lateritic iron ore briquette using coal bed reductant by isothermal - temperature gradient method

    NASA Astrophysics Data System (ADS)

    Zulhan, Zulfiadi; Himawan, David Mangatur; Dimyati, Arbi

    2017-01-01

    In this study, isothermal-temperature gradient method was used to separate iron and alumina in lateritic iron ore as an alternative technique. The lateritic iron ore was ground to obtain grain size of less than 200 mesh and agglomerated in the form of cylindrical briquette using a press machine. The iron oxide in the briquette was reduced by addition of coal so that all surface of the briquette was covered by the coal. The temperature profile for the reduction process of the briquette was divided into three stages: the first stage was isothermal at 1000°C, the second stage was temperature gradient at varies heating rate of 5, 6.67 and 8.33°C/minutes from 1000 to 1400°C, and the final stage was isothermal at 1400°C. The effect of dehydroxylation of lateritic iron ore was studied as well. Aluminum distribution inside and outside the briquette was analyzed by scanning electron microscope with energy dispersive spectroscopy (SEM-EDS). The analysis results showed that the aluminum content increased from 8.01% at the outside of the briquette to 13.12% in the inside of the briquette. On contrary, iron content is higher at the outside of the briquette compared to that in the inside. These phenomena indicated that aluminum tends to migrate into the center of the briquette while iron moves outward to the surface of briquette. Furthermore, iron metallization of 91.03% could be achieved in the case of without dehydroxylation treatment. With the dehydroxylation treatment, iron metallization degree was increased up to 95.27%.

  2. A new method of edge detection based on the total horizontal derivative and the modulus of full tensor gravity gradient

    NASA Astrophysics Data System (ADS)

    Wu, Heyu; Li, Lu; Xing, Congcong; Zhang, Shuang

    2017-04-01

    With the rapid development of gravity gradient measurement, the full tensor gravity gradient data has been used more and more frequently in the edge detection. This article focuses on the problem that the effect of edge detection of deep geological body is not clear and false edges among positive and negative anomalies using the common edge detection method. We present a new edge detection method which is based on the total horizontal derivative and the modulus of full tensor gravity gradient. Comparing with the model experiments, it is proved that this method is clearer and more accurate in detecting the edges of geological body especially for the deep model with almost no false edge interference. Finally, the method is applied to the processing of the actual data in St. Georges Bay, Canada, and the edge results are satisfying.

  3. Analytical energy gradient based on spin-free infinite-order Douglas-Kroll-Hess method with local unitary transformation.

    PubMed

    Nakajima, Yuya; Seino, Junji; Nakai, Hiromi

    2013-12-28

    In this study, the analytical energy gradient for the spin-free infinite-order Douglas-Kroll-Hess (IODKH) method at the levels of the Hartree-Fock (HF), density functional theory (DFT), and second-order Møller-Plesset perturbation theory (MP2) is developed. Furthermore, adopting the local unitary transformation (LUT) scheme for the IODKH method improves the efficiency in computation of the analytical energy gradient. Numerical assessments of the present gradient method are performed at the HF, DFT, and MP2 levels for the IODKH with and without the LUT scheme. The accuracies are examined for diatomic molecules such as hydrogen halides, halogen dimers, coinage metal (Cu, Ag, and Au) halides, and coinage metal dimers, and 20 metal complexes, including the fourth-sixth row transition metals. In addition, the efficiencies are investigated for one-, two-, and three-dimensional silver clusters. The numerical results confirm the accuracy and efficiency of the present method.

  4. Gradient-augmented hybrid interface capturing method for incompressible two-phase flow

    NASA Astrophysics Data System (ADS)

    Zheng, Fu; Shi-Yu, Wu; Kai-Xin, Liu

    2016-06-01

    Motivated by inconveniences of present hybrid methods, a gradient-augmented hybrid interface capturing method (GAHM) is presented for incompressible two-phase flow. A front tracking method (FTM) is used as the skeleton of the GAHM for low mass loss and resources. Smooth eulerian level set values are calculated from the FTM interface, and are used for a local interface reconstruction. The reconstruction avoids marker particle redistribution and enables an automatic treatment of interfacial topology change. The cubic Hermit interpolation is employed in all steps of the GAHM to capture subgrid structures within a single spacial cell. The performance of the GAHM is carefully evaluated in a benchmark test. Results show significant improvements of mass loss, clear subgrid structures, highly accurate derivatives (normals and curvatures) and low cost. The GAHM is further coupled with an incompressible multiphase flow solver, Super CE/SE, for more complex and practical applications. The updated solver is evaluated through comparison with an early droplet research. Project supported by the National Natural Science Foundation of China (Grant Nos. 10972010, 11028206, 11371069, 11372052, 11402029, and 11472060), the Science and Technology Development Foundation of China Academy of Engineering Physics (CAEP), China (Grant No. 2014B0201030), and the Defense Industrial Technology Development Program of China (Grant No. B1520132012).

  5. Development of a temperature gradient focusing method for in situ extraterrestrial biomarker analysis.

    PubMed

    Danger, Grégoire; Ross, David

    2008-08-01

    Scanning temperature gradient focusing (TGF) is a recently described technique for the simultaneous concentration and separation of charged analytes. It allows for high analyte peak capacities and low LODs in microcolumn electrophoretic separations. In this paper, we present the application of scanning TGF for chiral separations of amino acids. Using a mixture of seven carboxyfluorescein succinimidyl ester-labeled amino acids (including five chiral amino acids) which constitute the Mars7 standard, we show that scanning TGF is a very simple and efficient method for chiral separations. The modulation of TGF separation parameters (temperature window, pressure scan rate, temperature range, and chiral selector concentration) allows optimization of peak efficiencies and analyte resolutions. The use of hydroxypropyl-beta-CD at low concentration (1-5 mmol/L) as a chiral selector, with an appropriate pressure scan rate ( -0.25 Pa/s) and with a low temperature range (3-25 degrees C over 1 cm) provided high resolution between enantiomers (Rs >1.5 for each pair of enantiomers) using a short, 4 cm long capillary. With these new results, the scanning TGF method appears to be a viable method for in situ trace biomarker analysis for future missions to Mars or other solar system bodies.

  6. Direct measurement of sub-surface mass change using the variable-baseline gravity gradient method

    USGS Publications Warehouse

    Kennedy, Jeffrey; Ferré, Ty P. A.; Güntner, Andreas; Abe, Maiko; Creutzfeldt, Benjamin

    2014-01-01

    Time-lapse gravity data provide a direct, non-destructive method to monitor mass changes at scales from cm to km. But, the effectively infinite spatial sensitivity of gravity measurements can make it difficult to isolate the signal of interest. The variable-baseline gravity gradient method, based on the difference of measurements between two gravimeters, is an alternative to the conventional approach of individually modeling all sources of mass and elevation change. This approach can improve the signal-to-noise ratio for many applications by removing the contributions of Earth tides, loading, and other signals that have the same effect on both gravimeters. At the same time, this approach can focus the support volume within a relatively small user-defined region of the subsurface. The method is demonstrated using paired superconducting gravimeters to make for the first time a large-scale, non-invasive measurement of infiltration wetting front velocity and change in water content above the wetting front.

  7. Structure optimization via free energy gradient method: Application to glycine zwitterion in aqueous solution

    NASA Astrophysics Data System (ADS)

    Okuyama-Yoshida, Naoto; Kataoka, Ken; Nagaoka, Masataka; Yamabe, Tokio

    2000-09-01

    The free energy gradient method was applied to the multidimensional geometry optimization of glycine zwitterion (ZW) in aqueous solution in order not only to demonstrate its applicability, but also to examine its efficiency. The method utilizes force on the free energy surface that can be directly calculated by the molecular dynamics method and the free energy perturbation theory. Then, the most stable ZW structure in aqueous solution was obtained within the tolerance assumed, and it was found that the free energy (FE) and enthalpy changes of stabilization from the initial geometry optimized in the gas phase are -0.9 and -3.5 kcal/mol, respectively, and the amino and carboxyl groups are spatially separated by each other due to their solvating with water molecules. Comparing the contributions of enthalpy and entropy to FE, the former is attributed to the main origin of FE stabilization during the optimization procedure, and it was found that solvation entropy prevents water molecules from solvating the ZW more strongly.

  8. Highly durable superhydrophobic coatings with gradient density by movable spray method

    NASA Astrophysics Data System (ADS)

    Tenjimbayashi, Mizuki; Shiratori, Seimei

    2014-09-01

    Superhydrophobic surface is expected to be applied in anti-fouling, anti-icing, and anti-bacterial. However, practical use is interrupted by low mechanical strength, time-consuming process, and limited coating substrate. Here highly durable superhydrophobic coatings were prepared by simple and novel spraying method, which sprays with changing the "spray distance between substrate and spray" (SD), named "movable spray method." We prepared the solution that changes wettability and durability with spraying distance by mixing SiO2 nanoparticles and ethyl alpha cyanoacrylate polymer (EAC). Then, we evaluated the chemical components and surface morphologies of each spraying distance coatings (0 ˜ 50 cm) by XPS, SEM, and laser scanning microscope. It revealed that surface roughness and SiO2/EAC ratio increased as the SD increases. Thus, durable superhydrophobic coatings were designed by spraying with increasing SD gradually. Glow discharge-optical emission spectrometry analysis revealed that designed coatings showed the gradual increase of SiO2/EAC ratio. As a result, coatings prepared on glass, wood, or aluminum substrates maintained their superhydrophobicity up to the abrasion at 40 kPa. This movable spray method is simple coating by the wet process and prepares robust hydrophobic coating on complex shape and large area substrates. The gradient functional surface was found to have mechanical durability and superhydrophobicity, and wide area applications will be expected.

  9. Application of augmented-Lagrangian methods in meteorology: Comparison of different conjugate-gradient codes for large-scale minimization

    NASA Technical Reports Server (NTRS)

    Navon, I. M.

    1984-01-01

    A Lagrange multiplier method using techniques developed by Bertsekas (1982) was applied to solving the problem of enforcing simultaneous conservation of the nonlinear integral invariants of the shallow water equations on a limited area domain. This application of nonlinear constrained optimization is of the large dimensional type and the conjugate gradient method was found to be the only computationally viable method for the unconstrained minimization. Several conjugate-gradient codes were tested and compared for increasing accuracy requirements. Robustness and computational efficiency were the principal criteria.

  10. Application of augmented-Lagrangian methods in meteorology: Comparison of different conjugate-gradient codes for large-scale minimization

    NASA Technical Reports Server (NTRS)

    Navon, I. M.

    1984-01-01

    A Lagrange multiplier method using techniques developed by Bertsekas (1982) was applied to solving the problem of enforcing simultaneous conservation of the nonlinear integral invariants of the shallow water equations on a limited area domain. This application of nonlinear constrained optimization is of the large dimensional type and the conjugate gradient method was found to be the only computationally viable method for the unconstrained minimization. Several conjugate-gradient codes were tested and compared for increasing accuracy requirements. Robustness and computational efficiency were the principal criteria.

  11. Flux measurements of volatile organic compounds at SMEAR II using surface layer gradient method

    NASA Astrophysics Data System (ADS)

    Rantala, P.; Taipale, R.; Ruuskanen, T. M.; Aalto, J.; Kajos, M. K.; Patokoski, J.; Schallhart, S.; Rinne, J.

    2012-04-01

    Volatile organic compounds (VOCs) are mostly emitted into atmosphere from natural sources. Some of the compounds, such as monoterpenes, are highly reactive and seem to have major contributions to aerosol particle formation and growth, thus these compounds are also connected to the global climate change. Approximately 50 % of the biogenic emissions is coming from the tropical rain forests, 15-20 % from the boreal forests and the rest from the other sources like fields and oceans. In order to understand seasonal and interannual changes in VOC emissions long term emission measurements would be of great importance. However, long-term VOC emission measurements are extremely sparse. Our aim is to develop reliable and feasible method to measure ecosystem scale VOC emissions by micrometeorological methods. In the past decade the disjunct eddy covariance method with proton transfer reaction quadrupole mass spectrometry (DEC/PTR-QMS) has been the method of choise for VOC flux measurements. However, automatically data post-processing, crucial for long term measurement, remains a challenge, especially in low flux conditions. To by-pass these problems we can apply a surface layer gradient technique with PTR-QMS (SLG/PTR-QMS) for long term VOC flux measurements. In this technique fluxes are obtained using measured vertical profiles on VOC concentrations with Monin-Obukhov similarity theory. Albeit more indirect method than DEC, this classical method holds promise for long term measurement. The measurements wer conducted in Hyytiälä at SMEAR II station (61° 51' N, 24° 17' E, 180 m a.m.s.l.) since summer 2010. Hyytiälä represents a typical boreal region with clear snow covered winters and annual average temperature has been approximately 3.3°C. Clear cumulative positive flux of methanol, acetaldehyde, ethanol/formic acid, acetone, MBO-fragment/isoprene, and monoterpenes were observed.

  12. A new family of Polak-Ribiere-Polyak conjugate gradient method with the strong-Wolfe line search

    NASA Astrophysics Data System (ADS)

    Ghani, Nur Hamizah Abdul; Mamat, Mustafa; Rivaie, Mohd

    2017-08-01

    Conjugate gradient (CG) method is an important technique in unconstrained optimization, due to its effectiveness and low memory requirements. The focus of this paper is to introduce a new CG method for solving large scale unconstrained optimization. Theoretical proofs show that the new method fulfills sufficient descent condition if strong Wolfe-Powell inexact line search is used. Besides, computational results show that our proposed method outperforms to other existing CG methods.

  13. Calculation of the magnetic gradient tensor from total magnetic anomaly field based on regularized method in frequency domain

    NASA Astrophysics Data System (ADS)

    Yin, Gang; Zhang, Yingtang; Mi, Songlin; Fan, Hongbo; Li, Zhining

    2016-11-01

    To obtain accurate magnetic gradient tensor data, a fast and robust calculation method based on regularized method in frequency domain was proposed. Using the potential field theory, the transform formula in frequency domain was deduced in order to calculate the magnetic gradient tensor from the pre-existing total magnetic anomaly data. By analyzing the filter characteristics of the Vertical vector transform operator (VVTO) and Gradient tensor transform operator (GTTO), we proved that the conventional transform process was unstable which would zoom in the high-frequency part of the data in which measuring noise locate. Due to the existing unstable problem that led to a low signal-to-noise (SNR) for the calculated result, we introduced regularized method in this paper. By selecting the optimum regularization parameters of different transform phases using the C-norm approach, the high frequency noise was restrained and the SNR was improved effectively. Numerical analysis demonstrates that most value and characteristics of the calculated data by the proposed method compare favorably with reference magnetic gradient tensor data. In addition, calculated magnetic gradient tensor components form real aeromagnetic survey provided better resolution of the magnetic sources and original profile.

  14. Analytical energy gradient for the two-component normalized elimination of the small component method

    SciTech Connect

    Zou, Wenli; Filatov, Michael; Cremer, Dieter

    2015-06-07

    The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg{sub 2} and Cn{sub 2}, which are due to the admixture of more bonding character to the highest occupied spinors.

  15. Comparison of Aura MLS stratospheric chemical gradients with north polar vortex edges calculated by two methods

    NASA Astrophysics Data System (ADS)

    Meek, C. E.; Manson, A. H.; Drummond, J. R.

    2017-10-01

    The edge of the winter polar vortex is thought to isolate chemistry between inside and outside. A way to test how accurately it is estimated is to examine chemical mixing ratios along a path that crosses its edge. Two edge methods are tested, one is the ;Q-edge; (Harvey et al., 2002), which chooses a specific streamline; the other is scaled potential vorticity, ;sPV;, which identifies an inner and outer edge depending on the local value of potential vorticity scaled according to the static stability (Manney et al., 1994). Aura MLS mixing ratios show that, statistically overall, sPV edge area agrees better with the N2O mixing ratio gradient below ∼700 K, albeit with more scatter. Finally direct comparison statistics on a few 10 day winter intervals show that the Q-edge is usually outside the sPV outer edge below potential temperature levels ∼400-500 K, agrees up to ∼700 K, and inside to ∼1200 K. Above that, both methods tend to agree again.

  16. Conjugate gradient and approximate Newton methods for an optimal probablilistic neural network for food color classification

    NASA Astrophysics Data System (ADS)

    Chtioui, Younes; Panigrahi, Suranjan; Marsh, Ronald A.

    1998-11-01

    The probabilistic neural network (PNN) is based on the estimation of the probability density functions. The estimation of these density functions uses smoothing parameters that represent the width of the activation functions. A two-step numerical procedure is developed for the optimization of the smoothing parameters of the PNN: a rough optimization by the conjugate gradient method and a fine optimization by the approximate Newton method. The thrust is to compare the classification performances of the improved PNN and the standard back-propagation neural network (BPNN). Comparisons are performed on a food quality problem: french fry classification into three different color classes (light, normal, and dark). The optimized PNN correctly classifies 96.19% of the test data, whereas the BPNN classifies only 93.27% of the same data. Moreover, the PNN is more stable than the BPNN with regard to the random initialization. The optimized PNN requires 1464 s for training compared to only 71 s required by the BPNN.

  17. Ptychographic overlap constraint errors and the limits of their numerical recovery using conjugate gradient descent methods.

    PubMed

    Tripathi, Ashish; McNulty, Ian; Shpyrko, Oleg G

    2014-01-27

    Ptychographic coherent x-ray diffractive imaging is a form of scanning microscopy that does not require optics to image a sample. A series of scanned coherent diffraction patterns recorded from multiple overlapping illuminated regions on the sample are inverted numerically to retrieve its image. The technique recovers the phase lost by detecting the diffraction patterns by using experimentally known constraints, in this case the measured diffraction intensities and the assumed scan positions on the sample. The spatial resolution of the recovered image of the sample is limited by the angular extent over which the diffraction patterns are recorded and how well these constraints are known. Here, we explore how reconstruction quality degrades with uncertainties in the scan positions. We show experimentally that large errors in the assumed scan positions on the sample can be numerically determined and corrected using conjugate gradient descent methods. We also explore in simulations the limits, based on the signal to noise of the diffraction patterns and amount of overlap between adjacent scan positions, of just how large these errors can be and still be rendered tractable by this method.

  18. A universal parameterized gradient-based method for photon beam field size determination.

    PubMed

    Lebron, Sharon; Yan, Guanghua; Li, Jonathan; Lu, Bo; Liu, Chihray

    2017-09-09

    To propose a universal, parameterized gradient-based method (PGM) for radiation field size determination. The PGM locates the beam profile's edge by parameterizing its penumbra region with a modified sigmoid function where the inflection point can be determined in a closed form. The parametrization was validated with filter-flattened (FF), flattening-filter-free (FFF) and wedged profiles measured on two Elekta linac models (Synergy and Versa HD). Gamma analysis with the delta dose function set to zero was used to quantitatively assess the parameterization accuracy. Field sizes of FF beams were calculated with the PGM and the full width at half maximum (FWHM) methods for comparison. To assess the consistency of the PGM and the FWHM method with geometric scaling across different depths, the calculated field size at a reference depth was scaled to other depths and compared with the field sizes calculated from the measured profiles. The method was also validated against a maximum-slope method (MSM) with wedge and FFF profiles. We also evaluated the robustness of the three methods with respect to measurement noise, varying scanning step sizes, detector characteristics and beam energy/modality. Small distance-to-agreement (0.02±0.02 mm) between the measured and parameterized penumbra region was observed for all profiles. The differences between the field sizes calculated with the FWHM method and the PGM were consistent (0.9±0.3 mm), with the FWHM method yielding larger values. With geometrical scaling, the PGM and the FWHM method produced maximum differences of 0.26 and 1.16 mm, respectively. For wedge and FFF beams, the mean differences relative to FF fields were 0.15±0.09 mm and 0.57±0.91 mm for the PGM and the MSM, respectively. The PGM was also found to produce more consistent results than the FWHM method and the MSM when measurement noise, scanning step size, detector characteristics and beam energy/modality changed. The proposed PGM is universally applicable to

  19. Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient

    DOE PAGES

    Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; ...

    2016-05-17

    Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types ofmore » high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g–1of soil than other methods tested. All method combinations yielded VLPs g–1of soil on the 108order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g–1of soil among the soil types. In conclusion, this research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies.« less

  20. Optimization of viral resuspension methods for carbon-rich soils along a permafrost thaw gradient

    SciTech Connect

    Trubl, Gareth; Solonenko, Natalie; Chittick, Lauren; Solonenko, Sergei A.; Rich, Virginia I.; Sullivan, Matthew B.

    2016-05-17

    Permafrost stores approximately 50% of global soil carbon (C) in a frozen form; it is thawing rapidly under climate change, and little is known about viral communities in these soils or their roles in C cycling. In permafrost soils, microorganisms contribute significantly to C cycling, and characterizing them has recently been shown to improve prediction of ecosystem function. In other ecosystems, viruses have broad ecosystem and community impacts ranging from host cell mortality and organic matter cycling to horizontal gene transfer and reprogramming of core microbial metabolisms. Here we developed an optimized protocol to extract viruses from three types of high organic-matter peatland soils across a permafrost thaw gradient (palsa, moss-dominated bog, and sedge-dominated fen). Three separate experiments were used to evaluate the impact of chemical buffers, physical dispersion, storage conditions, and concentration and purification methods on viral yields. The most successful protocol, amended potassium citrate buffer with bead-beating or vortexing and BSA, yielded on average as much as 2-fold more virus-like particles (VLPs) g–1of soil than other methods tested. All method combinations yielded VLPs g–1of soil on the 108order of magnitude across all three soil types. The different storage and concentration methods did not yield significantly more VLPs g–1of soil among the soil types. In conclusion, this research provides much-needed guidelines for resuspending viruses from soils, specifically carbon-rich soils, paving the way for incorporating viruses into soil ecology studies.

  1. Biogenic volatile organic compound emissions during BEARPEX 2009 measured by eddy covariance and flux-gradient similarity methods

    NASA Astrophysics Data System (ADS)

    Park, J.-H.; Fares, S.; Weber, R.; Goldstein, A. H.

    2014-01-01

    The Biosphere Effects on AeRosols and Photochemistry EXperiment (BEARPEX) took place in Blodgett Forest, a Ponderosa pine forest in the Sierra Nevada of California, USA, during summer 2009. We deployed a proton transfer reaction-quadrupole mass spectrometer (PTR-QMS) to measure fluxes and concentrations of biogenic volatile organic compounds (BVOCs). Eighteen ion species, including the major BVOC expected at the site, were measured sequentially at 5 heights to observe their vertical gradient from the forest floor to above the canopy. Fluxes of the 3 dominant BVOCs methanol, 2-Methyl-3-butene-2-ol (MBO), and monoterpenes were measured above the canopy by the disjunct eddy covariance (EC) method. Canopy-scale fluxes were also determined by the flux-gradient similarity method (K-theory). A universal K (Kuniv) was determined as the mean of individual K's calculated from the measured fluxes divided by vertical gradients for methanol, MBO, and monoterpenes. This Kuniv was then multiplied by the gradients of each observed ion species to compute their fluxes. The flux-gradient similarity method showed very good agreement with the disjunct EC method. Fluxes are presented for all measured species and compared to historical measurements from the same site, and used to test emission algorithms used to model fluxes at the regional scale. MBO was the dominant emission observed, followed by methanol, monoterpenes, acetone, and acetaldehyde. The flux-gradient similarity method is shown to be tenable, and we recommend its use, especially in experimental conditions when fast measurement of BVOC species is not available.

  2. Method of diffusive gradients in thin films (DGT) compared with other soil testing methods to predict uranium phytoavailability.

    PubMed

    Vandenhove, H; Antunes, K; Wannijn, J; Duquène, L; Van Hees, M

    2007-02-15

    The measurement of diffusive gradients in thin films (DGT) has been proposed as a surrogate for metal uptake by plants. A small-scale experiment was performed to test the predictive capacity of the DGT method with respect to uranium availability and uptake by ryegrass. Correlation analyses were performed to compare the results obtained with the DGT device with more conventional bioavailability indices - concentration of uranium in pore water or in selective extracts. Six soils with different uranium contamination history and with distinct soil characteristics were used for the availability tests and the uptake experiment. The four uranium bioavailability indices screened were highly correlated, indicating that at least partially comparable uranium pools were assessed. The uranium concentration in the pore water was a better predictor for uranium uptake by ryegrass than amounts of uranium recovered following extraction with 0.11 M CH3COOH or 0.4 M MgCl2, the fractions considered exchangeable according to, respectively, the BCR or NIST standardized sequential extraction methods. The DGT measured concentration, C(DGT), was also highly correlated with plant uptake but the significance level was sensitive to the value of the diffusion coefficient (pH depend or not) used to calculate C(DGT). From the results obtained it could not be concluded that the DGT method would have an additional value in assessing uranium bioavailability.

  3. On the constrained minimization of smooth Kurdyka—Łojasiewicz functions with the scaled gradient projection method

    NASA Astrophysics Data System (ADS)

    Prato, Marco; Bonettini, Silvia; Loris, Ignace; Porta, Federica; Rebegoldi, Simone

    2016-10-01

    The scaled gradient projection (SGP) method is a first-order optimization method applicable to the constrained minimization of smooth functions and exploiting a scaling matrix multiplying the gradient and a variable steplength parameter to improve the convergence of the scheme. For a general nonconvex function, the limit points of the sequence generated by SGP have been proved to be stationary, while in the convex case and with some restrictions on the choice of the scaling matrix the sequence itself converges to a constrained minimum point. In this paper we extend these convergence results by showing that the SGP sequence converges to a limit point provided that the objective function satisfies the Kurdyka-Łojasiewicz property at each point of its domain and its gradient is Lipschitz continuous.

  4. Vision system for classification of metallic tokens using the selective stereo gradient method

    NASA Astrophysics Data System (ADS)

    Adameck, Markus; Hossfeld, Michael; Eich, Manfred

    2002-03-01

    This paper presents a vision system whose purpose is to detect topographies of high reflective, metallic surfaces of minted tokens. We call this technique 'Selective Stereo Gradient Method' (SSGM). The objective is to decide whether the token belongs to a reference class or not. The most important property of the SSGM is that the classification can not be deceived by a photographic image and hence yields high fraud protection. To achieve this a 3 sector 120# LED illumination is used for generating three images under different illumination directions. The comparison between these three sequentially taken images leads to a discrimination between a real object with 3 D topography and a photographic image. The experimental setup and special illumination conditions are described. Rotation and translation invariance of the recognition and classification process are implemented. This is achieved by image transformation into a suitable coordinate system. A specimen will be identified to belong to the class of interest if, in a subsequent template matching step, selected patterns taken from the class reference object, can be successfully identified. If a first pattern is found additional patterns will be searched for. The classification statistics results will be reported for metallic tokens.

  5. Solving groundwater flow problems by conjugate-gradient methods and the strongly implicit procedure

    USGS Publications Warehouse

    Hill, Mary C.

    1990-01-01

    The performance of the preconditioned conjugate-gradient method with three preconditioners is compared with the strongly implicit procedure (SIP) using a scalar computer. The preconditioners considered are the incomplete Cholesky (ICCG) and the modified incomplete Cholesky (MICCG), which require the same computer storage as SIP as programmed for a problem with a symmetric matrix, and a polynomial preconditioner (POLCG), which requires less computer storage than SIP. Although POLCG is usually used on vector computers, it is included here because of its small storage requirements. In this paper, published comparisons of the solvers are evaluated, all four solvers are compared for the first time, and new test cases are presented to provide a more complete basis by which the solvers can be judged for typical groundwater flow problems. Based on nine test cases, the following conclusions are reached: (1) SIP is actually as efficient as ICCG for some of the published, linear, two-dimensional test cases that were reportedly solved much more efficiently by ICCG; (2) SIP is more efficient than other published comparisons would indicate when common convergence criteria are used; and (3) for problems that are three-dimensional, nonlinear, or both, and for which common convergence criteria are used, SIP is often more efficient than ICCG, and is sometimes more efficient than MICCG.

  6. A Novel Method Of Gradient Forming and Fluid Manipulation in Reduced Gravity Environments

    NASA Technical Reports Server (NTRS)

    Ramachandran N.; Leslie, F.

    1999-01-01

    The use of magnetic fields to control the motion and position of non-conducting liquids has received growing interest in recent times. The possibility of using the forces exerted by a nonuniform magnetic field on a ferrofluid to not only achieve fluid manipulation but also to actively control fluid motion makes it an attractive candidate for applications such as heat transfer in space systems. Terrestrial heat transfer equipment often relies on the normal gravitational force to hold liquid in a desired position or to provide a buoyant force to enhance the heat transfer rate. The residual gravitational force present in a space environment may no longer serve these useful functions and other forces, such as surface tension, can play a significant role in determining heat transfer rates. Although typically overwhelmed by gravitational forces in terrestrial applications, the body force induced in a ferrofluid by a nonuniform magnetic field can help to achieve these objectives in a microgravity environment. This paper will address the fluid manipulation aspect and will comprise of results from model fluid experiments and numerical modeling of the problem. Results from a novel method of forming concentration gradients that are applicable to low gravity applications will be presented. The ground based experiments are specifically tailored to demonstrate the magnetic manipulation capability of a ferrofluid and show that gravitational effects can be countered in carefully designed systems. The development of governing equations for the system will be presented along with a sampling of numerical results.

  7. Synthesis and crystal growth of Mg2Si by the liquid encapsulated vertical gradient freezing method

    NASA Astrophysics Data System (ADS)

    Nakagawa, Reo; Katsumata, Hiroshi; Hashimoto, Satoshi; Sakuragi, Shiro

    2015-08-01

    The synthesis of Mg2Si bulk crystals was performed by the vertical gradient freezing method using a KCl-MgCl2 eutectic liquid encapsulant. Stoichiometric polycrystalline Mg2Si bulk crystals were successfully grown by changing the composition ratio of starting Mg and Si powders (Mg/Si) from 2.0 to 3.5. A chemical reaction between Mg2Si and the crucible materials was inhibited using encapsulant materials, and the contamination by K or Cl originating from the encapsulant materials was not detected in almost all the samples. However, Mg evaporation could not be prevented completely during the synthesis and crystal growth. The optical band-gap energy of Mg2Si bulk crystals became minimal (0.79 eV) at a Mg/Si ratio of 2.5, at which the maximum electron mobility of 202 cm2·V-1·s-1 was obtained. These results indicate that the composition ratio of Mg/Si = 2.5 for starting Mg and Si powders was optimal for synthesizing Mg2Si bulk crystals with high crystalline quality.

  8. Recovery of Manganese Ore Tailings by High-Gradient Magnetic Separation and Hydrometallurgical Method

    NASA Astrophysics Data System (ADS)

    Zhang, Xiufeng; Tan, Xiumin; Yi, Yuejun; Liu, Weizao; Li, Chun

    2017-08-01

    With the depletion of high-grade manganese ores, Mn ore tailings are considered valuable secondary resources. In this study, a process combining high-gradient magnetic separation (HGMS) with hydrometallurgical methods is proposed to recycle fine-grained Mn tailings. The Mn tailings were treated by HGMS at 12,500 G to obtain a Mn concentrate of 30% Mn with the recovery efficiency of 64%. The Mn concentrate could be used in the ferromanganese industry. To recover Mn further, the nonmagnetic fraction was leached by SO2 in an H2SO4 solution. Hydrogen peroxide was added to the leachate to oxidize Fe2+ to Fe3+, and the solution pH was adjusted to 5.0-5.5 with ammonia to remove Al, Fe, and Si impurities. The purified solution was reacted with NH4HCO3, and a saleable product of MnCO3 with 97.9% purity was obtained. The combined process can be applied to Mn recovery from finely dispersed weakly magnetic Mn ores or tailings.

  9. Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116

    NASA Astrophysics Data System (ADS)

    van Wüllen, Christoph; Langermann, Norbert

    2007-03-01

    The authors report the implementation of geometry gradients for quasirelativistic two-component Hartree-Fock and density functional methods using either the zero-order regular approximation Hamiltonian or spin-dependent effective core potentials. The computational effort of the resulting program is comparable to that of corresponding nonrelativistic calculations, as it is dominated by the evaluation of derivative two-electron integrals, which is the same for both types of calculations. Besides the implementation of derivatives of matrix elements of the one-particle Hamiltonian with respect to nuclear displacements, the calculation of the derivative exchange-correlation energy for the open shell case involves complicated expressions because of the noncollinear approach chosen to define the spin density. A pilot application to dihalogenides of element 116 shows how spin-orbit coupling strongly affects the chemistry of the superheavy p-block elements. While these molecules are bent at a scalar-relativistic level, spin-orbit coupling is so strong that only the 7p3/2 atomic orbitals of element 116 are involved in bonding, which favors linear molecular geometries for dihalogenides with heavy terminal halogen atoms.

  10. Determination of the concentration dependence of polyelectrolyte diffusion coefficients by application of the Boltzmann gradient method.

    PubMed

    Wagner, A T; Kohler, H-H

    2008-03-15

    The concentration dependence of a polyelectrolyte diffusion coefficient in aqueous low salt solution (KCl, 1 mM) is determined from a single dynamic gradient experiment. The Boltzmann method is applied to calculate the diffusion coefficient. A special diffusion cell is constructed that minimizes aberrations in the optical detection of the polyion concentration profile. Bovine serum albumin (BSA) is chosen as a model polyion. To get information about the diffusion process down to very small polyion concentrations, the BSA molecule is fluorescently labeled. The fluorescence intensity is used as a measure of the polyion concentration. The change of the polyion net charge caused by labeling is discussed. The cell is illuminated by an LED, and the fluorescence intensity profile is detected by a CCD camera. Experiments at 5 and 17 degrees C show that the diffusion coefficient of labeled BSA remains constant in the very low polyion concentration range below a threshold of about 1.5 g/l. This is in contradiction to the linear concentration dependence of polyion diffusion coefficients at very low concentrations often postulated in the literature without reference to direct experimental evidence. Our finding is confirmed by dynamic light scattering experiments published recently. An explanation for this behavior based on a modified Donnan osmotic compressibility approach is given.

  11. Development and application of a gradient method for solving differential games

    NASA Technical Reports Server (NTRS)

    Roberts, D. A.; Montgomery, R. C.

    1971-01-01

    A technique for solving n-dimensional games is developed and applied to two pursuit-evasion games. The first is a two-dimensional game similar to the homicidal chauffeur but modified to resemble an airplane-helicopter engagement. The second is a five-dimensional game of two airplanes at constant altitude and with thrust and turning controls. The performance function to be optimized by the pursuer and evader was the distance between the evader and a given target point in front of the pursuer. The analytic solution to the first game reveals that both unique and nonunique solutions exist. A comparison between the gradient results and the analytic solution shows a dependence on the nominal controls in regions where nonunique solutions exist. In the unique solution region, the results from the two methods agree closely. The results for the five-dimensional two-airplane game are also shown to be dependent on the nominal controls selected and indicate that initial conditions are in a region of nonunique solutions.

  12. A Novel Method Of Gradient Forming and Fluid Manipulation in Reduced Gravity Environments

    NASA Technical Reports Server (NTRS)

    Ramachandran N.; Leslie, F.

    1999-01-01

    The use of magnetic fields to control the motion and position of non-conducting liquids has received growing interest in recent times. The possibility of using the forces exerted by a nonuniform magnetic field on a ferrofluid to not only achieve fluid manipulation but also to actively control fluid motion makes it an attractive candidate for applications such as heat transfer in space systems. Terrestrial heat transfer equipment often relies on the normal gravitational force to hold liquid in a desired position or to provide a buoyant force to enhance the heat transfer rate. The residual gravitational force present in a space environment may no longer serve these useful functions and other forces, such as surface tension, can play a significant role in determining heat transfer rates. Although typically overwhelmed by gravitational forces in terrestrial applications, the body force induced in a ferrofluid by a nonuniform magnetic field can help to achieve these objectives in a microgravity environment. This paper will address the fluid manipulation aspect and will comprise of results from model fluid experiments and numerical modeling of the problem. Results from a novel method of forming concentration gradients that are applicable to low gravity applications will be presented. The ground based experiments are specifically tailored to demonstrate the magnetic manipulation capability of a ferrofluid and show that gravitational effects can be countered in carefully designed systems. The development of governing equations for the system will be presented along with a sampling of numerical results.

  13. Microfluidic gradient PCR (MG-PCR): a new method for microfluidic DNA amplification.

    PubMed

    Zhang, Chunsun; Xing, Da

    2010-02-01

    This study develops a new microfluidic DNA amplification strategy for executing parallel DNA amplification in the microfluidic gradient polymerase chain reaction (MG-PCR) device. The developed temperature gradient microfluidic system is generated by using an innovative fin design. The device mainly consists of modular thermally conductive copper flake which is attached onto a finned aluminum heat sink with a small fan. In our microfluidic temperature gradient prototype, a non-linear temperature gradient is produced along the gradient direction. On the copper flake of length 45 mm, width 40 mm and thickness 4 mm, the temperature gradient easily spans the range from 97 to 52 degrees Celsius. By making full use of the hot (90-97 degrees Celsius) and cold (60-70 degrees Celsius) regions on the temperature gradient device, the parallel, two-temperature MG-PCR amplification is feasible. As a demonstration, the MG-PCR from three parallel reactions of 112-bp Escherichia coli DNA fragment is performed in a continuous-flow format, in which the flow of the PCR reagent in the closed loop is induced by the buoyancy-driven nature convection. Although the prototype is not optimized, the MG-PCR amplification can be completed in less than 45 min. However, the MG-PCR thermocycler presented herein can be further scaled-down, and thus the amplification times and reagent consumption can be further reduced. In addition, the currently developed temperature gradient technology can be applied onto other continuous-flow MG-PCR systems or used for other analytical purposes such as parallel and combination measurements, and fluorescent melting curve analysis.

  14. Convergence of the gradient projection method and Newton's method as applied to optimization problems constrained by intersection of a spherical surface and a convex closed set

    NASA Astrophysics Data System (ADS)

    Chernyaev, Yu. A.

    2016-10-01

    The gradient projection method and Newton's method are generalized to the case of nonconvex constraint sets representing the set-theoretic intersection of a spherical surface with a convex closed set. Necessary extremum conditions are examined, and the convergence of the methods is analyzed.

  15. Parameter estimation with a novel gradient-based optimization method for biological lattice-gas cellular automaton models.

    PubMed

    Mente, Carsten; Prade, Ina; Brusch, Lutz; Breier, Georg; Deutsch, Andreas

    2011-07-01

    Lattice-gas cellular automata (LGCAs) can serve as stochastic mathematical models for collective behavior (e.g. pattern formation) emerging in populations of interacting cells. In this paper, a two-phase optimization algorithm for global parameter estimation in LGCA models is presented. In the first phase, local minima are identified through gradient-based optimization. Algorithmic differentiation is adopted to calculate the necessary gradient information. In the second phase, for global optimization of the parameter set, a multi-level single-linkage method is used. As an example, the parameter estimation algorithm is applied to a LGCA model for early in vitro angiogenic pattern formation.

  16. Three-dimensional lattice Boltzmann method benchmarks between color-gradient and pseudo-potential immiscible multi-component models

    NASA Astrophysics Data System (ADS)

    Leclaire, Sébastien; Parmigiani, Andrea; Chopard, Bastien; Latt, Jonas

    In this paper, a lattice Boltzmann color-gradient method is compared with a multi-component pseudo-potential lattice Boltzmann model for two test problems: a droplet deformation in a shear flow and a rising bubble subject to buoyancy forces. With the help of these two problems, the behavior of the two models is compared in situations of competing viscous, capillary and gravity forces. It is found that both models are able to generate relevant scientific results. However, while the color-gradient model is more complex than the pseudo-potential approach, numerical experiments show that it is also more powerful and suffers fewer limitations.

  17. Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

    SciTech Connect

    Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

    2015-08-06

    This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline.

  18. Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

    DOE PAGES

    Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

    2015-08-06

    This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performingmore » microcanonical excited state molecular dynamics with p-nitroaniline.« less

  19. Nitric oxide fluxes from an agricultural soil using a flux-gradient method

    NASA Astrophysics Data System (ADS)

    Taylor, N. M.; Wagner-Riddle, C.; Thurtell, G. W.; Beauchamp, E. G.

    1999-05-01

    Soil emission of nitric oxide may be a significant source of NOx in rural areas. Agricultural practices may enhance these emissions by addition of nitrogen fertilizers. A system that enables continuous measurement of NO fluxes from agricultural surfaces using the flux-gradient method was developed. Hourly differences in NO concentrations in air sampled at two intake heights (0.6 and 1 m) were determined using a chemiluminescence analyzer. Eddy diffusivities were determined using wind profiles (cup anemometers), and stability corrections calculated using a 5 cm path sonic anemometer. Fast switching of sampling between air intake heights (every 30 s) and determination of concentration values at a frequency of 2 Hz minimized the errors due to fluctuations in background concentration. Low travel times for air samples in the tubing (˜8 s) were estimated to result in small errors in flux values (<0.5 ng N m-2 s-1) due to chemical reactions. The overall resolution of the system was estimated as ˜1 ng N m-2s-1. NO fluxes from a bare soil were measured quasi-continuously from January to June 1995 at Elora, Canada, comprising a total of 1833 hourly values. Daily NO fluxes before nitrogen fertilization were small, increasing after nitrogen fertilizer was added (>10 ng N m-2 s-1). Monthly NO fluxes estimated were similar to those observed in previous studies. The designed system could be easily modified to measure NOx and NO fluxes by using an additional chemiluminescence analyzer. The system also could be adapted to measure fluxes sequentially from various plots, enabling testing of agricultural practices on NO emissions.

  20. Preconditioned conjugate-gradient methods for low-speed flow calculations

    NASA Technical Reports Server (NTRS)

    Ajmani, Kumud; Ng, Wing-Fai; Liou, Meng-Sing

    1993-01-01

    An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations is integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the Lower-Upper Successive Symmetric Over-Relaxation iterative scheme is more efficient than a preconditioner based on Incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional Line Gauss-Seidel Relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.

  1. Finite difference time domain (FDTD) method for modeling the effect of switched gradients on the human body in MRI.

    PubMed

    Zhao, Huawei; Crozier, Stuart; Liu, Feng

    2002-12-01

    Numerical modeling of the eddy currents induced in the human body by the pulsed field gradients in MRI presents a difficult computational problem. It requires an efficient and accurate computational method for high spatial resolution analyses with a relatively low input frequency. In this article, a new technique is described which allows the finite difference time domain (FDTD) method to be efficiently applied over a very large frequency range, including low frequencies. This is not the case in conventional FDTD-based methods. A method of implementing streamline gradients in FDTD is presented, as well as comparative analyses which show that the correct source injection in the FDTD simulation plays a crucial rule in obtaining accurate solutions. In particular, making use of the derivative of the input source waveform is shown to provide distinct benefits in accuracy over direct source injection. In the method, no alterations to the properties of either the source or the transmission media are required. The method is essentially frequency independent and the source injection method has been verified against examples with analytical solutions. Results are presented showing the spatial distribution of gradient-induced electric fields and eddy currents in a complete body model. Copyright 2002 Wiley-Liss, Inc.

  2. Program generator for the Incomplete Cholesky Conjugate Gradient (ICCG) method with a symmetrizing preprocessor. [GENIC code package

    SciTech Connect

    Kuo-Petravic, G.; Petravic, M.

    1980-03-01

    This paper is an extension of the previous paper, A Program Generator for the Incomplete LU-Decomposition-Conjugate Gradient (ILUCG) Method which appeared in Computer Physics Communications. In that paper a generator program was presented which produced a code package to solve the system of equations Ax/sub approx./ = b/sub approx./, where A is an arbitrary nonsingular matrix, by the ILUCG method. In the present paper an alternative generator program is offered which produces a code package applicable to the case where A is symmetric and positive definite. The numerical algorithm used is the Incomplete Cholesky Conjugate Gradient (ICCG) method of Meijerink and Van der Vorst, which executes approximately twice as fast per iteration as the ILUCG method. In addition, an optional preprocessor is provided to treat the case of a not diagonally dominant nonsymmetric and nonsingular matrix A by solving the equation A/sup T/Ax/sub approx./ = A/sup T/b/sub approx./.

  3. Data assimilation using a gradient descent method for estimation of intraoperative brain deformation.

    PubMed

    Ji, Songbai; Hartov, Alex; Roberts, David; Paulsen, Keith

    2009-10-01

    Biomechanical models that simulate brain deformation are gaining attention as alternatives for brain shift compensation. One approach, known as the "forced-displacement method", constrains the model to exactly match the measured data through boundary condition (BC) assignment. Although it improves model estimates and is computationally attractive, the method generates fictitious forces and may be ill-advised due to measurement uncertainty. Previously, we have shown that by assimilating intraoperatively acquired brain displacements in an inversion scheme, the Representer algorithm (REP) is able to maintain stress-free BCs and improve model estimates by 33% over those without data guidance in a controlled environment. However, REP is computationally efficient only when a few data points are used for model guidance because its costs scale linearly in the number of data points assimilated, thereby limiting its utility (and accuracy) in clinical settings. In this paper, we present a steepest gradient descent algorithm (SGD) whose computational complexity scales nearly invariantly with the number of measurements assimilated by iteratively adjusting the forcing conditions to minimize the difference between measured and model-estimated displacements (model-data misfit). Solutions of full linear systems of equations are achieved with a parallelized direct solver on a shared-memory, eight-processor Linux cluster. We summarize the error contributions from the entire process of model-updated image registration compensation and we show that SGD is able to attain model estimates comparable to or better than those obtained with REP, capturing about 74-82% of tumor displacement, but with a computational effort that is significantly less (a factor of 4-fold or more reduction relative to REP) and nearly invariant to the amount of sparse data involved when the number of points assimilated is large. Based on five patient cases, an average computational cost of approximately 2 min for

  4. Repeatability of gradient ultrahigh pressure liquid chromatography-tandem mass spectrometry methods in instrument-controlled thermal environments.

    PubMed

    Grinias, James P; Wong, Jenny-Marie T; Kennedy, Robert T

    2016-08-26

    The impact of viscous friction on eluent temperature and column efficiency in liquid chromatography is of renewed interest as the need for pressures exceeding 1000bar to use with columns packed with sub-2μm particles has grown. One way the development of axial and radial temperature gradients that arise due to viscous friction can be affected is by the thermal environment the column is placed in. In this study, a new column oven integrated into an ultrahigh pressure liquid chromatograph that enables both still-air and forced-air operating modes is investigated to find the magnitude of the effect of the axial thermal gradient that forms in 2.1×100mm columns packed with sub-2μm particles in these modes. Temperature increases of nearly 30K were observed when the generated power of the column exceeded 25W/m. The impact of the heating due to viscous friction on the repeatability of peak capacity, elution time, and peak area ratio to an internal standard for a gradient UHPLC-MS/MS method to analyze neurotransmitters was found to be limited. This result indicates that high speed UHPLC-MS/MS gradient methods under conditions of high viscous friction may be possible without the negative effects typically observed with isocratic separations under similar conditions.

  5. Gradient-index microlenses: numerical investigation of different spherical index profiles with the wave propagation method.

    PubMed

    Singer, W; Testorf, M; Brenner, K H

    1995-05-01

    Ion-exchange microlenses are available with different gradient-index profiles. We investigate the dependence of the imaging properties on the steepness of the index profiles. Therefore we model the index distribution by the Fermi function as radial distribution with spherical symmetry. The results are compared to index profiles according to the Doremus model.

  6. A new method for the level set equation using a hierarchical-gradient truncation and remapping technique

    NASA Astrophysics Data System (ADS)

    Kohno, Haruhiko; Nave, Jean-Christophe

    2013-06-01

    We present a novel numerical method for solving the advection equation for a level set function. The new method uses hierarchical-gradient truncation and remapping (H-GTaR) of the original partial differential equation (PDE). Our strategy reduces the original PDE to a set of decoupled linear ordinary differential equations with constant coefficients. Additionally, we introduce a remapping strategy to periodically guarantee solution accuracy for a deformation problem. The proposed scheme yields nearly an exact solution for a rigid body motion with a smooth function that possesses vanishingly small higher derivatives and calculates the gradient of the advected function in a straightforward way. We will evaluate our method in one- and two-dimensional domains and present results to several classical benchmark problems.

  7. Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by preconditioned nonlinear conjugate gradient methods

    NASA Astrophysics Data System (ADS)

    Antoine, Xavier; Levitt, Antoine; Tang, Qinglin

    2017-08-01

    We propose a preconditioned nonlinear conjugate gradient method coupled with a spectral spatial discretization scheme for computing the ground states (GS) of rotating Bose-Einstein condensates (BEC), modeled by the Gross-Pitaevskii Equation (GPE). We first start by reviewing the classical gradient flow (also known as imaginary time (IMT)) method which considers the problem from the PDE standpoint, leading to numerically solve a dissipative equation. Based on this IMT equation, we analyze the forward Euler (FE), Crank-Nicolson (CN) and the classical backward Euler (BE) schemes for linear problems and recognize classical power iterations, allowing us to derive convergence rates. By considering the alternative point of view of minimization problems, we propose the preconditioned steepest descent (PSD) and conjugate gradient (PCG) methods for the GS computation of the GPE. We investigate the choice of the preconditioner, which plays a key role in the acceleration of the convergence process. The performance of the new algorithms is tested in 1D, 2D and 3D. We conclude that the PCG method outperforms all the previous methods, most particularly for 2D and 3D fast rotating BECs, while being simple to implement.

  8. Tomographic systems for the Helmholtz equation with extended Born field models using conjugate gradient inversion methods

    NASA Astrophysics Data System (ADS)

    Olsen, Scott Charles

    In this dissertation, new inverse scattering algorithms are derived for the Helmholtz equation using the Extended Born field model (eikonal rescattered field), and the angular spectrum (parabolic) layered field model. These two field models performed the 'best' of all the field models evaluated. Algorithms are solved with conjugate gradient methods. An advanced ultrasonic data acquisition system is also designed. Many different field models for use in a reconstruction algorithm are investigated. 'Layered' field models that mathematically partition the field calculation in layers in space possess the advantage that the field in layer n is calculated from the field in layer n - 1. Several of the 'layered' field models are investigated in terms of accuracy and computational complexity. Field model accuracy using field rescattering is also tested. The models investigated are the eikonal field model, the angular spectrum (AS) field model, and the parabolic field models known as the Split-Step Fast-Fourier Transform and the Crank-Nicolson algorithms. All of the 'layered' field models can be referred to as Extended Born field models since the 'layered' field models are more accurate than the Born approximated total field. The Rescattered Extended Born (eikonal rescattered field) Transmission Mode (REBTM) algorithm with the AS field model and the Nonrescattered AS Reconstruction (NASR) algorithm are tested with several types of objects: a single-layer cylinder, double-layer cylinders, two double-layer cylinders and the breast model. Both algorithms, REBTM and NASR work well; however, the NASR algorithm is faster and more accurate than the REBTM algorithm. The NASR algorithm is matched well with the requirements of breast model reconstructions. A major purpose of new scanner development is to collect both transmission and reflection data from multiple ultrasonic transducer arrays to test the next generation of reconstruction algorithms. The data acquisition system advanced

  9. An automatic and accurate method of full heart segmentation from CT image based on linear gradient model

    NASA Astrophysics Data System (ADS)

    Yang, Zili

    2017-07-01

    Heart segmentation is an important auxiliary method in the diagnosis of many heart diseases, such as coronary heart disease and atrial fibrillation, and in the planning of tumor radiotherapy. Most of the existing methods for full heart segmentation treat the heart as a whole part and cannot accurately extract the bottom of the heart. In this paper, we propose a new method based on linear gradient model to segment the whole heart from the CT images automatically and accurately. Twelve cases were tested in order to test this method and accurate segmentation results were achieved and identified by clinical experts. The results can provide reliable clinical support.

  10. Hyperbolic Method for Dispersive PDEs: Same High-Order of Accuracy for Solution, Gradient, and Hessian

    NASA Technical Reports Server (NTRS)

    Mazaheri, Alireza; Ricchiuto, Mario; Nishikawa, Hiroaki

    2016-01-01

    In this paper, we introduce a new hyperbolic first-order system for general dispersive partial differential equations (PDEs). We then extend the proposed system to general advection-diffusion-dispersion PDEs. We apply the fourth-order RD scheme of Ref. 1 to the proposed hyperbolic system, and solve time-dependent dispersive equations, including the classical two-soliton KdV and a dispersive shock case. We demonstrate that the predicted results, including the gradient and Hessian (second derivative), are in a very good agreement with the exact solutions. We then show that the RD scheme applied to the proposed system accurately captures dispersive shocks without numerical oscillations. We also verify that the solution, gradient and Hessian are predicted with equal order of accuracy.

  11. Liquid crystal thermography. A method for monitoring temperature gradients in microtitration plates.

    PubMed

    Oliver, D G; Sanders, A H; Jang, L; Poy, D; Van Heuvelen, A

    1983-03-11

    Precise quantitative heat transfer information in microtitration plates can be obtained by filling the wells of a microtitration plate with cholesteric liquid crystals and incubating the plates at the desired temperature in different incubators. The liquid crystals indicate temperature by changes in discrete reproducible colors over various temperature ranges. With these instrumented plates, interwell thermal gradients may be documented visually and are in close agreement with results obtained by using wire thermocouple measuring techniques.

  12. On conjugate gradient type methods and polynomial preconditioners for a class of complex non-Hermitian matrices

    NASA Technical Reports Server (NTRS)

    Freund, Roland

    1988-01-01

    Conjugate gradient type methods are considered for the solution of large linear systems Ax = b with complex coefficient matrices of the type A = T + i(sigma)I where T is Hermitian and sigma, a real scalar. Three different conjugate gradient type approaches with iterates defined by a minimal residual property, a Galerkin type condition, and an Euclidian error minimization, respectively, are investigated. In particular, numerically stable implementations based on the ideas behind Paige and Saunder's SYMMLQ and MINRES for real symmetric matrices are proposed. Error bounds for all three methods are derived. It is shown how the special shift structure of A can be preserved by using polynomial preconditioning. Results on the optimal choice of the polynomial preconditioner are given. Also, some numerical experiments for matrices arising from finite difference approximations to the complex Helmholtz equation are reported.

  13. Influence of Rotor-Stator Interaction on Flow Stability in Centrifugal Pump Based on Energy Gradient Method

    NASA Astrophysics Data System (ADS)

    Zheng, Lu-Lu; Dou, Hua-Shu; Jiang, Wei; Chen, Xiaoping; Zhu, Zuchao; Cui, Baoling

    2016-12-01

    Numerical simulation is performed for the three-dimensional turbulent flow field in a centrifugal pump by solving the Reynolds-averaged Navier-Stokes equations and the RNG k-epsilon turbulent model. The finite volume method and the SIMPLE algorithm are employed for the solution of the system. All the parameters in the centrifugal pump at different blade angular positions are obtained by simulation. The flow structure is analyzed and the distributions of the energy gradient function K are calculated at different blade angular positions based on the energy gradient method. According to the energy gradient method, the location which has larger value of K is easier to cause instability and to be of high turbulence intensity. The result shows that the flow instability is easier to be excited nearing the tongue where the value of K is large. The unstable flow area nearing the tongue is also in agreement with the zone where the velocity decreases rapidly. The sudden variation of velocity contributes to the large value of K. The research result also indicates that the tongue has large impact only on the impeller passages passing the tongue.

  14. Spherical tensor gradient operator method for integral rotation: a simple, efficient, and extendable alternative to Slater-Koster tables.

    PubMed

    Giese, Timothy J; York, Darrin M

    2008-07-07

    We present a novel alternative to the use of Slater-Koster tables for the efficient rotation and gradient evaluation of two-center integrals used in tight-binding Hamiltonian models. The method recasts the problem into an exact, yet implicit, basis representation through which the properties of the spherical tensor gradient operator are exploited. These properties provide a factor of 3 to 4 speedup in the evaluation of the integral gradients and afford a compact code structure that easily extends to high angular momentum without loss in efficiency. Thus, the present work is important in improving the performance of tight-binding models in molecular dynamics simulations and has particular use for methods that require the evaluation of two-center integrals that involve high angular momentum basis functions. These advances have a potential impact for the design of new tight-binding models that incorporate polarization or transition metal basis functions and methods based on electron density fitting of molecular fragments.

  15. Solving a large scale nonlinear unconstrained optimization with exact line search direction by using new coefficient of conjugate gradient methods

    NASA Astrophysics Data System (ADS)

    Mohamed, Nur Syarafina; Mamat, Mustafa; Rivaie, Mohd

    2016-11-01

    Conjugate gradient (CG) methods are one of the tools in optimization. Due to its low computational memory requirement, this method is used in solving several of nonlinear unconstrained optimization problems from designs, economics, physics and engineering. In this paper, a new modification of CG family coefficient (βk) is proposed and posses global convergence under exact line search direction. Numerical experimental results based on the number of iterations and central processing unit (CPU) time show that the new βk performs better than some other well known CG methods under some standard test functions.

  16. Determination of in situ gas diffusivity for the reliable estimation of soil fluxes through the gradient method

    NASA Astrophysics Data System (ADS)

    Perez Sanchez-Canete, Enrique; Scott, Russell L.; Barron-Gafford, Greg; van Haren, Joost

    2016-04-01

    Soil CO2 fluxes represent a major source of CO2 emissions, where small changes in their estimation provoke large changes in the quantification of the global carbon cycle. Recently, the gradient method that employs soil CO2 probes at multiple depths has been offered as a way to inexpensively and continuously measure soil CO2 flux. However, the use of the gradient method can yield inappropriate flux estimates due to the uncertainties mainly associated with the inappropriate determination of the soil diffusion coefficient. Therefore, in-situ methods to determine diffusion coefficient are necessary to obtain accurate CO2 fluxes. Here the data obtained during one year with two automatic soil CO2 chambers along with CO2 molar fraction data from 4 probes at 10 cm depth, were used to determine a model of soil diffusion coefficient (Ds), which was applied later to obtain the soil CO2 fluxes by the gradient method. Another Ds model was obtained by injection and sampling of SF6 during several campaigns with different soil water content levels. Both Ds models obtained in situ were compared with another 13 Ds models published. We addressed three questions: 1) Can we use a previously published model, or do we need to determine Ds in situ? 2) How accurate are the CO2 fluxes estimates obtained by the gradient method for different Ds models, compared with chamber-measured CO2 fluxes? 3) Can we take a limited number of chamber measurements to obtain a good Ds model, or we need longer calibration periods? Comparing the cumulative soil respiration for the different diffusion models, we found that the model with empirical calibration to the soil chambers had the best agreement with the chamber fluxes (<0.5% error). The SF6 model underestimated by chamber fluxes by 23% and the published models ranged from an underestimate of 78% to an overestimate of 14%. Most importantly, we found that a few days of measurements with a soil respiration chamber (with widely varying soil water content

  17. Preliminary Structural Design Using Topology Optimization with a Comparison of Results from Gradient and Genetic Algorithm Methods

    NASA Technical Reports Server (NTRS)

    Burt, Adam O.; Tinker, Michael L.

    2014-01-01

    In this paper, genetic algorithm based and gradient-based topology optimization is presented in application to a real hardware design problem. Preliminary design of a planetary lander mockup structure is accomplished using these methods that prove to provide major weight savings by addressing the structural efficiency during the design cycle. This paper presents two alternative formulations of the topology optimization problem. The first is the widely-used gradient-based implementation using commercially available algorithms. The second is formulated using genetic algorithms and internally developed capabilities. These two approaches are applied to a practical design problem for hardware that has been built, tested and proven to be functional. Both formulations converged on similar solutions and therefore were proven to be equally valid implementations of the process. This paper discusses both of these formulations at a high level.

  18. Analytic gradients for Mukherjee's multireference coupled-cluster method using two-configurational self-consistent-field orbitals

    NASA Astrophysics Data System (ADS)

    Jagau, Thomas-C.; Prochnow, Eric; Evangelista, Francesco A.; Gauss, Jürgen

    2010-04-01

    Analytic gradients for the state-specific multireference coupled-cluster method suggested by Mahapatra et al. [Mol. Phys. 94, 157 (1998)] (Mk-MRCC) are reported within the singles and doubles approximation using two-configurational self-consistent field (TCSCF) orbitals. The present implementation extends our previous work on Mk-MRCC gradients [E. Prochnow et al., J. Chem. Phys. 131, 064109 (2009)] which is based on restricted Hartree-Fock orbitals and consequently the main focus of the present paper is on the treatment of orbital relaxation at the TCSCF level using coupled-perturbed TCSCF theory. Geometry optimizations on m-arynes and nitrenes are presented to illustrate the influence of the orbitals on the computed equilibrium structures. The results are compared to those obtained at the single-reference coupled-cluster singles and doubles and at the Mk-MRCC singles and doubles level of theory when using restricted Hartree-Fock orbitals.

  19. Nonlinear gyrokinetic simulation of ion temperature gradient turbulence based on a numerical Lie-transform perturbation method

    NASA Astrophysics Data System (ADS)

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

    2017-08-01

    The electrostatic gyrokinetic nonlinear turbulence code NLT, which is based on a numerical Lie-transform perturbation method, is developed. For improving the computational efficiency and avoiding the numerical instabilities, field-aligned coordinates and a Fourier filter are adopted in the NLT code. Nonlinear tests of the ion temperature gradient driven turbulence with adiabatic electrons are performed for verifying the NLT code by comparing with other gyrokinetic codes. The time evolution of the ion heat diffusivity and the relation between the ion heat diffusivity and the ion temperature gradient are compared in the nonlinear tests. Good agreements are achieved from the nonlinear benchmarks between the NLT code and other codes. The mode structures of the perturbed electric potential representing different phases have been simulated.

  20. Linear and non-linear effects of gradient artifact filtering methods in simultaneous EEG-FMRI - biomed 2010.

    PubMed

    Cusenza, Monica; Accardo, Agostino; Monti, Fabrizio; Bramanti, Placido

    2010-01-01

    Simultaneous EEG-fMRI is a powerful emerging tool in functional neuroimaging that exploits the relationship between neuronal electrophysiological activity and its hemodynamic response. It has found application in the study of both spontaneous and evoked brain activity. Combining the complementary advantages of the two techniques it provides a measurement with high temporal and spatial resolution, allowing a reliable localization of event generators. However, EEG data recorded inside MRI scanner are heavily corrupted by different types of artifacts due to the interactions between the patient, EEG electrodes wires and the magnetic fields inside the scanner. In particular, gradient switching and RF pulses, necessary to acquire fMRI data, generate large artifacts that can completely obscure EEG signals. Many methods have been proposed to eliminate or at least reduce gradient artifact. In this paper both a qualitative and a quantitative evaluation of two different algorithms used for gradient artifact removal are presented. Linear and non-linear characteristics of EEG, such as power spectra, fractal dimension and beta scaling exponent, are evaluated for EEGs recorded outside and inside the scanner, in MR static and dynamic conditions. The study highlights how residual artifacts after correction and artifacts induced by correction itself could still considerably affect EEG signals. The results suggest that the quality of both these gradient artifact filtering methods is not yet sufficient to preserve EEG characteristics and thus it must be further improved. The aim of this study is to make neurophysiologists aware of the filtering effects that can compromise linear and non-linear analysis of EEG recorded during functional MRI.

  1. Stochastic gradient processes: A survey of convergence theory using Lyapunov second method

    SciTech Connect

    Nakonechnyi, A.N.

    1995-09-01

    In the present article, our aim is to provide a comprehensive survey and analysis of the convergence conditions of known gradient type algorithms described by process in terms of the Lyapunov function v(z) = min/y {element_of} Y {parallel} z - y {parallel}{sup 2}, where Y is a closed bounded subset in R{sup l}, i.e., the conditions that ensure the equality P (lim/k{r_arrow}{infinity} min/y{element_of}Y {parallel} z{sup k}-y{parallel}{sup 2} = O) = 1. Alongside qualitative results, the article also focuses on comparison of specific gradient type stochastic algorithms on test examples, practical evaluation of the accuracy of the results, and acceleration of convergence by the averaging operation on the trajectory, which is defined by the recurrence u{sup k+1}=u{sup {center_dot}k} + (z{sup k}-u{sup k})/k, k {ge} 1, u{sup 1} = z{sup 1}.

  2. Cell interaction study method using novel 3D silica nanoneedle gradient arrays

    PubMed Central

    Rajput, Deepak; Crowder, Spencer; Hofmeister, Lucas; Costa, Lino; Sung, Hak-Joon; Hofmeister, William

    2012-01-01

    Understanding cellular interactions with culture substrate features is important to advance cell biology and regenerative medicine. When surface topographical features are considerably larger in vertical dimension and are spaced at least one cell dimension apart, the features act as 3D physical barriers that can guide cell adhesion, thereby altering cell behavior. In the present study, we investigated competitive interactions of cells with neighboring cells and matrix using a novel nanoneedle gradient array. A gradient array of nanoholes was patterned at the surface of fused silica by single-pulse femtosecond laser machining. A negative replica of the pattern was extracted by nanoimprinting with a thin film of polymer. Silica was deposited on top of the polymer replica to form silica nanoneedles. NIH 3T3 fibroblasts were cultured on silica nanoneedles and their behavior was studied and compared with those cultured on a flat silica surface. The presence of silica nanoneedles was found to enhance the adhesion of fibroblasts while maintaining cell viability. The anisotropy in the arrangement of silica nanoneedles was found to affect the morphology and spreading of fibroblasts. Additionally, variations in nanoneedle spacing regulated cell-matrix and cell-cell interactions, effectively preventing cell aggregation in areas of tightly-packed nanoneedles. This proof-of-concept study provides a reproducible means for controlling competitive cell adhesion events and offers a novel system whose properties can be manipulated to intimately control cell behavior. PMID:23006558

  3. COLLECTION OF AIRBORNE PARTICLES BY A HIGH-GRADIENT PERMANENT MAGNETIC METHOD

    SciTech Connect

    Cheng, Mengdawn; Allman, Steve L; Ludtka, Gerard Michael; Avens, Larry R

    2014-01-01

    We report on the use of magnetic force in collection of airborne particles by a high- gradient permanent magnetic separation (HGPMS) device. Three aerosol particles of different magnetic susceptibility (NaCl, CuO, and Fe2O3) were generated in the electrical mobility size range of 10 to 200 nm and were used to study HGPMS collection. One HGPMS matrix element, made of stainless steel wool, was used in the device configuration. Three flow rates were selected to simulate the environmental wind speeds of interest to the study. Magnetic force was found to exhibit an insignificant effect on the separation of NaCl particles, even in the HGPMS configuration. Diffusion was a major mechanism in the removal of the diamagnetic particles; however, diffusion is insignificant under the influence of a high-gradient magnetic field for paramagnetic or ferromagnetic particles. The HGPMS showed high-performance collection (> 99%) of paramagnetic CuO and ferromagnetic Fe2O3 particles for particle sizes greater than or equal to 60 nm. As the wind speed increases, the influence of the magnetic force weakens, and the capability to remove particles from the gas stream diminishes. The results suggest that the HGPMS principle could be explored for development of an advanced miniaturized passive aerosol collector.

  4. Behavior Learning Based on a Policy Gradient Method: Separation of Environmental Dynamics and State-Values in Policies

    NASA Astrophysics Data System (ADS)

    Ishihara, Seiji; Igarashi, Harukazu

    Policy gradient methods are useful approaches to reinforcement learning. Applying the method to behavior learning, we can deal with each decision problem in different time-steps as a problem of minimizing an objective function. In this paper, we give the objective function consists of two types of parameters, which represent state-values and environmental dynamics. In order to separate the learning of the state-value from that of the environmental dynamics, we also give respective learning rules for each type of parameters. Furthermore, we show that the same set of state-values can be reused under different environmental dynamics.

  5. Geometrical optics analysis of the structural imperfection of retroreflection corner cubes with a nonlinear conjugate gradient method.

    PubMed

    Kim, Hwi; Min, Sung-Wook; Lee, Byoungho

    2008-12-01

    Geometrical optics analysis of the structural imperfection of retroreflection corner cubes is described. In the analysis, a geometrical optics model of six-beam reflection patterns generated by an imperfect retroreflection corner cube is developed, and its structural error extraction is formulated as a nonlinear optimization problem. The nonlinear conjugate gradient method is employed for solving the nonlinear optimization problem, and its detailed implementation is described. The proposed method of analysis is a mathematical basis for the nondestructive optical inspection of imperfectly fabricated retroreflection corner cubes.

  6. Computerized detection of non-calcified plaques in coronary CT angiography: topological soft-gradient detection method for plaque prescreening

    NASA Astrophysics Data System (ADS)

    Wei, Jun; Zhou, Chuan; Chan, Heang-Ping; Chughtai, Aamer; Patel, Smita; Agarwal, Prachi; Kuriakose, Jean; Hadjiiski, Lubomir; Kazerooni, Ella

    2013-03-01

    Non-calcified plaque (NCP) detection in coronary CT angiography (cCTA) is challenging due to the low CT number of NCP, the large number of coronary arteries and multiple phase CT acquisition. We are developing computervision methods for automated detection of NCPs in cCTA. A data set of 62 cCTA scans with 87 NCPs was collected retrospectively from patient files. Multiscale coronary vessel enhancement and rolling balloon tracking were first applied to each cCTA volume to extract the coronary artery trees. Each extracted vessel was reformatted to a straightened volume composed of cCTA slices perpendicular to the vessel centerline. A new topological soft-gradient (TSG) detection method was developed to prescreen for both positive and negative remodeling candidates by analyzing the 2D topological features of the radial gradient field surface along the vessel wall. Nineteen features were designed to describe the relative location along the coronary artery, shape, distribution of CT values, and radial gradients of each NCP candidate. With a machine learning algorithm and a two-loop leave-one-case-out training and testing resampling method, useful features were selected and combined into an NCP likelihood measure to differentiate TPs from FPs. The detection performance was evaluated by FROC analysis. Our TSG method achieved a sensitivity of 96.6% with 35.4 FPs/scan at prescreening. Classification with the NCP likelihood measure reduced the FP rates to 13.1, 10.0 and 6.7 FPs/scan at sensitivities of 90%, 80%, and 70%, respectively. These results demonstrated that the new TSG method is useful for computerized detection of NCPs in cCTA.

  7. Comparison of Experimentally Measured Temperature Gradient and Finite-Element-Method Simulations for Two Continuously Cast Bloom Heating Strategies

    NASA Astrophysics Data System (ADS)

    Kvíčala, M.; Frydrýšek, K.; Štamborská, M.

    2015-03-01

    This paper deals with the comparison of experimentally measured temperature gradients and finite-element-method (FEM) simulations of two heating strategies that were used for continuously cast bloom soaking. The temperature gradient between the bloom surface and center was measured by two thermocouples incorporated directly into the bloom. Scanning electron microscopy equipped by energy dispersive X-ray spectroscopy analysis, hot tensile tests, and interdendritic solidification software was used for modeling of steel thermophysical properties with respect to the alloying-elements macrosegregation. The model of the bloom was programmed in the Fortran language. The FEM software MARC/MENTAT 2012 was used for simulation of two heating strategies (plane strain formulation). The first heating model was fitted to the commonly used heating strategy when internal defects grew above the critical limit. The second heating model was a newly proposed strategy that consisted of slower heating up to 1073 K when the first warming-through period occurred. The FEM simulations included determinations of the temperature gradient, the equivalent of stress, the equivalent of elastic strain, the equivalent of plastic strain, and the equivalent of total strain. The simulation results were in good agreement with experimental observations. The new heating strategy based on the FEM simulations led to significantly lower occurrence of internal defects in hot-rolled billets that are used for cylinder production.

  8. A new 3-D ray tracing method based on LTI using successive partitioning of cell interfaces and traveltime gradients

    NASA Astrophysics Data System (ADS)

    Zhang, Dong; Zhang, Ting-Ting; Zhang, Xiao-Lei; Yang, Yan; Hu, Ying; Qin, Qian-Qing

    2013-05-01

    We present a new method of three-dimensional (3-D) seismic ray tracing, based on an improvement to the linear traveltime interpolation (LTI) ray tracing algorithm. This new technique involves two separate steps. The first involves a forward calculation based on the LTI method and the dynamic successive partitioning scheme, which is applied to calculate traveltimes on cell boundaries and assumes a wavefront that expands from the source to all grid nodes in the computational domain. We locate several dynamic successive partition points on a cell's surface, the traveltimes of which can be calculated by linear interpolation between the vertices of the cell's boundary. The second is a backward step that uses Fermat's principle and the fact that the ray path is always perpendicular to the wavefront and follows the negative traveltime gradient. In this process, the first-arriving ray path can be traced from the receiver to the source along the negative traveltime gradient, which can be calculated by reconstructing the continuous traveltime field with cubic B-spline interpolation. This new 3-D ray tracing method is compared with the LTI method and the shortest path method (SPM) through a number of numerical experiments. These comparisons show obvious improvements to computed traveltimes and ray paths, both in precision and computational efficiency.

  9. Global convergence of the Polak-Ribiere-Polyak conjugate gradient method with an Armijo-type inexact line search for nonconvex unconstrained optimization problems

    NASA Astrophysics Data System (ADS)

    Wei, Zeng Xin; Li, Guo Yin; Qi, Li Qun

    2008-12-01

    We propose two algorithms for nonconvex unconstrained optimization problems that employ Polak-Ribiere-Polyak conjugate gradient formula and new inexact line search techniques. We show that the new algorithms converge globally if the function to be minimized has Lipschitz continuous gradients. Preliminary numerical results show that the proposed methods for particularly chosen line search conditions are very promising.

  10. Experiment, monitoring, and gradient methods used to infer climate change effects on plant communities yield consistent patterns.

    PubMed

    Elmendorf, Sarah C; Henry, Gregory H R; Hollister, Robert D; Fosaa, Anna Maria; Gould, William A; Hermanutz, Luise; Hofgaard, Annika; Jónsdóttir, Ingibjörg S; Jónsdóttir, Ingibjörg I; Jorgenson, Janet C; Lévesque, Esther; Magnusson, Borgþór; Molau, Ulf; Myers-Smith, Isla H; Oberbauer, Steven F; Rixen, Christian; Tweedie, Craig E; Walker, Marilyn D; Walker, Marilyn

    2015-01-13

    Inference about future climate change impacts typically relies on one of three approaches: manipulative experiments, historical comparisons (broadly defined to include monitoring the response to ambient climate fluctuations using repeat sampling of plots, dendroecology, and paleoecology techniques), and space-for-time substitutions derived from sampling along environmental gradients. Potential limitations of all three approaches are recognized. Here we address the congruence among these three main approaches by comparing the degree to which tundra plant community composition changes (i) in response to in situ experimental warming, (ii) with interannual variability in summer temperature within sites, and (iii) over spatial gradients in summer temperature. We analyzed changes in plant community composition from repeat sampling (85 plant communities in 28 regions) and experimental warming studies (28 experiments in 14 regions) throughout arctic and alpine North America and Europe. Increases in the relative abundance of species with a warmer thermal niche were observed in response to warmer summer temperatures using all three methods; however, effect sizes were greater over broad-scale spatial gradients relative to either temporal variability in summer temperature within a site or summer temperature increases induced by experimental warming. The effect sizes for change over time within a site and with experimental warming were nearly identical. These results support the view that inferences based on space-for-time substitution overestimate the magnitude of responses to contemporary climate warming, because spatial gradients reflect long-term processes. In contrast, in situ experimental warming and monitoring approaches yield consistent estimates of the magnitude of response of plant communities to climate warming.

  11. Experiment, monitoring, and gradient methods used to infer climate change effects on plant communities yield consistent patterns

    PubMed Central

    Elmendorf, Sarah C.; Henry, Gregory H. R.; Hollister, Robert D.; Fosaa, Anna Maria; Gould, William A.; Hermanutz, Luise; Hofgaard, Annika; Jónsdóttir, Ingibjörg S.; Jorgenson, Janet C.; Lévesque, Esther; Magnusson, Borgþór; Molau, Ulf; Myers-Smith, Isla H.; Oberbauer, Steven F.; Rixen, Christian; Tweedie, Craig E.; Walker, Marilyn D.

    2015-01-01

    Inference about future climate change impacts typically relies on one of three approaches: manipulative experiments, historical comparisons (broadly defined to include monitoring the response to ambient climate fluctuations using repeat sampling of plots, dendroecology, and paleoecology techniques), and space-for-time substitutions derived from sampling along environmental gradients. Potential limitations of all three approaches are recognized. Here we address the congruence among these three main approaches by comparing the degree to which tundra plant community composition changes (i) in response to in situ experimental warming, (ii) with interannual variability in summer temperature within sites, and (iii) over spatial gradients in summer temperature. We analyzed changes in plant community composition from repeat sampling (85 plant communities in 28 regions) and experimental warming studies (28 experiments in 14 regions) throughout arctic and alpine North America and Europe. Increases in the relative abundance of species with a warmer thermal niche were observed in response to warmer summer temperatures using all three methods; however, effect sizes were greater over broad-scale spatial gradients relative to either temporal variability in summer temperature within a site or summer temperature increases induced by experimental warming. The effect sizes for change over time within a site and with experimental warming were nearly identical. These results support the view that inferences based on space-for-time substitution overestimate the magnitude of responses to contemporary climate warming, because spatial gradients reflect long-term processes. In contrast, in situ experimental warming and monitoring approaches yield consistent estimates of the magnitude of response of plant communities to climate warming. PMID:25548195

  12. Reduced-Shifted Conjugate-Gradient Method for a Green's Function: Efficient Numerical Approach in a Nano-Structured Superconductor

    NASA Astrophysics Data System (ADS)

    Nagai, Yuki; Shinohara, Yasushi; Futamura, Yasunori; Sakurai, Tetsuya

    2017-01-01

    We propose the reduced-shifted conjugate-gradient (RSCG) method, which is numerically efficient to calculate a matrix element of a Green's function defined as a resolvent of a Hamiltonian operator, by solving linear equations with a desired accuracy. This method does not calculate solution vectors of linear equations but does directly calculate a matrix element of the resolvent. The matrix elements with different frequencies are simultaneously obtained. Thus, it is easy to calculate the exception value expressed as a Matsubara summation of these elements. To illustrate a power of our method, we choose a nano-structured superconducting system with a mean-field Bogoliubov-de Gennes (BdG) approach. This method allows us to treat with the system with the fabrication potential, where one cannot effectively use the kernel-polynomial-based method. We consider the d-wave nano-island superconductor by simultaneously solving the linear equations with a large number (˜50000) of Matsubara frequencies.

  13. The application of inverse-dispersion and gradient methods to estimate ammonia emissions from a penguin colony

    NASA Astrophysics Data System (ADS)

    Theobald, Mark R.; Crittenden, Peter D.; Tang, Y. Sim; Sutton, Mark A.

    2013-12-01

    Penguin colonies represent some of the most concentrated sources of ammonia emissions to the atmosphere in the world. The ammonia emitted into the atmosphere can have a large influence on the nitrogen cycling of ecosystems near the colonies. However, despite the ecological importance of the emissions, no measurements of ammonia emissions from penguin colonies have been made. The objective of this work was to determine the ammonia emission rate of a penguin colony using inverse-dispersion modelling and gradient methods. We measured meteorological variables and mean atmospheric concentrations of ammonia at seven locations near a colony of Adélie penguins in Antarctica to provide input data for inverse-dispersion modelling. Three different atmospheric dispersion models (ADMS, LADD and a Lagrangian stochastic model) were used to provide a robust emission estimate. The Lagrangian stochastic model was applied both in ‘forwards’ and ‘backwards’ mode to compare the difference between the two approaches. In addition, the aerodynamic gradient method was applied using vertical profiles of mean ammonia concentrations measured near the centre of the colony. The emission estimates derived from the simulations of the three dispersion models and the aerodynamic gradient method agreed quite well, giving a mean emission of 1.1 g ammonia per breeding pair per day (95% confidence interval: 0.4-2.5 g ammonia per breeding pair per day). This emission rate represents a volatilisation of 1.9% of the estimated nitrogen excretion of the penguins, which agrees well with that estimated from a temperature-dependent bioenergetics model. We found that, in this study, the Lagrangian stochastic model seemed to give more reliable emission estimates in ‘forwards’ mode than in ‘backwards’ mode due to the assumptions made.

  14. A novel gradient HPLC method for simultaneous determination of ranitidine, methylparaben and propylparaben in oral liquid pharmaceutical formulation.

    PubMed

    Kokoletsi, Magdalene Xenou; Kafkala, Stella; Tsiaganis, Michael

    2005-07-15

    A selective and accurate high-performance liquid chromatographic method has been developed and validated for the simultaneous determination of ranitidine, methylparaben (MP) and propylparaben (PP) in oral liquids. Samples were purified by solid-phase extraction (SPE) using a copolymeric [poly(divinylbenzene-co-N-vinylpyrrolidone)] sorbent. The chromatographic separation was achieved by HPLC using a mixture of ammonium acetate solution (0.5 M), acetonitrile and methanol as the mobile phase with gradient elution, a Nucleosil C18 column and UV detection at 254 nm. The method was validated with respect to linearity, precision, accuracy, selectivity, and robustness. All the parameters examined met the current recommendations for bioanalytical method validation. The method was found to be applicable to routine analysis (assays and stability tests) of active compound (ranitidine) and preservatives (MP and PP).

  15. On the convergence of the conditional gradient method as applied to the optimization of an elliptic equation

    NASA Astrophysics Data System (ADS)

    Chernov, A. V.

    2015-02-01

    The optimal control of a second-order semilinear elliptic diffusion-reaction equation is considered. Sufficient conditions for the convergence of the conditional gradient method are obtained without using assumptions (traditional for optimization theory) that ensure the Lipschitz continuity of the objective functional derivative. The total (over the entire set of admissible controls) preservation of solvability, a pointwise estimate of solutions, and the uniqueness of a solution to the homogeneous Dirichlet problem for a controlled elliptic equation are proved as preliminary results, which are of interest on their own.

  16. Are there any alternative methods to hepatic venous pressure gradient in portal hypertension assessment?

    PubMed

    Procopeţ, Bogdan; Tantau, Marcel; Bureau, Christophe

    2013-03-01

    Portal hypertension is a major consequence of any chronic liver disease and it represents the main mechanism of complication occurrence. Therefore, the assessment of portal hypertension presence is one of the most important steps in the management of any chronic liver diseases. The most accurate tool for portal pressure assessment is hepatic venous pressure gradient (HVPG) measurement, which has diagnostic and prognostic relevance. In this paper we review the methodology of HVPG measuring, together with the clinical relevance of this technique. Portal hypertension is defined as a HVPG higher than 5 mmHg, but clinically significant portal hypertension that predisposes to clinical decompensation is defined as HVPG higher than 10 mmHg. HVPG is useful for portal hypertension treatment monitoring. A decrease in HVPG greater than 20% or under the threshold of 12 mmHg is considered to be protective against portal hypertension-related events. Even if HVPG measurement is a safe procedure, it is still considered an invasive technique and not widely available. Therefore, non-invasive markers of portal hypertension were searched for. Until now only liver stiffness measurement by transient elastography has proved to be sufficiently accurate but there is still heterogeneity among the cut-off values for portal hypertension diagnosis.

  17. Can the gradient method improve our ability to predict soil respiration?

    NASA Astrophysics Data System (ADS)

    Phillips, Claire; Nickerson, Nicholas; Risk, Dave

    2015-04-01

    Soil surface flux measurements integrate respiration across steep vertical gradients of soil texture, moisture, temperature, and carbon substrates. Although there are benefits to integrating complex soil processes in a single surface measure, i.e. for constructing soil carbon budgets, one serious drawback of studying only surface respiration is the difficulty in generating predictive relationships from environmental drivers. For example, the relationship between depth-integrated soil respiration and temperature measured at a single discreet depth (apparent temperature sensitivity) can bear little resemblance to the temperature sensitivity of soil respiration within soil layers (actual temperature sensitivity). Here we present several examples of how the inferred environmental sensitivity of soil respiration can be improved from observations of CO2 flux profiles in contrast to surface fluxes alone. We present a theoretical approach for estimating the temperature sensitivity of soil respiration in situ, called the weighted heat flux approach, which avoids much of the hysteresis produced by typical respiration-temperature comparisons. The weighted heat flux approach gives more accurate estimates of within-soil temperature sensitivity, and is arguably the most theoretically robust analytical temperature model available. We also show how soil drying influences the effectiveness of the weighted heat flux approach, as well as the relative activity of discreet soil layers and specific soil organisms, such as mycorrhizal fungi. The additional information provided by within-soil flux profiles can improve the fidelity of both probabilistic and mechanistic soil respiration models

  18. Optimization of ion exchange sigmoidal gradients using hybrid models: Implementation of quality by design in analytical method development.

    PubMed

    Joshi, Varsha S; Kumar, Vijesh; Rathore, Anurag S

    2017-03-31

    Thorough product understanding is one of the basic tenets for successful implementation of Quality by Design (QbD). Complexity encountered in analytical characterization of biotech therapeutics such as monoclonal antibodies (mAbs) requires novel, simpler, and generic approaches towards product characterization. This paper presents a methodology for implementation of QbD for analytical method development. Optimization of an analytical cation exchange high performance liquid chromatography (CEX-HPLC) method utilizing a sigmoidal gradient has been performed using a hybrid mechanistic model that is based on Design of experiment (DOE) based studies. Since sigmodal gradients are much more complex than the traditional linear gradients and have a large number of input parameters (five) for optimization, the number of DOE experiments required for a full factorial design to estimate all the main effects as well as the interactions would be too large (243). To address this problem, a mechanistic model was used to simulate the analytical separation for the DOE and then the results were used to build an empirical model. The mechanistic model used in this work is a more versatile general rate model in combination of modified Langmuir binding kinetics. The modified Langmuir model is capable of modelling the impact of nonlinear changes in the concentration of the salt modifier. Further, to get the input and output profiles of mAb and salts/buffers, the HPLC system, consisting of the mixer, detectors, and tubing was modelled as a sequence of dispersed plug flow reactors and continuous stirred tank reactors (CSTR). The experimental work was limited to calibration of the HPLC system and finding the model parameters through three linear gradients. To simplify the optimization process, only three peaks in the centre of the profile (main product and the adjacent acidic and basic variants) were chosen to determine the final operating condition. The regression model made from the DoE data

  19. Evaluation of an alternate method for sampling benthic macroinvertebrates in low-gradient streams sampled as part of the National Rivers and Streams Assessment.

    PubMed

    Flotemersch, Joseph E; North, Sheila; Blocksom, Karen A

    2014-02-01

    Benthic macroinvertebrates are sampled in streams and rivers as one of the assessment elements of the US Environmental Protection Agency's National Rivers and Streams Assessment. In a 2006 report, the recommendation was made that different yet comparable methods be evaluated for different types of streams (e.g., low gradient vs. high gradient). Consequently, a research element was added to the 2008-2009 National Rivers and Streams Assessment to conduct a side-by-side comparison of the standard macroinvertebrate sampling method with an alternate method specifically designed for low-gradient wadeable streams and rivers that focused more on stream edge habitat. Samples were collected using each method at 525 sites in five of nine aggregate ecoregions located in the conterminous USA. Methods were compared using the benthic macroinvertebrate multimetric index developed for the 2006 Wadeable Streams Assessment. Statistical analysis did not reveal any trends that would suggest the overall assessment of low-gradient streams on a regional or national scale would change if the alternate method was used rather than the standard sampling method, regardless of the gradient cutoff used to define low-gradient streams. Based on these results, the National Rivers and Streams Survey should continue to use the standard field method for sampling all streams.

  20. Distributed detection of temperature gradients with single-wavelength phase-sensitive OTDR and speckle analysis methods

    NASA Astrophysics Data System (ADS)

    Garcia-Ruiz, Andres; Pastor-Graells, Juan; Martins, Hugo F.; Martin-Lopez, Sonia; Gonzalez-Herraez, Miguel

    2016-05-01

    A method to evaluate distributed temperature gradients along an optical fiber using phase-sensitive optical time domain reflectometry (ΦOTDR) with direct detection is proposed and experimentally validated. The measurement principle derives from the perturbation response of a single-wavelength ΦOTDR signal, which is analyzed as a unidimensional speckle pattern. Our method can be implemented in real-time, relies solely on a low-cost post-processing of the standard ΦOTDR traces and requires no scanning of the laser frequency. This post-processing method can be implemented over a conventional ΦOTDR system used for distributed intrusion detection, without affecting its operation or requiring any additional hardware.

  1. Combination of density gradient centrifugation and swim-up methods effectively decreases morphologically abnormal sperms

    PubMed Central

    YAMANAKA, Masaya; TOMITA, Kazuhisa; HASHIMOTO, Shu; MATSUMOTO, Hiroshi; SATOH, Manabu; KATO, Hiromi; HOSOI, Yoshihiko; INOUE, Masayasu; NAKAOKA, Yoshiharu; MORIMOTO, Yoshiharu

    2016-01-01

    Density gradient centrifugation (DGC) and swim-up techniques have been reported for semen preparation in assisted reproductive techniques in humans. We investigated whether semen preparation using a combination of DGC and swim-up techniques could effectively decrease morphologically abnormal human sperms at the ultrastructural level. Semen samples were obtained from 16 infertile males and fractionated by swim-up following DGC. Ultrastructural abnormalities of sperms obtained from original semen, lower layer of swim-up following DGC, and upper layer of swim-up following DGC were analyzed by transmission electron microscopy. The correlation among ultrastructural head abnormality in sperms from the upper layer of swim-up, fertilization in in vitro fertilization, and pregnancy after embryo transfer was also investigated. Furthermore, sperms with DNA fragmentation in the samples processed via a combination of DGC and swim-up was assessed in a sperm chromatin structure assay. Ultrastructural abnormalities in sperm heads and tails in the upper layer after swim-up following DGC was the lowest among the three groups. Sperms with nuclear vacuoles were the most difficult to eliminate using a combination of DGC and swim-up in all types of head abnormalities. A negative correlation was confirmed between the fertilization rates of intracytoplasmic sperm injection and head abnormality of sperms obtained from the upper layer of the swim-up following DGC. Sperms with DNA fragmentation were effectively decreased using the combination of two techniques. In conclusion, the combination of DGC and swim-up effectively decreased the number of sperms with ultrastructural abnormalities both in the head and in the tail. However, sperms with ultrastructural abnormalities that cannot be completely decreased using a combination of DGC and swim-up may impair fertilization in some cases of intracytoplasmic sperm injection. PMID:27616283

  2. A comparison of methods for computing the sigma-coordinate pressure gradient force for flow over sloped terrain in a hybrid theta-sigma model

    NASA Technical Reports Server (NTRS)

    Johnson, D. R.; Uccellini, L. W.

    1983-01-01

    In connection with the employment of the sigma coordinates introduced by Phillips (1957), problems can arise regarding an accurate finite-difference computation of the pressure gradient force. Over steeply sloped terrain, the calculation of the sigma-coordinate pressure gradient force involves computing the difference between two large terms of opposite sign which results in large truncation error. To reduce the truncation error, several finite-difference methods have been designed and implemented. The present investigation has the objective to provide another method of computing the sigma-coordinate pressure gradient force. Phillips' method is applied for the elimination of a hydrostatic component to a flux formulation. The new technique is compared with four other methods for computing the pressure gradient force. The work is motivated by the desire to use an isentropic and sigma-coordinate hybrid model for experiments designed to study flow near mountainous terrain.

  3. Improving the accuracy of convexity splitting methods for gradient flow equations

    NASA Astrophysics Data System (ADS)

    Glasner, Karl; Orizaga, Saulo

    2016-06-01

    This paper introduces numerical time discretization methods which significantly improve the accuracy of the convexity-splitting approach of Eyre (1998) [7], while retaining the same numerical cost and stability properties. A first order method is constructed by iteration of a semi-implicit method based upon decomposing the energy into convex and concave parts. A second order method is also presented based on backwards differentiation formulas. Several extrapolation procedures for iteration initialization are proposed. We show that, under broad circumstances, these methods have an energy decreasing property, leading to good numerical stability. The new schemes are tested using two evolution equations commonly used in materials science: the Cahn-Hilliard equation and the phase field crystal equation. We find that our methods can increase accuracy by many orders of magnitude in comparison to the original convexity-splitting algorithm. In addition, the optimal methods require little or no iteration, making their computation cost similar to the original algorithm.

  4. Gradient Matching Methods for Computational Inference in Mechanistic Models for Systems Biology: A Review and Comparative Analysis.

    PubMed

    Macdonald, Benn; Husmeier, Dirk

    2015-01-01

    Parameter inference in mathematical models of biological pathways, expressed as coupled ordinary differential equations (ODEs), is a challenging problem in contemporary systems biology. Conventional methods involve repeatedly solving the ODEs by numerical integration, which is computationally onerous and does not scale up to complex systems. Aimed at reducing the computational costs, new concepts based on gradient matching have recently been proposed in the computational statistics and machine learning literature. In a preliminary smoothing step, the time series data are interpolated; then, in a second step, the parameters of the ODEs are optimized, so as to minimize some metric measuring the difference between the slopes of the tangents to the interpolants, and the time derivatives from the ODEs. In this way, the ODEs never have to be solved explicitly. This review provides a concise methodological overview of the current state-of-the-art methods for gradient matching in ODEs, followed by an empirical comparative evaluation based on a set of widely used and representative benchmark data.

  5. Preparation of doxorubicin-hydrochloride nanoliposomes by ethanol injection-pH gradient method and their safety evaluation.

    PubMed

    Xie, Ming; Chen, Yuxiang; Wu, Lixiang

    2013-01-01

    A new type of ethanol injection-pH gradient method was established to produce Doxorubicin-Hydrochloride Nanoliposome (DHNP). The characteristics of DHNP were examined by Zetasizer. The acute toxicity and chronic toxicity trials were conducted in Kuming mice with different doses of DHNP. The results showed that the DHNP had the uniform distribution size, diameter ranged in 140-170 nm, its entrapment rate could reach as high as 99.85%, and it was relatively stable in low temperature. The LD50 of the DHNP is 31.69 mg/kg. In the chronic toxicity study, body weight, hematocrit, the mean red blood cell volume, platelets counts and percentage of eosinophil at the dose of 6 mg/kg and 9 mg/kg groups were significantly different (p < 0.05) compared with control group, while the other parameters had no significantly difference. In the tissue analysis, pathological change was found in the lung at the treated group, and its pathological degree increased as the dose increased, while there were no other pathological changes detected in other tissues. This study demonstrates that the DHNP prepared by ethanol injection-pH gradient method possesses the advantage of uniform distribution size, high encapsulation efficiency, big drug loading rate, and its toxicity is lower than free doxorubicin.

  6. Gradient Matching Methods for Computational Inference in Mechanistic Models for Systems Biology: A Review and Comparative Analysis

    PubMed Central

    Macdonald, Benn; Husmeier, Dirk

    2015-01-01

    Parameter inference in mathematical models of biological pathways, expressed as coupled ordinary differential equations (ODEs), is a challenging problem in contemporary systems biology. Conventional methods involve repeatedly solving the ODEs by numerical integration, which is computationally onerous and does not scale up to complex systems. Aimed at reducing the computational costs, new concepts based on gradient matching have recently been proposed in the computational statistics and machine learning literature. In a preliminary smoothing step, the time series data are interpolated; then, in a second step, the parameters of the ODEs are optimized, so as to minimize some metric measuring the difference between the slopes of the tangents to the interpolants, and the time derivatives from the ODEs. In this way, the ODEs never have to be solved explicitly. This review provides a concise methodological overview of the current state-of-the-art methods for gradient matching in ODEs, followed by an empirical comparative evaluation based on a set of widely used and representative benchmark data. PMID:26636071

  7. A project to study SOC evolution after land use change combining chronosequence and gradient methods

    NASA Astrophysics Data System (ADS)

    Gabarron-Galeote, Miguel A.; van Wesemael, Bas

    2013-04-01

    In the last decades the interest in the global C budget has increased enormously and soils have a great importance in this issue since they contain about twice as much carbon as the atmosphere. Land use change (LUC) can cause a change in land cover and an associated change in carbon stocks in soils, so it has a major impact in the balance between inputs and outputs of soil organic carbon (SOC). Improved understanding of land-use impacts on the world's terrestrial carbon balance is thus a necessary part of the global effort to mitigate climate change. The aim of this project is to predict the effects of land use and land management change on (SOC) stocks, characterizing the soil organic carbon cycle and its relationship to the vegetal cover in croplands abandoned different years ago and under different Mediterranean climatic conditions in South of Spain. The study area is located in the Cordillera Bética Litoral, in South of Spain. In this area, a climatic gradient can be observed from West to East: from >1,500 mm year-1 in the Strait of Gibraltar to <250 mm year-1 in the Cabo de Gata. More specifically, the study is focussed on three different areas from the climatic conditions point of view: Gaucín (1010 mm year-1), Almogía, (576 mm year-1) and Gérgal (240 mm year-1). By means of the analyses of aerial photographs (1956, 1977, 1984, 1998 and 2009) all the experimental plots will be selected. After this procedure, the three study areas will be composed by experimental plots of these classes: a) Lands with natural vegetation since 1956. b) Abandoned lands between 1956 and 1977. c) Abandoned lands between 1977 and 1984. d) Abandoned lands between 1984 and 1998. e) Abandoned lands between 1998 and 2005. f) Cultivated lands since 1956. The main expected outcomes of the research project are the characterization of the temporal evolution of SOC in soils, the compilation of experimental areas under different Mediterranean climatic conditions, and the characterization

  8. Block-preconditioned conjugate-gradient-like methods for numerical reservoir simulation

    SciTech Connect

    Eisenstat, S.C.; Elman, H.C.; Schultz, M.H.

    1985-02-01

    The authors describe a collection of block-preconditioners for use in solving large sparse linear systems of equations by iterative methods, and they compare their performance with several point-preconditioners in solving some systems arising in numerical reservoir simulation. They consider block-preconditioners that handle either lines or planes in an implicit manner, and pointwise incomplete LU factorizations combined with partial elimination preprocessors. Their conclusions are that the best of the pointwise methods are both more robust and faster, but that the best of the block methods are competitive for certain orderings of unknowns and require less storage.

  9. Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Rajat K.; Chattopadhyay, Sudip; Mahapatra, Uttam Sinha; Freed, Karl F.

    2010-01-01

    The improved virtual orbital-complete active space configuration interaction (IVO-CASCI) method is extended to determine the geometry and vibrational frequencies for ground and excited electronic states using an analytical total energy gradient scheme involving both first and second order analytical derivatives. Illustrative applications consider the ground state geometries of the benzene (C6H6), biphenyl (C12H10), and alanine dipeptide (CH3CONHCHCH3CONHCH3) molecules. In addition, the IVO-CASCI geometry optimization has been performed for the first excited singlet (B12u) and triplet states (B31u) of benzene to assess its applicability for excited and open-shell systems. The D6h symmetry benzene triplet optimization produces a saddle point, and a descent along the unstable mode produces the stable minimum. Comparisons with Hartree-Fock, second order Möller-Plesset perturbation theory, complete active space self-consistent field (CASSCF), and density functional theory demonstrate that the IVO-CASCI approach generally fares comparable to or better for all systems studied. The vibrational frequencies of the benzene and biphenyl molecules computed with the analytical gradient based IVO-CASCI method agree with the experiment and with other accurate theoretical estimates. Satisfactory agreement between our results, other benchmark calculations, and available experiment demonstrates the efficacy and potential of the method. The close similarity between CASSCF and IVO-CASCI optimized geometries and the greater computational efficiency of the IVO-CASCI method suggests the replacement of CASSCF treatments by the IVO-CASCI approach, which is free from the convergence problems that often plague CASSCF treatments.

  10. On finding a density in a curvilinear layer by biconjugate gradient type methods

    NASA Astrophysics Data System (ADS)

    Akimova, Elena N.; Martyshko, Peter S.; Misilov, Vladimir E.

    2017-07-01

    An efficient parallel algorithm based on BiCG-type methods for solving the inverse gravity problem of finding a variable density in a curvilinear layer using gravitational data is constructed. It is based on the results of field theory, theory of ill-posed inverse problems and numerical optimization. Utilizing this algorithm drastically reduces the computation time in comparison with the steepest descent method. The parallel algorithm was implemented using the Uran supercomputer. A model problem with synthetic gravitational data was solved.

  11. Performance of quantitative vegetation sampling methods across gradients of cover in Great Basin plant communities

    USGS Publications Warehouse

    Pilliod, David S.; Arkle, Robert S.

    2013-01-01

    Resource managers and scientists need efficient, reliable methods for quantifying vegetation to conduct basic research, evaluate land management actions, and monitor trends in habitat conditions. We examined three methods for quantifying vegetation in 1-ha plots among different plant communities in the northern Great Basin: photography-based grid-point intercept (GPI), line-point intercept (LPI), and point-quarter (PQ). We also evaluated each method for within-plot subsampling adequacy and effort requirements relative to information gain. We found that, for most functional groups, percent cover measurements collected with the use of LPI, GPI, and PQ methods were strongly correlated. These correlations were even stronger when we used data from the upper canopy only (i.e., top “hit” of pin flags) in LPI to estimate cover. PQ was best at quantifying cover of sparse plants such as shrubs in early successional habitats. As cover of a given functional group decreased within plots, the variance of the cover estimate increased substantially, which required more subsamples per plot (i.e., transect lines, quadrats) to achieve reliable precision. For GPI, we found that that six–nine quadrats per hectare were sufficient to characterize the vegetation in most of the plant communities sampled. All three methods reasonably characterized the vegetation in our plots, and each has advantages depending on characteristics of the vegetation, such as cover or heterogeneity, study goals, precision of measurements required, and efficiency needed.

  12. Krylov-Subspace Recycling via the POD-Augmented Conjugate-Gradient Method

    DOE PAGES

    Carlberg, Kevin; Forstall, Virginia; Tuminaro, Ray

    2016-01-01

    This paper presents a new Krylov-subspace-recycling method for efficiently solving sequences of linear systems of equations characterized by varying right-hand sides and symmetric-positive-definite matrices. As opposed to typical truncation strategies used in recycling such as deflation, we propose a truncation method inspired by goal-oriented proper orthogonal decomposition (POD) from model reduction. This idea is based on the observation that model reduction aims to compute a low-dimensional subspace that contains an accurate solution; as such, we expect the proposed method to generate a low-dimensional subspace that is well suited for computing solutions that can satisfy inexact tolerances. In particular, we proposemore » specific goal-oriented POD `ingredients' that align the optimality properties of POD with the objective of Krylov-subspace recycling. To compute solutions in the resulting 'augmented' POD subspace, we propose a hybrid direct/iterative three-stage method that leverages 1) the optimal ordering of POD basis vectors, and 2) well-conditioned reduced matrices. Numerical experiments performed on solid-mechanics problems highlight the benefits of the proposed method over existing approaches for Krylov-subspace recycling.« less

  13. Krylov-Subspace Recycling via the POD-Augmented Conjugate-Gradient Method

    SciTech Connect

    Carlberg, Kevin; Forstall, Virginia; Tuminaro, Ray

    2016-01-01

    This paper presents a new Krylov-subspace-recycling method for efficiently solving sequences of linear systems of equations characterized by varying right-hand sides and symmetric-positive-definite matrices. As opposed to typical truncation strategies used in recycling such as deflation, we propose a truncation method inspired by goal-oriented proper orthogonal decomposition (POD) from model reduction. This idea is based on the observation that model reduction aims to compute a low-dimensional subspace that contains an accurate solution; as such, we expect the proposed method to generate a low-dimensional subspace that is well suited for computing solutions that can satisfy inexact tolerances. In particular, we propose specific goal-oriented POD `ingredients' that align the optimality properties of POD with the objective of Krylov-subspace recycling. To compute solutions in the resulting 'augmented' POD subspace, we propose a hybrid direct/iterative three-stage method that leverages 1) the optimal ordering of POD basis vectors, and 2) well-conditioned reduced matrices. Numerical experiments performed on solid-mechanics problems highlight the benefits of the proposed method over existing approaches for Krylov-subspace recycling.

  14. Reliability optimization design of distribution systems via multi-level hierarchical procedures and generalized reduced gradient method

    SciTech Connect

    Su, C.T.; Lii, G.R.

    1995-12-31

    The purpose of this paper is to develop an optimization method for reliable design of substations. Reliability indices used are failure rate and interruption duration, which are commonly used in the distribution systems. Through applying the proposed method, the optimal reliability indices of apparatus are obtained, which minimize the total cost comprising apparatus investment cost and interruption cost, and also satisfy reliability constraints of load point. Three kinds of interruption cost including initial interruption cost, outage frequency cost and interruption duration cost are considered. The optimization technique employed in this paper to solve the nonlinear programming problems is the Generalized Reduced Gradient (GRG) method. For simplification of computation of large or complex systems, the multi-level hierarchical optimization is applied. It starts by dividing the system into several subsystems, and finds the optimal reliability indices for subsystems. Then by repeatedly taking the previous subsystem as the following system and the previous constituent as the following subsystem, and applying the GRG method, the authors can finally find the desired reliability indices for components of the primitive system. To demonstrate the application of the method, a secondary substation of the Taiwan Power Company is taken as an example, computation results of the application example show that the interruption cost is effectively reduced. The proposed method is applicable to existing substation expansion and new substation establishment.

  15. Improvement of the variable storage coefficient method with water surface gradient as a variable

    USDA-ARS?s Scientific Manuscript database

    The variable storage coefficient (VSC) method has been used for streamflow routing in continuous hydrological simulation models such as the Agricultural Policy/Environmental eXtender (APEX) and the Soil and Water Assessment Tool (SWAT) for more than 30 years. APEX operates on a daily time step and ...

  16. Field-gradient partitioning for fracture and frictional contact in the material point method: Field-gradient partitioning for fracture and frictional contact in the material point method [Fracture and frictional contact in material point method using damage-field gradients for velocity-field partitioning

    DOE PAGES

    Homel, Michael A.; Herbold, Eric B.

    2016-08-15

    Contact and fracture in the material point method require grid-scale enrichment or partitioning of material into distinct velocity fields to allow for displacement or velocity discontinuities at a material interface. We present a new method which a kernel-based damage field is constructed from the particle data. The gradient of this field is used to dynamically repartition the material into contact pairs at each node. Our approach avoids the need to construct and evolve explicit cracks or contact surfaces and is therefore well suited to problems involving complex 3-D fracture with crack branching and coalescence. A straightforward extension of this approachmore » permits frictional ‘self-contact’ between surfaces that are initially part of a single velocity field, enabling more accurate simulation of granular flow, porous compaction, fragmentation, and comminution of brittle materials. Finally, numerical simulations of self contact and dynamic crack propagation are presented to demonstrate the accuracy of the approach.« less

  17. Field-gradient partitioning for fracture and frictional contact in the material point method: Field-gradient partitioning for fracture and frictional contact in the material point method [Fracture and frictional contact in material point method using damage-field gradients for velocity-field partitioning

    SciTech Connect

    Homel, Michael A.; Herbold, Eric B.

    2016-08-15

    Contact and fracture in the material point method require grid-scale enrichment or partitioning of material into distinct velocity fields to allow for displacement or velocity discontinuities at a material interface. We present a new method which a kernel-based damage field is constructed from the particle data. The gradient of this field is used to dynamically repartition the material into contact pairs at each node. Our approach avoids the need to construct and evolve explicit cracks or contact surfaces and is therefore well suited to problems involving complex 3-D fracture with crack branching and coalescence. A straightforward extension of this approach permits frictional ‘self-contact’ between surfaces that are initially part of a single velocity field, enabling more accurate simulation of granular flow, porous compaction, fragmentation, and comminution of brittle materials. Finally, numerical simulations of self contact and dynamic crack propagation are presented to demonstrate the accuracy of the approach.

  18. Novel, cyclic heat dissipation method for the correction of natural temperature gradients in sap flow measurements. Part 2. Laboratory validation.

    PubMed

    Reyes-Acosta, J Leonardo; Vandegehuchte, Maurits W; Steppe, Kathy; Lubczynski, Maciek W

    2012-07-01

    Sap flow measurements conducted with thermal dissipation probes (TDPs) are vulnerable to natural temperature gradient (NTG) bias. Few studies, however, attempted to explain the dynamics underlying the NTG formation and its influence on the sensors' signal. This study focused on understanding how the TDP signals are affected by negative and positive temperature influences from NTG and tested the novel cyclic heat dissipation (CHD) method to filter out the NTG bias. A series of three experiments were performed in which gravity-driven water flow was enforced on freshly cut stem segments of Fagus sylvatica L., while an artificial temperature gradient (ATG) was induced. The first experiment sought to confirm the incidence of the ATG on sensors. The second experiment established the mis-estimations caused by the biasing effect of the ATG on standard TDP measurements. The third experiment tested the accuracy of the CHD method to account for the ATG biasing effect, as compared with other cyclic correction methods. During experiments, sap flow measured by TDP was assessed against gravimetric measurements. The results show that negative and positive ATGs were comparable in pattern but substantially larger than field NTGs. Second, the ATG bias caused an overestimation of the standard TDP sap flux density of ∼17 cm(3) cm(-2) h(-1) by 76%, and the sap flux density of ∼2 cm(3) cm(-2) h(-1) by over 800%. Finally, the proposed CHD method successfully reduced the max. ATG bias to 25% at ∼11 cm(3) cm(-2) h(-1) and to 40% at ∼1 cm(3) cm(-2) h(-1). We concluded that: (i) the TDP method is susceptible to NTG especially at low flows; (ii) the CHD method successfully corrected the TDP signal and resulted in generally more accurate sap flux density estimates (mean absolute percentage error ranging between 11 and 21%) than standard constant power TDP method and other cyclic power methods; and (iii) the ATG enforcing system is a suitable way of re-creating NTG for future tests.

  19. The Spectrophotometric Method of Determining the Transmission of Solar Energy in Salt Gradient Solar Ponds

    NASA Technical Reports Server (NTRS)

    Giulianelli, J.

    1984-01-01

    In order to predict the thermal efficiency of a solar pond it is necessary to know total average solar energy reaching the storage layer. One method for determining this energy for water containing dissolved colored species is based upon spectral transmission measurements using a laboratory spectrophotometer. This method is examined and some of the theoretical ground work needed to discuss the measurement of transmission of light water. Results of in situ irradiance measurements from oceanography research are presented and the difficulties inherent in extrapolating laboratory data obtained with ten centimeter cells to real three dimensional pond situations is discussed. Particular emphasis is put on the need to account for molecular and particulate scattering in measurements done on low absorbing solutions. Despite these considerations it is expected that attenuation calculations based upon careful measurements using a dual beam spectrophotometer technique combined with known attenuation coefficients will be useful in solar pond modeling and monitoring for color buildup. Preliminary results using the CSM method are presented.

  20. The Spectrophotometric Method of Determining the Transmission of Solar Energy in Salt Gradient Solar Ponds

    NASA Technical Reports Server (NTRS)

    Giulianelli, J.

    1984-01-01

    In order to predict the thermal efficiency of a solar pond it is necessary to know total average solar energy reaching the storage layer. One method for determining this energy for water containing dissolved colored species is based upon spectral transmission measurements using a laboratory spectrophotometer. This method is examined and some of the theoretical ground work needed to discuss the measurement of transmission of light water. Results of in situ irradiance measurements from oceanography research are presented and the difficulties inherent in extrapolating laboratory data obtained with ten centimeter cells to real three dimensional pond situations is discussed. Particular emphasis is put on the need to account for molecular and particulate scattering in measurements done on low absorbing solutions. Despite these considerations it is expected that attenuation calculations based upon careful measurements using a dual beam spectrophotometer technique combined with known attenuation coefficients will be useful in solar pond modeling and monitoring for color buildup. Preliminary results using the CSM method are presented.

  1. Two-step reconstruction method using global optimization and conjugate gradient for ultrasound-guided diffuse optical tomography.

    PubMed

    Tavakoli, Behnoosh; Zhu, Quing

    2013-01-01

    Ultrasound-guided diffuse optical tomography (DOT) is a promising method for characterizing malignant and benign lesions in the female breast. We introduce a new two-step algorithm for DOT inversion in which the optical parameters are estimated with the global optimization method, genetic algorithm. The estimation result is applied as an initial guess to the conjugate gradient (CG) optimization method to obtain the absorption and scattering distributions simultaneously. Simulations and phantom experiments have shown that the maximum absorption and reduced scattering coefficients are reconstructed with less than 10% and 25% errors, respectively. This is in contrast with the CG method alone, which generates about 20% error for the absorption coefficient and does not accurately recover the scattering distribution. A new measure of scattering contrast has been introduced to characterize benign and malignant breast lesions. The results of 16 clinical cases reconstructed with the two-step method demonstrates that, on average, the absorption coefficient and scattering contrast of malignant lesions are about 1.8 and 3.32 times higher than the benign cases, respectively.

  2. Growth of single crystal with a gradient of concentration of impurities by the Czochralski method using additional liquid charging

    NASA Astrophysics Data System (ADS)

    Galutskiy, V. V.; Vatlina, M. I.; Stroganova, E. V.

    2009-02-01

    Er- and Yb-doped congruent LiNbO 3 (CLN) single crystals and Cr 3+- and Mg 2+-doped stoichiometric LiNbO 3 (SLN) single crystals were grown by the Czochralski method using additional liquid charging. Changes in the absorption spectra of the transitions 2F 7/2→ 2F 5/2 in Yb 3+ ions and 4I 15/2→ 2H 11/2 in Er 3+ ions along the length of a single-crystal plate correlate with a specific gradient of concentration of Yb 3+ and Er 3+ ions in the crystal. The correlation of the absorption spectra of the optical centers of Cr 3+ ions in stoichiometric LiNbO 3 single crystals with the content of magnesium along the length of the crystal is reported.

  3. Fabrication of gradient refractive index ball lenses using the method of combination of ion exchanging and sagging

    NASA Astrophysics Data System (ADS)

    Hao, Lv; Bangren, Shi; Jijiang, Wu; Lijun, Guo; Aimei, Liu

    2007-08-01

    Based on the Fick's diffusion equations, the distribution function of refractive index of a gradient refractive index ball lens (GRIN ball lens/GBL) is derived. Lithium containing silicate glass is fabricated and GRIN ball lenses (GBLs) which diameters are from 0.3 mm to 3.0 mm are made by the method of combination of Ion exchanging and sagging in sodium nitrate. Refractive index profiles of these GBLs are measured by interferometer, and the performances such as effective focal length (EFL), back focal length (BFL) and numerical aperture (NA) between GBLs and homogeneous ball lenses (HBLs) are compared. Results show that the distribution of the index of refraction is parabolic curve and its Δn is about 0.0002, the performances of the former are super to the latter.

  4. Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur; Sherrill, C. David

    2017-07-01

    An efficient implementation of analytic gradients for the coupled-cluster singles and doubles with perturbative triples [CCSD(T)] method with the density-fitting (DF) approximation, denoted as DF-CCSD(T), is reported. For the molecules considered, the DF approach substantially accelerates conventional CCSD(T) analytic gradients due to the reduced input/output time and the acceleration of the so-called "gradient terms": formation of particle density matrices (PDMs), computation of the generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the effective PDMs and GFM, back-transformation of the PDMs and GFM, from the molecular orbital to the atomic orbital (AO) basis, and computation of gradients in the AO basis. For the largest member of the molecular test set considered (C6H14), the computational times for analytic gradients (with the correlation-consistent polarized valence triple-ζ basis set in serial) are 106.2 [CCSD(T)] and 49.8 [DF-CCSD(T)] h, a speedup of more than 2-fold. In the evaluation of gradient terms, the DF approach completely avoids the use of four-index two-electron integrals. Similar to our previous studies on DF-second-order Møller-Plesset perturbation theory and DF-CCSD gradients, our formalism employs 2- and 3-index two-particle density matrices (TPDMs) instead of 4-index TPDMs. Errors introduced by the DF approximation are negligible for equilibrium geometries and harmonic vibrational frequencies.

  5. Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation.

    PubMed

    Bozkaya, Uğur; Sherrill, C David

    2017-07-28

    An efficient implementation of analytic gradients for the coupled-cluster singles and doubles with perturbative triples [CCSD(T)] method with the density-fitting (DF) approximation, denoted as DF-CCSD(T), is reported. For the molecules considered, the DF approach substantially accelerates conventional CCSD(T) analytic gradients due to the reduced input/output time and the acceleration of the so-called "gradient terms": formation of particle density matrices (PDMs), computation of the generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the effective PDMs and GFM, back-transformation of the PDMs and GFM, from the molecular orbital to the atomic orbital (AO) basis, and computation of gradients in the AO basis. For the largest member of the molecular test set considered (C6H14), the computational times for analytic gradients (with the correlation-consistent polarized valence triple-ζ basis set in serial) are 106.2 [CCSD(T)] and 49.8 [DF-CCSD(T)] h, a speedup of more than 2-fold. In the evaluation of gradient terms, the DF approach completely avoids the use of four-index two-electron integrals. Similar to our previous studies on DF-second-order Møller-Plesset perturbation theory and DF-CCSD gradients, our formalism employs 2- and 3-index two-particle density matrices (TPDMs) instead of 4-index TPDMs. Errors introduced by the DF approximation are negligible for equilibrium geometries and harmonic vibrational frequencies.

  6. Comparison of gradient methods for gain tuning of a PD controller applied on a quadrotor system

    NASA Astrophysics Data System (ADS)

    Kim, Jinho; Wilkerson, Stephen A.; Gadsden, S. Andrew

    2016-05-01

    Many mechanical and electrical systems have utilized the proportional-integral-derivative (PID) control strategy. The concept of PID control is a classical approach but it is easy to implement and yields a very good tracking performance. Unmanned aerial vehicles (UAVs) are currently experiencing a significant growth in popularity. Due to the advantages of PID controllers, UAVs are implementing PID controllers for improved stability and performance. An important consideration for the system is the selection of PID gain values in order to achieve a safe flight and successful mission. There are a number of different algorithms that can be used for real-time tuning of gains. This paper presents two algorithms for gain tuning, and are based on the method of steepest descent and Newton's minimization of an objective function. This paper compares the results of applying these two gain tuning algorithms in conjunction with a PD controller on a quadrotor system.

  7. Numerical modeling of void migration in solids due to temperature gradient using the boundary element method

    SciTech Connect

    Dong, Y.; Tagavi, K.A.; Wu, T.W.; Chow, L.C.

    1996-09-01

    Voids (a kind of flaw) are not desired in the products of many industrial and manufacturing processes. In this article, the authors seek effective ways to remove the void by modeling the void migration and predicting the intermediate and the final shape of the cavity. The boundary element method (BEM) is applied to the quasi-steady state void migration process governed by Laplace`s equation. The conduction solution depends on the void shape, and the void shape depends on the conduction solution. Hence this is a conjugate problem. The analytical formulation and the numerical approach are outlined. The Overhauser spline elements are used in the BEM to ensure continuous first-order derivatives on the void boundary. Given the material properties, geometry of the physical model, and boundary conditions, this computer model can predict detailed information such as flux, velocity and direction of void motion, and temperature at any stage of the void migration. Different strategies for void removal are investigated.

  8. Gradient perception of children's productions of /s/ and /θ/: A comparative study of rating methods.

    PubMed

    Schellinger, Sarah K; Munson, Benjamin; Edwards, Jan

    2017-01-01

    Past studies have shown incontrovertible evidence for the existence of covert contrasts in children's speech, i.e. differences between target productions that are nonetheless transcribed with the same phonetic symbol. Moreover, there is evidence that these are relevant to forming prognoses and tracking progress in children with speech sound disorder. A challenge remains to determine the most efficient and reliable methods for assessing covert contrasts. This study investigates how readily listeners can identify covert contrasts in children's speech when using a continuous rating scale in the form of a visual analogue scale (VAS) to denote children's productions. Individual listeners' VAS responses were found to correlate statistically significantly with a variety of continuous measures of children's production accuracy, including judgements of binary accuracy pooled over a large set of listeners. These findings reinforce the growing body of evidence that VAS judgements are potentially useful clinical measures of covert contrast.

  9. Predicting resist sensitivity to chemical flare effects though use of exposure density gradient method

    NASA Astrophysics Data System (ADS)

    Hyatt, Michael; DeVilliers, Anton; Jain, Kaveri

    2011-04-01

    Chemical flare has been shown to be a process limiter for patterns that are surrounded by areas of unexposed resist for certain chemically amplified resists. Using a pattern known to be susceptible to chemical flare effect a method was developed and tested on several materials. Details of the testing patterns, consisting of placements of small and large pattern density areas set to provide multiple degrees of resist loading; and a second level of loading variation achieved by selective exposure locations of those patterns across the wafer are given. Descriptions of the determination of slopes from linear trend-lines of the critical dimensions responses can be used to provide a gauge for internal evaluations as well as feedback to the vendors for chemical flare sensitivity.

  10. Bulk Crystal Growth of Nonlinear Optical Organic Materials Using Inverted Vertical Gradient Freeze Method

    NASA Technical Reports Server (NTRS)

    Choi, J.; Cruz, Magda; Metzl, R.; Wang, W. S.; Aggarwal, M. D.; Penn, Benjamin G.; Frazier, Donald O.

    1998-01-01

    A new process for producing large bulk single crystals of benzil (C6H5COCOC6H5) is reported in this paper. Good quality crystals have been successfully grown using this approach to crystal growth. This method seems to be very promising for other thermally stable NLO organic materials also. The entire contents vycor crucible 1.5 inch in diameter and 2 inch deep was converted to single crystal. Purity of the starting growth material is also an important factor in the final quality of the grown crystals. The entire crystal can be very easily taken out of the crucible by simple maneuvering. Initial characterization of the grown crystals indicated that the crystals are as good as other crystals grown by conventional Bridgman Stockbarger technique.

  11. Full-field measurement of surface topographies and thin film stresses at elevated temperatures by digital gradient sensing method.

    PubMed

    Zhang, Changxing; Qu, Zhe; Fang, Xufei; Feng, Xue; Hwang, Keh-Chih

    2015-02-01

    Thin film stresses in thin film/substrate systems at elevated temperatures affect the reliability and safety of such structures in microelectronic devices. The stresses result from the thermal mismatch strain between the film and substrate. The reflection mode digital gradient sensing (DGS) method, a real-time, full-field optical technique, measures deformations of reflective surface topographies. In this paper, we developed this method to measure topographies and thin film stresses of thin film/substrate systems at elevated temperatures. We calibrated and compensated for the air convection at elevated temperatures, which is a serious problem for optical techniques. We covered the principles for surface topography measurements by the reflection mode DGS method at elevated temperatures and the governing equations to remove the air convection effects. The proposed method is applied to successfully measure the full-field topography and deformation of a NiTi thin film on a silicon substrate at elevated temperatures. The evolution of thin film stresses obtained by extending Stoney's formula implies the "nonuniform" effect the experimental results have shown.

  12. New method to estimate paleoprecipitation using fossil amphibians and reptiles and the middle and late Miocene precipitation gradients in Europe

    NASA Astrophysics Data System (ADS)

    Böhme, M.; Ilg, A.; Ossig, A.; Küchenhoff, H.

    2006-06-01

    Existing methods for determining paleoprecipitation are subject to large errors (±350 400 mm or more using mammalian proxies), or are restricted to wet climate systems due to their strong facies dependence (paleobotanical proxies). Here we describe a new paleoprecipitation tool based on an indexing of ecophysiological groups within herpetological communities. In recent communities these indices show a highly significant correlation to annual precipitation (r2 = 0.88), and yield paleoprecipitation estimates with average errors of ±250 280 mm. The approach was validated by comparison with published paleoprecipitation estimates from other methods. The method expands the application of paleoprecipitation tools to dry climate systems and in this way contributes to the establishment of a more comprehensive paleoprecipitation database. This method is applied to two high-resolution time intervals from the European Neogene: the early middle Miocene (early Langhian) and the early late Miocene (early Tortonian). The results indicate that both periods show significant meridional precipitation gradients in Europe, these being stronger in the early Langhian (threefold decrease toward the south) than in the early Tortonian (twofold decrease toward the south). This pattern indicates a strengthening of climatic belts during the middle Miocene climatic optimum due to Southern Hemisphere cooling and an increased contribution of Arctic low-pressure cells to the precipitation from the late Miocene onward due to Northern Hemisphere cooling.

  13. An automated method for producing synoptic regional maps of river gradient variation: Procedure, accuracy tests, and comparison with other knickpoint mapping methods

    NASA Astrophysics Data System (ADS)

    Gonga-Saholiariliva, Nahossio; Gunnell, Yanni; Harbor, David; Mering, Catherine

    2011-11-01

    The study of abrupt changes in longitudinal river profiles, or knickpoints, is currently approached through an empirical power law: the slope-area relationship. Results based on digital elevation model (DEM) analyses and stream extractions are generally intended to determine crustal uplift rates and identify transient landscape conditions. In this article, we present an alternative geomorphometric method for locating knickpoints and knickzones based on local slope gradient and curvature attributes. Intended as a rapid, regional scale, automated knickpoint detection technique, the accuracy of this slope-curvature method is tested on two digital elevation grids, NASA's SRTM (ground resolution of 90 m, resampled here to 75 m) and the ASTER DEM (15 m) in the Sierra Nacimiento (New Mexico, USA), a basement-cored mountain range recently exhumed by waves of headward drainage integration in response to remote tectonic deformation in the adjacent Rio Grande rift. Out of every 10 gradient anomalies detected by the SRTM-derived numeric routine, up to 8 are certifiable knickpoints recognized among a population of georeferenced occurrences surveyed in the field. An independent comparison with the slope-area method provided a further accuracy test, which was particularly useful at sites that could not be validated in the field for practical reasons. Given the low tectonic activity of the study area, the majority of knickpoints was also found to coincide with lithologic boundaries, making it difficult without further geomorphological data to single out dynamic knickpoints directly caused by the upstream propagation of channel instabilities relating to base level change.

  14. Computerized detection of noncalcified plaques in coronary CT angiography: Evaluation of topological soft gradient prescreening method and luminal analysis

    SciTech Connect

    Wei, Jun Zhou, Chuan; Chan, Heang-Ping; Chughtai, Aamer; Agarwal, Prachi; Kuriakose, Jean; Hadjiiski, Lubomir; Patel, Smita; Kazerooni, Ella

    2014-08-15

    Purpose: The buildup of noncalcified plaques (NCPs) that are vulnerable to rupture in coronary arteries is a risk for myocardial infarction. Interpretation of coronary CT angiography (cCTA) to search for NCP is a challenging task for radiologists due to the low CT number of NCP, the large number of coronary arteries, and multiple phase CT acquisition. The authors conducted a preliminary study to develop machine learning method for automated detection of NCPs in cCTA. Methods: With IRB approval, a data set of 83 ECG-gated contrast enhanced cCTA scans with 120 NCPs was collected retrospectively from patient files. A multiscale coronary artery response and rolling balloon region growing (MSCAR-RBG) method was applied to each cCTA volume to extract the coronary arterial trees. Each extracted vessel was reformatted to a straightened volume composed of cCTA slices perpendicular to the vessel centerline. A topological soft-gradient (TSG) detection method was developed to prescreen for NCP candidates by analyzing the 2D topological features of the radial gradient field surface along the vessel wall. The NCP candidates were then characterized by a luminal analysis that used 3D geometric features to quantify the shape information and gray-level features to evaluate the density of the NCP candidates. With machine learning techniques, useful features were identified and combined into an NCP score to differentiate true NCPs from false positives (FPs). To evaluate the effectiveness of the image analysis methods, the authors performed tenfold cross-validation with the available data set. Receiver operating characteristic (ROC) analysis was used to assess the classification performance of individual features and the NCP score. The overall detection performance was estimated by free response ROC (FROC) analysis. Results: With our TSG prescreening method, a prescreening sensitivity of 92.5% (111/120) was achieved with a total of 1181 FPs (14.2 FPs/scan). On average, six features

  15. Direct method of design and stress analysis of rotating disks with temperature gradient

    NASA Technical Reports Server (NTRS)

    Manson, S S

    1950-01-01

    A method is presented for the determination of the contour of disks, typified by those of aircraft gas turbines, to incorporate arbitrary elastic-stress distributions resulting from either centrifugal or combined centrifugal and thermal effects. The specified stress may be radial, tangential, or any combination of the two. Use is made of the finite-difference approach in solving the stress equations, the amount of computation necessary in the evolution of a design being greatly reduced by the judicious selection of point stations by the aid of a design chart. Use of the charts and of a preselected schedule of point stations is also applied to the direct problem of finding the elastic and plastic stress distribution in disks of a given design, thereby effecting a great reduction in the amount of calculation. Illustrative examples are presented to show computational procedures in the determination of a new design and in analyzing an existing design for elastic stress and for stresses resulting from plastic flow.

  16. RP-LC gradient elution method for simultaneous determination of thiocolchicoside, aceclofenac and related impurities in tablet formulation

    PubMed Central

    Karbhari, Pradnya A.; Joshi, Sneha J.; Bhoir, Suvarna I.

    2014-01-01

    Objective: The aim of the present study is to develop a simple and precise HPLC method for simultaneous determination of thiocolchicoside, aceclofenac and related impurities in a tablet formulation and validate as per ICH guidelines. The aim of study extends to perform forced degradation study to trace the degradation pathways of potential degradant impurities. Materials and Methods: The separation was achieved on a 4.6 mm × 100 mm, 3 μm C18 column at 40°C with the mobile phase containing 0.1 M ammonium acetate buffer and methanol in a gradient mode at a flow rate of 1.0 mL min−1. The UV detection was carried out at 257 nm. Results: Acelofenac, thiocolchicoside and their related compounds were well separated from each other with good resolution and symmetry factor without interference of excipients. The method for assay was linear in the range of 10-200 μg mL−1 for aceclofenac and 0.4 to 8 μg mL−1 for thiocolchicoside. Conclusion: The method was validated according to ICH guidelines and the acceptance criteria for accuracy, precision, linearity, specificity, robustness, ruggedness and system suitability were met in all cases. The method was highly specific, as two related compounds of thiocolchicoside and nine related compounds of aceclofenac were well separated from each other. Stress study ensured the specificity of the method as the unknown degradation products formed during stress studies did not interfere with the determination of thiocolchicoside and aceclofenac, thus proving the stability indicating capacity of the method. PMID:25400407

  17. Applications of the conjugate gradient FFT method in scattering and radiation including simulations with impedance boundary conditions

    NASA Technical Reports Server (NTRS)

    Barkeshli, Kasra; Volakis, John L.

    1991-01-01

    The theoretical and computational aspects related to the application of the Conjugate Gradient FFT (CGFFT) method in computational electromagnetics are examined. The advantages of applying the CGFFT method to a class of large scale scattering and radiation problems are outlined. The main advantages of the method stem from its iterative nature which eliminates a need to form the system matrix (thus reducing the computer memory allocation requirements) and guarantees convergence to the true solution in a finite number of steps. Results are presented for various radiators and scatterers including thin cylindrical dipole antennas, thin conductive and resistive strips and plates, as well as dielectric cylinders. Solutions of integral equations derived on the basis of generalized impedance boundary conditions (GIBC) are also examined. The boundary conditions can be used to replace the profile of a material coating by an impedance sheet or insert, thus, eliminating the need to introduce unknown polarization currents within the volume of the layer. A general full wave analysis of 2-D and 3-D rectangular grooves and cavities is presented which will also serve as a reference for future work.

  18. Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method.

    NASA Astrophysics Data System (ADS)

    Freed, Karl; Chaudhuri, Rajat

    2010-03-01

    The improved virtual orbital-complete active space configuration interaction (IVO-CASCI) method is extended to determine the geometry and vibrational frequencies for ground and excited electronic states using an analytical total energy gradient scheme involving both first and second order analytical derivatives. Illustrative applications consider the ground state geometries of the benzene, biphenyl, and alanine dipeptide molecules and the first excited singlet and triplet states of benzene. Comparisons with Hartree-Fock, second order Moller-Plesset perturbation theory, complete active space self-consistent field (CASSCF), and density functional theory demonstrate that the IVO-CASCI approach generally fares comparable to or better for all systems studied, demonstrating the efficacy and potential of the method. The close similarity between CASSCF and IVO-CASCI optimized geometries and the greater computational efficiency of the IVO-CASCI method suggests the replacement of CASSCF treatments by the IVO-CASCI approach which is free of the convergence problems that often plague CASSCF treatments.

  19. Method to predict the bandwidth of elution profile under the linear gradient elution in reversed-phase HPLC.

    PubMed

    Lee, Ju Weon; Row, Kyung Ho

    2009-01-01

    Solute migration in a chromatographic column is an important consideration when designing batch or continuous chromatographic separation processes. Most design methods for the chromatographic processes are based on the equilibrium theory which concerns only the migration velocity of the solute. However, in real cases, it is important to predict the zone spreading which occurs by axial dispersion and mass transfer resistance. To predict the actual solute profiles in the column or effluent stream, numerical methods to solve nonlinear partial differential equations have been used. However, these methods involve much time and expense. In this work, two different rate factors are considered to predict the characteristics of the solute profiles. The first is solute migration velocity and the second is the zone spreading rate. The zone spreading rate can be estimated by the apparent axial dispersion coefficient which is obtained from the height of the equivalent theoretical plate in particular. Four benzene derivatives (benzene, toluene, p-xylene, and acetophenone) were used as model solutes, and two mobile phase systems, water/methanol and water/ACN, were used in RP-HPLC. The bandwidths and retention times of the solutes were predicted under several linear gradient conditions. The predicted and experimental bandwidths and retention times showed good agreement.

  20. A sensitivity function-based conjugate gradient method for optical tomography with the frequency-domain equation of radiative transfer

    NASA Astrophysics Data System (ADS)

    Kim, Hyun Keol; Charette, André

    2007-03-01

    The Sensitivity Function-based Conjugate Gradient Method (SFCGM) is described. This method is used to solve the inverse problems of function estimation, such as the local maps of absorption and scattering coefficients, as applied to optical tomography for biomedical imaging. A highly scattering, absorbing, non-reflecting, non-emitting medium is considered here and simultaneous reconstructions of absorption and scattering coefficients inside the test medium are achieved with the proposed optimization technique, by using the exit intensity measured at boundary surfaces. The forward problem is solved with a discrete-ordinates finite-difference method on the framework of the frequency-domain full equation of radiative transfer. The modulation frequency is set to 600 MHz and the frequency data, obtained with the source modulation, is used as the input data. The inversion results demonstrate that the SFCGM can retrieve simultaneously the spatial distributions of optical properties inside the medium within a reasonable accuracy, by significantly reducing a cross-talk between inter-parameters. It is also observed that the closer-to-detector objects are better retrieved.

  1. Sucrose density gradient centrifugation and cross-flow filtration methods for the production of arbovirus antigens inactivated by binary ethylenimine

    PubMed Central

    Pyke, Alyssa T; Phillips, Debra A; Chuan, Teck F; Smith, Greg A

    2004-01-01

    Background Sucrose density gradient centrifugation and cross-flow filtration methods have been developed and standardised for the safe and reproducible production of inactivated arbovirus antigens which are appropriate for use in diagnostic serological applications. Methods To optimise the maximum titre of growth during the propagation of arboviruses, the multiplicity of infection and choice of cell line were investigated using stocks of Ross River virus and Barmah Forest virus grown in both mosquito and mammalian cell lines. To standardise and improve the efficacy of the inactivation of arboviral suspensions, stocks of Ross River virus, Barmah Forest virus, Japanese encephalitis virus, Murray Valley encephalitis virus and Alfuy virus were chemically inactivated using binary ethylenimine at a final concentration of 3 mM. Aliquots were then taken at hourly intervals and crude inactivation rates were determined for each virus using a plaque assay. To ensure complete inactivation, the same aliquots were each passaged 3 times in Aedes albopictus C6/36 cells and the presence of viral growth was detected using an immunofluorescent assay. For larger quantities of viral suspensions, centrifugation on an isopycnic sucrose density gradient or cross-flow filtration was used to produce concentrated, pure antigens or partially concentrated, semi-purified antigens respectively. Results The results of the propagation experiments suggested that the maximum viral titres obtained for both Ross River virus and Barmah Forest virus were affected by the incubation period and choice of cell line, rather than the use of different multiplicity of infection values. Results of the binary ethylenimine inactivation trial suggested that standardised periods of 5 or 8 hours would be suitable to ensure effective and complete inactivation for a number of different arboviral antigens. Conclusion Two methods used to prepare inactivated arbovirus antigens have been standardised to minimise production

  2. A novel prefractionation method combining protein and peptide isoelectric focusing in immobilized pH gradient strips.

    PubMed

    Pernemalm, Maria; Lehtiö, Janne

    2013-02-01

    To increase sensitivity and analytical depth in shotgun proteomics, prefractionation of complex samples is often used. Here we describe a novel prefractionation method, Sandwich high resolution isoelectric focusing, which combines both protein and peptide isoelectric focusing. In the first step, intact proteins are separated on the basis of isoelectric point (pI) using traditional immobilized pH gradient (IPG) strips. Segments in the IPG-strip containing proteins of interest are subsequently cut out and applied to in-strip digestion, without subsequent peptide elution. In the second peptide isoelectric focusing step, the strip segments are used as loading bridges. The peptides are thereby directly applied to the peptide isoelectric focusing, without an intermediate elution step, and separated on narrow range IPG strips to reduce the complexity on the peptide level. In the final step, the peptides are eluted into 96-well plates and analyzed with mass spectrometry. In a proof of principle experiment, using this method to zoom in on pI regions of interest in human plasma, we identify over 800 proteins, with concentrations spanning over 6 orders of magnitude.

  3. Coordinate-space solver for superfluid many-fermion systems with the shifted conjugate-orthogonal conjugate-gradient method

    NASA Astrophysics Data System (ADS)

    Jin, Shi; Bulgac, Aurel; Roche, Kenneth; Wlazłowski, Gabriel

    2017-04-01

    Self-consistent approaches to superfluid many-fermion systems in three dimensions (and their subsequent use in time-dependent studies) require a large number of diagonalizations of very large dimension Hermitian matrices, which results in enormous computational costs. We present an approach based on the shifted conjugate-orthogonal conjugate-gradient (COCG) Krylov method for the evaluation of the Green's function, from which we subsequently extract various densities (particle number, spin, current, kinetic energy, anomalous, etc.) of a nuclear system. The approach eschews the determination of the quasiparticle wave functions and their corresponding quasiparticle energies, which never explicitly appear in the construction of a single-particle Hamiltonian or needed for the calculation of various static nuclear properties, which depend only on densities. As benchmarks we present calculations for nuclei with axial symmetry, including the ground state of spherical (magic or semimagic) and axially deformed nuclei, the saddle point in the 240Pu constrained fission path, and a vortex in the neutron star crust, and demonstrate the superior efficiency of the shifted COCG Krylov method over traditional approaches.

  4. Sucrose density gradient centrifugation and cross-flow filtration methods for the production of arbovirus antigens inactivated by binary ethylenimine.

    PubMed

    Pyke, Alyssa T; Phillips, Debra A; Chuan, Teck F; Smith, Greg A

    2004-01-14

    Sucrose density gradient centrifugation and cross-flow filtration methods have been developed and standardised for the safe and reproducible production of inactivated arbovirus antigens which are appropriate for use in diagnostic serological applications. To optimise the maximum titre of growth during the propagation of arboviruses, the multiplicity of infection and choice of cell line were investigated using stocks of Ross River virus and Barmah Forest virus grown in both mosquito and mammalian cell lines. To standardise and improve the efficacy of the inactivation of arboviral suspensions, stocks of Ross River virus, Barmah Forest virus, Japanese encephalitis virus, Murray Valley encephalitis virus and Alfuy virus were chemically inactivated using binary ethylenimine at a final concentration of 3 mM. Aliquots were then taken at hourly intervals and crude inactivation rates were determined for each virus using a plaque assay. To ensure complete inactivation, the same aliquots were each passaged 3 times in Aedes albopictus C6/36 cells and the presence of viral growth was detected using an immunofluorescent assay. For larger quantities of viral suspensions, centrifugation on an isopycnic sucrose density gradient or cross-flow filtration was used to produce concentrated, pure antigens or partially concentrated, semi-purified antigens respectively. The results of the propagation experiments suggested that the maximum viral titres obtained for both Ross River virus and Barmah Forest virus were affected by the incubation period and choice of cell line, rather than the use of different multiplicity of infection values. Results of the binary ethylenimine inactivation trial suggested that standardised periods of 5 or 8 hours would be suitable to ensure effective and complete inactivation for a number of different arboviral antigens. Two methods used to prepare inactivated arbovirus antigens have been standardised to minimise production failure and expenditure and to

  5. A generalized gradient projection method based on a new working set for minimax optimization problems with inequality constraints.

    PubMed

    Ma, Guodong; Zhang, Yufeng; Liu, Meixing

    2017-01-01

    Combining the techniques of the working set identification and generalized gradient projection, we present a new generalized gradient projection algorithm for minimax optimization problems with inequality constraints. In this paper, we propose a new optimal identification function, from which we provide a new working set. At each iteration, the improved search direction is generated by only one generalized gradient projection explicit formula, which is simple and could reduce the computational cost. Under some mild assumptions, the algorithm possesses the global and strong convergence. Finally, the numerical results show that the proposed algorithm is promising.

  6. Method and apparatus for fabrication of high gradient insulators with parallel surface conductors spaced less than one millimeter apart

    SciTech Connect

    Sanders, David M.; Decker, Derek E.

    1999-01-01

    Optical patterns and lithographic techniques are used as part of a process to embed parallel and evenly spaced conductors in the non-planar surfaces of an insulator to produce high gradient insulators. The approach extends the size that high gradient insulating structures can be fabricated as well as improves the performance of those insulators by reducing the scale of the alternating parallel lines of insulator and conductor along the surface. This fabrication approach also substantially decreases the cost required to produce high gradient insulators.

  7. Method and apparatus for fabrication of high gradient insulators with parallel surface conductors spaced less than one millimeter apart

    SciTech Connect

    Sanders, D.M.; Decker, D.E.

    1999-09-21

    Optical patterns and lithographic techniques are used as part of a process to embed parallel and evenly spaced conductors in the non-planar surfaces of an insulator to produce high gradient insulators. The approach extends the size that high gradient insulating structures can be fabricated as well as improves the performance of those insulators by reducing the scale of the alternating parallel lines of insulator and conductor along the surface. This fabrication approach also substantially decreases the cost required to produce high gradient insulators.

  8. Increases in Water Potential Gradient Reduce Xylem Conductivity in Whole Plants. Evidence from a Low-Pressure Conductivity Method1

    PubMed Central

    Brodribb, Tim J.; Hill, Robert S.

    2000-01-01

    A new method using hydrostatic suctions (less than 0.02 MPa) was used to measure whole-root conductivity (Kr) in saplings of two angiosperm pioneer trees (Eucalyptus regnans and Toona australis) and two rainforest conifers (Dacrycarpus dacrydioides and Nageia fleurii). The resultant Kr was combined with measurements of stem and leaf hydraulic conductivity to calculate whole-plant conductivity and to predict leaf water potential (Ψl) during transpiration. At normal soil temperatures there was good agreement between measured and predicted Ψl during transpiration in all species. Changes in the soil-to-leaf water potential gradient were produced by root chilling, and in three of the four species, changes in Ψl corresponded to those expected by the effect of increased water viscosity on Kr. In one species, however, root chilling produced severe plant wilting and a decline in Ψl significantly below the predicted value. In this species Ψl decreased to a value close to, or below, the Ψl at 50% xylem cavitation. It is concluded that decreased whole-plant conductivity in T. australis resulted from a decrease in xylem conductivity due to stress-induced cavitation. PMID:10889251

  9. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation

    NASA Astrophysics Data System (ADS)

    Mohammadpour, Mozhdeh; Jamshidi, Zahra

    2016-05-01

    The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation.

  10. Computer-aided detection of lung nodules: false positive reduction using a 3D gradient field method

    NASA Astrophysics Data System (ADS)

    Ge, Zhanyu; Sahiner, Berkman; Chan, Heang-Ping; Hadjiiski, Lubomir M.; Wei, Jun; Bogot, Naama; Cascade, Philip N.; Kazerooni, Ella A.; Zhou, Chuan

    2004-05-01

    We are developing a computer-aided detection system to aid radiologists in diagnosing lung cancer in thoracic computed tomographic (CT) images. The purpose of this study was to improve the false-positive (FP) reduction stage of our algorithm by developing and incorporating a gradient field technique. This technique extracts 3D shape information from the gray-scale values within a volume of interest. The gradient field feature values are higher for spherical objects, and lower for elongated and irregularly-shaped objects. A data set of 55 thin CT scans from 40 patients was used to evaluate the usefulness of the gradient field technique. After initial nodule candidate detection and rule-based first stage FP reduction, there were 3487 FP and 65 true positive (TP) objects in our data set. Linear discriminant classifiers with and without the gradient field feature were designed for the second stage FP reduction. The accuracy of these classifiers was evaluated using the area Az under the receiver operating characteristic (ROC) curve. The Az values were 0.93 and 0.91 with and without the gradient field feature, respectively. The improvement with the gradient field feature was statistically significant (p=0.01).

  11. Susceptibility gradient mapping (SGM): a new postprocessing method for positive contrast generation applied to superparamagnetic iron oxide particle (SPIO)-labeled cells.

    PubMed

    Dahnke, Hannes; Liu, Wei; Herzka, Daniel; Frank, Joseph A; Schaeffter, Tobias

    2008-09-01

    Local susceptibility gradients result in a dephasing of the precessing magnetic moments and thus in a fast decay of the NMR signals. In particular, cells labeled with superparamagnetic iron oxide particles (SPIOs) induce hypointensities, making the in vivo detection of labeled cells from such a negative image contrast difficult. In this work, a new method is proposed to selectively turn this negative contrast into a positive contrast. The proposed method calculates the susceptibility gradient and visualizes it in a parametric map directly from a regular gradient-echo image dataset. The susceptibility gradient map is determined in a postprocessing step, requiring no dedicated pulse sequences or adaptation of the sequence before and during image acquisition. Phantom experiments demonstrated that local susceptibility differences can be quantified. In vivo experiments showed the feasibility of the method for tracking of SPIO-labeled cells. The method bears the potential also for usage in other applications, including the detection of contrast agents and interventional devices as well as metal implants.

  12. Gradient-based Electrical Properties Tomography (gEPT): a Robust Method for Mapping Electrical Properties of Biological Tissues In Vivo Using Magnetic Resonance Imaging

    PubMed Central

    Liu, Jiaen; Zhang, Xiaotong; Schmitter, Sebastian; Van de Moortele, Pierre-Francois; He, Bin

    2014-01-01

    Purpose To develop high-resolution electrical properties tomography (EPT) methods and investigate a gradient-based EPT (gEPT) approach which aims to reconstruct the electrical properties (EP), including conductivity and permittivity, of an imaged sample from experimentally measured B1 maps with improved boundary reconstruction and robustness against measurement noise. Theory and Methods Using a multi-channel transmit/receive stripline head coil, with acquired B1 maps for each coil element, by assuming negligible Bz component compared to transverse B1 components, a theory describing the relationship between B1 field, EP value and their spatial gradient has been proposed. The final EP images were obtained through spatial integration over the reconstructed EP gradient. Numerical simulation, physical phantom and in vivo human experiments at 7 T have been conducted to evaluate the performance of the proposed methods. Results Reconstruction results were compared with target EP values in both simulations and phantom experiments. Human experimental results were compared with EP values in literature. Satisfactory agreement was observed with improved boundary reconstruction. Importantly, the proposed gEPT method proved to be more robust against noise when compared to previously described non-gradient-based EPT approaches. Conclusion The proposed gEPT approach holds promises to improve EP mapping quality by recovering the boundary information and enhancing robustness against noise. PMID:25213371

  13. Fast Gradient Elution Reversed-Phase HPLC with Diode-Array Detection as a High Throughput Screening Method for Drugs of Abuse

    SciTech Connect

    Peter W. Carr; K.M. Fuller; D.R. Stoll; L.D. Steinkraus; M.S. Pasha; Glenn G. Hardin

    2005-12-30

    A new approach has been developed by modifying a conventional gradient elution liquid chromatograph for the high throughput screening of biological samples to detect the presence of regulated intoxicants. The goal of this work was to improve the speed of a gradient elution screening method over current approaches by optimizing the operational parameters of both the column and the instrument without compromising the reproducibility of the retention times, which are the basis for the identification. Most importantly, the novel instrument configuration substantially reduces the time needed to re-equilibrate the column between gradient runs, thereby reducing the total time for each analysis. The total analysis time for each gradient elution run is only 2.8 minutes, including 0.3 minutes for column reequilibration between analyses. Retention times standard calibration solutes are reproducible to better than 0.002 minutes in consecutive runs. A corrected retention index was adopted to account for day-to-day and column-to-column variations in retention time. The discriminating power and mean list length were calculated for a library of 47 intoxicants and compared with previous work from other laboratories to evaluate fast gradient elution HPLC as a screening tool.

  14. Gradient networks

    NASA Astrophysics Data System (ADS)

    Toroczkai, Zoltán; Kozma, Balázs; Bassler, Kevin E.; Hengartner, N. W.; Korniss, G.

    2008-04-01

    Gradient networks are defined (Toroczkai and Bassler 2004 Nature 428 716) as directed graphs formed by local gradients of a scalar field distributed on the nodes of a substrate network G. We present the derivation for some of the general properties of gradient graphs and give an exact expression for the in-degree distribution R(l) of the gradient network when the substrate is a binomial (Erd{\\;\\kern -0.10em \\raise -0.35ex \\{{^{^{\\prime\\prime}}}}\\kern -0.57em \\o} s-Rényi) random graph, G_{N,p} , and the scalars are independent identically distributed (i.i.d.) random variables. We show that in the limit N \\to \\infty, p \\to 0, z = pN = \\mbox{const} \\gg 1, R(l)\\propto l^{-1} for l < l_c = z , i.e., gradient networks become scale-free graphs up to a cut-off degree. This paper presents the detailed derivation of the results announced in Toroczkai and Bassler (2004 Nature 428 716).

  15. Surfactant gradient methods using mixed systems of cethyltrimethylammonium chloride and nonionic surfactants possessing polyoxyethylene chains for electrokinetic separation of benzoate anions as model analytes.

    PubMed

    Esaka, Yukihiro; Sawamura, Mika; Murakami, Hiroya; Uno, Bunji

    2006-12-01

    Surfactant gradient methods for electrokinetic separation of 10 benzoates as model organic anions were investigated using mixed micellar solutions of cetyltrimethylammonium chloride (CTAC) and nonionic surfactants possessing polyoxyethylene chains, polyoxyethylene sorbitan monolaurate (Tween 20) or polyoxyethylene lauryl ether (Brij 35). Electroosmotic flow (EOF) was eliminated virtually by a coating of the inner wall of the capillaries, and then the benzoates were detected fundamentally in the order of their hydrophobicity. In a pure CTAC system, the synergistic influences of attractive electrostatic and hydrophobic interactions gave rise to quite large retention factors of many of the benzoate anions, resulting in their coelution. Addition of an adequate amount of Tween 20 to the pure CTAC system decreased the electrostatic interaction significantly to give remarkably improved separation of the analytes, but long analysis time was required. A surfactant gradient method would be useful to decrease analysis time and to improve separation simultaneously. Under slight EOF, the micelles in the inlet reservoir can pass through and, thus, interact with all of the analytes before they were detected. In the present system, surfactant gradient separations could be performed simply by changing compositions of the surfactant solutions in the inlet reservoir during a single run. Additionally, we carried out continuous gradient separation using a simple device. Brij 35 gave an effect parallel to that by Tween 20 in migration behavior of the analytes. A practically negligible change in the level of the baseline was observed in a stepwise gradient elution with the CTAC/Brij 35 system because of the small absorbance at the detection wavelength, while that with the CTAC/Tween 20 was considerable. All the benzoates were separated completely within reasonable analysis times using both stepwise and continuous gradient programs for the concentrations of Tween 20 or Brij 35 in the

  16. Preparation and in vitro evaluation of ethosomal total alkaloids of Sophora alopecuroides loaded by a transmembrane pH-gradient method.

    PubMed

    Zhou, Yan; Wei, Yuhui; Liu, Huanxiang; Zhang, Guoqiang; Wu, Xin'an

    2010-09-01

    A novel transmembrane pH gradient active loading method to prepare alkaloids binary ethosomes was developed in this work. Using this novel method, binary ethosomes containing total alkaloids extracted from Sophora alopecuroides (TASA) were prepared successfully at the temperature below the phase transition temperature (Tc) of the phosphatidyl choline (PC). Several factors affecting this method were investigated. The qualities of the TASA binary ethosomes were characterized by the shape, particle size, and encapsulation efficiency (EE). The percutaneous absorption study of TASA binary ethosomes was performed using confocal laser scanning microscopy and Franz diffusion cells. The results showed that more than 90% sophoridine, 47% matrine, 35% sophocarpine, and 32% lemannine in TASA were entrapped within 1 h at 40°C, with an efficiency improvement of 8.87, 8.10, 7.63, and 7.78-fold than those observed in passive loading method. Transdermal experiments showed that the penetration depth and fluorescence intensity of Rhodamine B from binary ethosome prepared by pH gradient active loading method were much greater than that from binary ethosome prepared by passive loading method or hydroalcoholic solution. These results suggested transmembrane pH gradient active loading method may be an effective method to prepare alkaloids ethosomal systems at the temperatures below the Tc of PC.

  17. Use of passive diffusion sampling method for defining NO2 concentrations gradient in São Paulo, Brazil

    PubMed Central

    da Silva, Agnes Soares; Cardoso, Maria Regina; Meliefste, Kees; Brunekreef, Bert

    2006-01-01

    Background Air pollution in São Paulo is constantly being measured by the State of Sao Paulo Environmental Agency, however there is no information on the variation between places with different traffic densities. This study was intended to identify a gradient of exposure to traffic-related air pollution within different areas in São Paulo to provide information for future epidemiological studies. Methods We measured NO2 using Palmes' diffusion tubes in 36 sites on streets chosen to be representative of different road types and traffic densities in São Paulo in two one-week periods (July and August 2000). In each study period, two tubes were installed in each site, and two additional tubes were installed in 10 control sites. Results Average NO2 concentrations were related to traffic density, observed on the spot, to number of vehicles counted, and to traffic density strata defined by the city Traffic Engineering Company (CET). Average NO2concentrations were 63μg/m3 and 49μg/m3 in the first and second periods, respectively. Dividing the sites by the observed traffic density, we found: heavy traffic (n = 17): 64μg/m3 (95% CI: 59μg/m3 – 68μg/m3); local traffic (n = 16): 48μg/m3 (95% CI: 44μg/m3 – 52μg/m3) (p < 0.001). Conclusion The differences in NO2 levels between heavy and local traffic sites are large enough to suggest the use of a more refined classification of exposure in epidemiological studies in the city. Number of vehicles counted, traffic density observed on the spot and traffic density strata defined by the CET might be used as a proxy for traffic exposure in São Paulo when more accurate measurements are not available. PMID:16772044

  18. Internally mounted thin-liquid-film skin-friction meter - Comparison with floating element method with and without pressure gradient

    NASA Technical Reports Server (NTRS)

    Hornung, Hans; Seto, Jeffrey

    1991-01-01

    A new, robust oil film skin friction meter was designed and constructed. This enables skin friction measurements remotely and from within the model, as well as avoiding the need to know the location of the leading edge of the film. The instrument was tested by comparing measurements with those given by a floating element gage in a zero pressure gradient flat plate turbulent boundary layer. Both instruments agreed satisfactorily with the well-known curve for this case. Significant discrepancies between the two instruments were observed in the case of adverse and favorable pressure gradients. The discrepancies were of opposite sign for opposite-sign pressure gradients as is consistent with the error expected from floating-element gages. Additional confidence in the oil film technique is supplied by the good agreement of the behavior of the film profile with predictions from lubrication theory.

  19. Analytical gradients of the state-average complete active space self-consistent field method with density fitting

    SciTech Connect

    Delcey, Mickaël G.; Pedersen, Thomas Bondo; Aquilante, Francesco; Lindh, Roland

    2015-07-28

    An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.

  20. Method of propulsion of a ferromagnetic core in the cardiovascular system through magnetic gradients generated by an MRI system.

    PubMed

    Mathieu, Jean-Baptiste; Beaudoin, Gilles; Martel, Sylvain

    2006-02-01

    This paper reports the use of a magnetic resonance imaging (MRI) system to propel a ferromagnetic core. The concept was studied for future development of microdevices designed to perform minimally invasive interventions in remote sites accessible through the human cardiovascular system. A mathematical model is described taking into account various parameters such as the size of blood vessels, the velocities and viscous properties of blood, the magnetic properties of the materials, the characteristics of MRI gradient coils, as well as the ratio between the diameter of a spherical core and the diameter of the blood vessels. The concept of magnetic propulsion by MRI is validated experimentally by measuring the flow velocities that magnetized spheres (carbon steel 1010/1020) can withstand inside cylindrical tubes under the different magnetic forces created with a Siemens Magnetom Vision 1.5 T MRI system. The differences between the velocities predicted by the theoretical model and the experiments are approximately 10%. The results indicate that with the technology available today for gradient coils used in clinical MRI systems, it is possible to generate sufficient gradients to propel a ferromagnetic sphere in the larger sections of the arterial system. In other words, the results show that in the larger blood vessels where the diameter of the microdevices could be as large as a couple a millimeters, the few tens of mT/m of gradients required for displacement against the relatively high blood flow rate is well within the limits of clinical MRI systems. On the other hand, although propulsion of a ferromagnetic core with diameter of approximately 600 microm may be possible with existing clinical MRI systems, gradient amplitudes of several T/m would be required to propel a much smaller ferromagnetic core in small vessels such as capillaries and additional gradient coils would be required to upgrade existing MRI systems for operations at such a scale.

  1. Effects of temperature gradient in the growth of Si0.5Ge0.5 crystals by the traveling liquidus-zone method on board the International Space Station

    NASA Astrophysics Data System (ADS)

    Kinoshita, K.; Arai, Y.; Inatomi, Y.; Tsukada, T.; Miyata, H.; Tanaka, R.

    2016-12-01

    Si0.5Ge0.5 crystals were grown at two different temperature gradients on board the International Space Station (ISS) using the traveling liquidus-zone (TLZ) method and effects of temperature gradient on crystal quality were investigated. Although average axial Ge concentration profile was not affected by the temperature gradient, crystal quality was affected greatly. Single crystal length was shortened and constitutional supercooling (CS) is shown to occur more easily at higher temperature gradient. The calculated degree of CS based on the solute concentration profile in the melt and phase diagram data is about 4 times larger when the temperature gradient is twice, which supports the experimental results. Instability at high temperature gradient is unique to the TLZ method and is not common to other crystal growth methods such as the directional solidification method and Czochralski method.

  2. A cell-centred finite volume method for the Poisson problem on non-graded quadtrees with second order accurate gradients

    NASA Astrophysics Data System (ADS)

    Batty, Christopher

    2017-02-01

    This paper introduces a two-dimensional cell-centred finite volume discretization of the Poisson problem on adaptive Cartesian quadtree grids which exhibits second order accuracy in both the solution and its gradients, and requires no grading condition between adjacent cells. At T-junction configurations, which occur wherever resolution differs between neighboring cells, use of the standard centred difference gradient stencil requires that ghost values be constructed by interpolation. To properly recover second order accuracy in the resulting numerical gradients, prior work addressing block-structured grids and graded trees has shown that quadratic, rather than linear, interpolation is required; the gradients otherwise exhibit only first order convergence, which limits potential applications such as fluid flow. However, previous schemes fail or lose accuracy in the presence of the more complex T-junction geometries arising in the case of general non-graded quadtrees, which place no restrictions on the resolution of neighboring cells. We therefore propose novel quadratic interpolant constructions for this case that enable second order convergence by relying on stencils oriented diagonally and applied recursively as needed. The method handles complex tree topologies and large resolution jumps between neighboring cells, even along the domain boundary, and both Dirichlet and Neumann boundary conditions are supported. Numerical experiments confirm the overall second order accuracy of the method in the L∞ norm.

  3. Gradient refractive index of the crystalline lens of the Black Oreo Dory (Allocyttus Niger): comparison of magnetic resonance imaging (MRI) and laser ray-trace methods.

    PubMed

    Garner, L F; Smith, G; Yao, S; Augusteyn, R C

    2001-04-01

    The gradient refractive index of the crystalline lens in the Black Oreo Dory (Allocyttus Niger) was determined using two methods; an optimisation program based on finite ray-tracing and the path of laser beams through the lens, and magnetic resonance imaging (MRI) and the linear relationship between refractive index and nuclear transverse relaxation rates. The methods showed good agreement in the cortical zone of the lens, but the lack of free water in the core of the lens made MRI measurement impossible in this region. The laser-optimisation method gave mean values of 1.368 and 1.543 for the surface and core refractive indices respectively, with a radial distribution for the gradient refractive index given by n(r)=1.543-0.121r2-0.033r4-0.021r6.

  4. Motility, acrosome integrity, membrane integrity and oocyte cleavage rate of sperm separated by swim-up or Percoll gradient method from frozen-thawed buffalo semen.

    PubMed

    Mehmood, A; Anwar, M; Naqvi, S M Saqlan

    2009-04-01

    Frozen-thawed semen of five buffalo bulls was used to compare efficacy of swim-up and Percoll gradient methods for separating viable spermatozoa. Sperm separated by the two methods were also tested to differentiate buffalo bulls on the basis of in vitro fertilization (IVF) rates. Recovery of motile sperm (%), increase in membrane integrity (%) and acrosome integrity (%) were compared after two sperm separation methods in experiment I, and in vitro fertilization rate (cleavage rate and cleavage index) was compared in experiment II. Swim-up separated sperm showed a higher motility (P<0.05), while percent recovery of motile sperm was higher with Percoll separation (P<0.05). Membrane integrity (%) of sperm separated with swim-up was significantly higher (P<0.05) as compared to sperm separated with Percoll gradient. Swim-up separated sperm gave a higher cleavage rate and cleavage index (P<0.001). Sperm separated by swim-up showed significant difference among the bulls in cleavage rate and cleavage index (P<0.05), while the Percoll gradient method did not. It has been concluded that separation of sperm from frozen-thawed buffalo semen by swim-up method can be more expedient for IVF in buffalo.

  5. Gradient optimization and nonlinear control

    NASA Technical Reports Server (NTRS)

    Hasdorff, L.

    1976-01-01

    The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.

  6. A study of numerical methods of solution of the equations of motion of a controlled satellite under the influence of gravity gradient torque

    NASA Technical Reports Server (NTRS)

    Thompson, J. F.; Mcwhorter, J. C.; Siddiqi, S. A.; Shanks, S. P.

    1973-01-01

    Numerical methods of integration of the equations of motion of a controlled satellite under the influence of gravity-gradient torque are considered. The results of computer experimentation using a number of Runge-Kutta, multi-step, and extrapolation methods for the numerical integration of this differential system are presented, and particularly efficient methods are noted. A large bibliography of numerical methods for initial value problems for ordinary differential equations is presented, and a compilation of Runge-Kutta and multistep formulas is given. Less common numerical integration techniques from the literature are noted for further consideration.

  7. SU-C-BRA-02: Gradient Based Method of Target Delineation On PET/MR Image of Head and Neck Cancer Patients

    SciTech Connect

    Dance, M; Chera, B; Falchook, A; Das, S; Lian, J

    2015-06-15

    Purpose: Validate the consistency of a gradient-based segmentation tool to facilitate accurate delineation of PET/CT-based GTVs in head and neck cancers by comparing against hybrid PET/MR-derived GTV contours. Materials and Methods: A total of 18 head and neck target volumes (10 primary and 8 nodal) were retrospectively contoured using a gradient-based segmentation tool by two observers. Each observer independently contoured each target five times. Inter-observer variability was evaluated via absolute percent differences. Intra-observer variability was examined by percentage uncertainty. All target volumes were also contoured using the SUV percent threshold method. The thresholds were explored case by case so its derived volume matched with the gradient-based volume. Dice similarity coefficients (DSC) were calculated to determine overlap of PET/CT GTVs and PET/MR GTVs. Results: The Levene’s test showed there was no statistically significant difference of the variances between the observer’s gradient-derived contours. However, the absolute difference between the observer’s volumes was 10.83%, with a range from 0.39% up to 42.89%. PET-avid regions with qualitatively non-uniform shapes and intensity levels had a higher absolute percent difference near 25%, while regions with uniform shapes and intensity levels had an absolute percent difference of 2% between observers. The average percentage uncertainty between observers was 4.83% and 7%. As the volume of the gradient-derived contours increased, the SUV threshold percent needed to match the volume decreased. Dice coefficients showed good agreement of the PET/CT and PET/MR GTVs with an average DSC value across all volumes at 0.69. Conclusion: Gradient-based segmentation of PET volume showed good consistency in general but can vary considerably for non-uniform target shapes and intensity levels. PET/CT-derived GTV contours stemming from the gradient-based tool show good agreement with the anatomically and

  8. Localization of the cortical motor area by functional magnetic resonance imaging with gradient echo and echo-planar methods, using clinical 1.5 Tesla MR imaging systems.

    PubMed

    Nakayama, K

    1997-06-01

    Functional magnetic resonance imaging (MRI) with gradient echo and echo-planar sequences was applied to healthy volunteers and neurological patients to evaluate the feasibility of detecting and localizing the motor cortex. Time course of the change in signal intensity by an alternate repetition of motor task (squeezing hand) and rest periods was also examined. The motor cortex was localized as the area of signal increase in 88.9% of 45 healthy volunteers by gradient echo method, which mainly reflected the cortical vein, and 83.3% of 30 healthy volunteers by echo-planar method, which mainly reflected the cerebral gyrus. Among 21 volunteers who participated in the both studies, success rate in the localization for the motor cortex was 90.5% (21 volunteers) by gradient echo method and 81% (17 volunteers) by echo-planar method. It was also shown from the time course of the change in signal intensity that signal increase in the most significantly activated area generally corresponded with the periods of the motor task, and the latency between the onset of signal increase and the onset of motor task was usually about 4 seconds. In four of 6 patients with brain tumor, the motor cortex was localized, although activated areas were displaced or distorted. The results indicate that fMRI, either with gradient echo or echo-planar sequence, is a useful method for localizing the primary motor area activated during the motor task and clinically available for noninvasive evaluation of the anatomical relation between brain tumors and the motor area before surgical therapy.

  9. Gradient-index crystalline lens model: A new method for determining the paraxial properties by the axial and field rays

    NASA Astrophysics Data System (ADS)

    Rama, María. Angeles; Pérez, María. Victoria; Bao, Carmen; Flores-Arias, María. Teresa; Gómez-Reino, Carlos

    2005-05-01

    Gradient-index (GRIN) models of the human lens have received wide attention in optometry and vision sciences for considering the effect of inhomogeneity of the refractive index on the optical properties of the lens. This paper uses the continuous asymmetric bi-elliptical model to determine analytically cardinal elements, magnifications and refractive power of the lens by the axial and field rays in order to study the paraxial light propagation through the human lens from its GRIN nature.

  10. Applications of thermal-gradients method for the optimization of α-amylase crystallization conditions based on dynamic and static light scattering data

    NASA Astrophysics Data System (ADS)

    Delboni, L. F.; Iulek, J.; Burger, R.; da Silva, A. C. R.; Moreno, A.

    2002-02-01

    The expression, purification, crystallization, and characterization by X-ray diffraction of α-amylase are described here. Dynamic and static light scattering methods with a temperature controller was used to optimize the crystallization conditions of α-amylase from Bacillus stearothermophilus an important enzyme in many fields of industrial activity. After applying thermal gradients for growing crystals, X-ray cryo-crystallographic methods were employed for the data collection. Crystals grown by these thermal-gradients diffracted up to a maximum resolution of 3.8 Å, which allowed the determination of the unit cell constants as follows: a=61.7 Å, b=86.7 Å, c=92.2 Å and space group C222 (or C222 1).

  11. Assessment of a combined spin- and gradient-echo (SAGE) DSC-MRI method for preclinical neuroimaging.

    PubMed

    Stokes, Ashley M; Skinner, Jack T; Quarles, C Chad

    2014-12-01

    The goal of this study was to optimize and validate a combined spin- and gradient-echo (SAGE) sequence for dynamic susceptibility-contrast magnetic resonance imaging to obtain hemodynamic parameters in a preclinical setting. The SAGE EPI sequence was applied in phantoms and in vivo rat brain (normal, tumor, and stroke tissue). Partial and full Fourier encoding schemes were implemented and characterized. Maps of cerebral blood volume (CBV), cerebral blood flow (CBF), mean transit time (MTT), vessel size index (VSI), volume transfer constant (K(trans)), and volume fraction of the extravascular extracellular space (ve) were obtained. Partial Fourier encoding provided shortened echo times with acceptable signal-to-noise ratio and temporal stability, thus enabling reliable characterization of T2, T2(*) and T1 in both phantoms and rat brain. The hemodynamic parameters CBV, CBF, and MTT for gradient-echo and spin-echo contrast were determined in tumor and stroke; VSI, K(trans), and ve were also computed in tumor tissue. The SAGE EPI sequence allows the acquisition of multiple gradient- and spin-echoes, from which measures of perfusion, permeability, and vessel size can be obtained in a preclinical setting. Partial Fourier encoding can be used to minimize SAGE echo times and reliably quantify dynamic T2 and T2(*) changes. This acquisition provides a more comprehensive assessment of hemodynamic status in brain tissue with vascular and perfusion abnormalities.

  12. A single-scan T2* mapping method based on two gradient-echo images with compensation for macroscopic field inhomogeneity.

    PubMed

    Meng, Yuguang; Lei, Hao

    2008-12-01

    T2*-weighted imaging (T2*WI) and quantitative T2* mapping with conventional gradient-echo acquisition are often hindered by severe signal loss induced by macroscopic field inhomogeneity. Various z-shimming approaches have been developed for T2*WI/T2* mapping in which the effects of macroscopic field inhomogeneity are suppressed while the sensitivity of T2*-related signal intensity to alterations in the microscopic susceptibility is maintained. However, this is often done at the cost of significantly increased imaging time. In this work, a fast T2* mapping method with compensation for macroscopic field inhomogeneity was developed. A proton density-weighted image and a composite T2*-weighted image, both of which were essentially free from macroscopic field inhomogeneity-induced signal loss, were used for the T2* calculation. The composite T2*-weighted image was reconstructed from a number of gradient-echo images acquired with successively incremented z-shimming compensation. Because acquisition of the two images and z-shimming compensation were realized in a single scan, the total acquisition time for obtaining a T2* map with the proposed method is the same as the time taken for a conventional multiecho gradient-echo imaging sequence without compensation. The performance and efficiency of the proposed method were demonstrated and evaluated at 4.7 T. (c) 2008 Wiley-Liss, Inc.

  13. Gradient multilayer tribilogical coatings based on Mo-S-Ti-C formed by hybrid ion-plasma methods

    NASA Astrophysics Data System (ADS)

    Savostikov, V. M.; Potekaev, A. I.; Tabachenko, A. N.; Shulepov, I. A.; Kuzmichenko, V. M.; Didenko, A. A.

    2012-04-01

    Mechanical, physical and tribological properties of layer-gradient multi-component coatings based on the Mo-S-Ti-C composition are investigated. The coatings are formed by combining the magnetron sputtering and the hybrid magnetron and vacuum arc deposition assisted by a gas plasma generator. A correlation is established between the physic mechanical and tribological properties of the resulting coatings, which allows identifying their potential applications. The physical principles of the combined technologies of lowtemperature ion-plasma deposition of tribological Mo-S-Ti-C coatings onto hardened steel machine parts are developed.

  14. In vivo measurement of the size of oil bodies in plant seeds using a simple and robust pulsed field gradient NMR method.

    PubMed

    Gromova, Marina; Guillermo, Armel; Bayle, Pierre-Alain; Bardet, Michel

    2015-04-01

    An easy to implement and convenient method to measure the mean size of oil bodies (OBs) in plant seeds is proposed using a pulsed field gradient nuclear magnetic resonance (PFGNMR) approach. PFGNMR is a well-known technique used to study either free or restricted diffusion of molecules. As triacylglycerols (TAG) are confined in OBs, analysis of their diffusion properties is a well-suited experimental approach to determine OB sizes. In fact, at long diffusion time, TAG mean squared displacement is limited by the size of the domain where these molecules are confined. In order to access the OB size distribution, strong intensities of magnetic field gradients are generally required. In this work we demonstrate for the first time that a standard liquid-phase NMR probe equipped with a weak-intensity gradient coil can be used to determine the mean size of OBs. Average sizes were measured for several seeds, and OB diameters obtained by PFGNMR were fully consistent with previously published values obtained by microscopy techniques. Moreover, this approach provided evidence of TAG transfer through the network of interconnected OBs, which is dependent on the ability of adjacent membranes to open diffusion routes between OBs. The main advantage of the NMR method is that it does not require any sample preparation and experiments are performed with whole seeds directly introduced in a standard NMR tube.

  15. Application and experimental validation of an integral method for simulation of gradient-induced eddy currents on conducting surfaces during magnetic resonance imaging

    NASA Astrophysics Data System (ADS)

    Harris, C. T.; Haw, D. W.; Handler, W. B.; Chronik, B. A.

    2013-06-01

    The time-varying magnetic fields created by the gradient coils in magnetic resonance imaging can produce negative effects on image quality and the system itself. Additionally, they can be a limiting factor to the introduction of non-MR devices such as cardiac pacemakers, orthopedic implants, and surgical robotics. The ability to model the induced currents produced by the switching gradient fields is key to developing methods for reducing these unwanted interactions. In this work, a framework for the calculation of induced currents on conducting surface geometries is summarized. This procedure is then compared to two separate experiments: (1) the analysis of the decay of currents induced upon a conducting cylinder by an insert gradient set within a head only 7 T MR scanner; and (2) analysis of the heat deposited into a small conductor by a uniform switching magnetic field at multiple frequencies and two distinct conductor thicknesses. The method was shown to allow the accurate modeling of the induced time-varying field decay in the first case, and was able to provide accurate estimation of the rise in temperature in the second experiment to within 30% when the skin depth was greater than or equal to the thickness of the conductor.

  16. An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

    NASA Technical Reports Server (NTRS)

    Rendell, Alistair P.; Lee, Timothy J.

    1991-01-01

    The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

  17. An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

    NASA Technical Reports Server (NTRS)

    Rendell, Alistair P.; Lee, Timothy J.

    1991-01-01

    The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

  18. Designing Waveform Sets with Good Correlation and Stopband Properties for MIMO Radar via the Gradient-Based Method

    PubMed Central

    Tang, Liang; Zhu, Yongfeng; Fu, Qiang

    2017-01-01

    Waveform sets with good correlation and/or stopband properties have received extensive attention and been widely used in multiple-input multiple-output (MIMO) radar. In this paper, we aim at designing unimodular waveform sets with good correlation and stopband properties. To formulate the problem, we construct two criteria to measure the correlation and stopband properties and then establish an unconstrained problem in the frequency domain. After deducing the phase gradient and the step size, an efficient gradient-based algorithm with monotonicity is proposed to minimize the objective function directly. For the design problem without considering the correlation weights, we develop a simplified algorithm, which only requires a few fast Fourier transform (FFT) operations and is more efficient. Because both of the algorithms can be implemented via the FFT operations and the Hadamard product, they are computationally efficient and can be used to design waveform sets with a large waveform number and waveform length. Numerical experiments show that the proposed algorithms can provide better performance than the state-of-the-art algorithms in terms of the computational complexity. PMID:28468308

  19. Designing Waveform Sets with Good Correlation and Stopband Properties for MIMO Radar via the Gradient-Based Method.

    PubMed

    Tang, Liang; Zhu, Yongfeng; Fu, Qiang

    2017-05-01

    Waveform sets with good correlation and/or stopband properties have received extensive attention and been widely used in multiple-input multiple-output (MIMO) radar. In this paper, we aim at designing unimodular waveform sets with good correlation and stopband properties. To formulate the problem, we construct two criteria to measure the correlation and stopband properties and then establish an unconstrained problem in the frequency domain. After deducing the phase gradient and the step size, an efficient gradient-based algorithm with monotonicity is proposed to minimize the objective function directly. For the design problem without considering the correlation weights, we develop a simplified algorithm, which only requires a few fast Fourier transform (FFT) operations and is more efficient. Because both of the algorithms can be implemented via the FFT operations and the Hadamard product, they are computationally efficient and can be used to design waveform sets with a large waveform number and waveform length. Numerical experiments show that the proposed algorithms can provide better performance than the state-of-the-art algorithms in terms of the computational complexity.

  20. AFRODITE - passive flow control for skin-friction drag reduction using the method of spanwise mean velocity gradient

    NASA Astrophysics Data System (ADS)

    Fallenius, Bengt; Sattarzadeh, Sohrab; Downs, Robert; Shahinfar, Shahab; Fransson, Jens

    2015-11-01

    Over the last decade wind tunnel experiments and numerical simulations have shown that steady spanwise mean velocity gradients are able to attenuate the growth of different types of boundary layer disturbances. Within the AFRODITE research program different techniques to setup the spanwise mean velocity variations have been studied and their stabilizing effect leading to transition delay quantified. A successful boundary-layer modulator for transition delay has turned out to be the miniature-vortex generator and has been well documented during the past years. More recent ideas of setting up spanwise mean velocity gradients will be presented here. We show that, the non-linear interaction between a pair of oblique disturbance waves creating a streaky base flow, as well as the direct surface modulation by means of applying wavy surfaces in the spanwise direction, can both successfully be utilized for transition delay and hence skin-friction drag reduction. The European Research Council is gratefully acknowledged (ERC-StG-2010- 258339).

  1. Combined gradient projection/single component artificial force induced reaction (GP/SC-AFIR) method for an efficient search of minimum energy conical intersection (MECI) geometries

    NASA Astrophysics Data System (ADS)

    Harabuchi, Yu; Taketsugu, Tetsuya; Maeda, Satoshi

    2017-04-01

    We report a new approach to search for structures of minimum energy conical intersection (MECIs) automatically. Gradient projection (GP) method and single component artificial force induced reaction (SC-AFIR) method were combined in the present approach. As case studies, MECIs of benzene and naphthalene between their ground and first excited singlet electronic states (S0/S1-MECIs) were explored. All S0/S1-MECIs reported previously were obtained automatically. Furthermore, the number of force calculations was reduced compared to the one required in the previous search. Improved convergence in a step in which various geometrical displacements are induced by SC-AFIR would contribute to the cost reduction.

  2. Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

    NASA Technical Reports Server (NTRS)

    Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

    1998-01-01

    We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

  3. Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

    NASA Technical Reports Server (NTRS)

    Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

    1998-01-01

    We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

  4. Nanoparticle manipulation by thermal gradient

    PubMed Central

    2012-01-01

    A method was proposed to manipulate nanoparticles through a thermal gradient. The motion of a fullerene molecule enclosed inside a (10, 10) carbon nanotube with a thermal gradient was studied by molecular dynamics simulations. We created a one-dimensional potential valley by imposing a symmetrical thermal gradient inside the nanotube. When the temperature gradient was large enough, the fullerene sank into the valley and became trapped. The escaping velocities of the fullerene were evaluated based on the relationship between thermal gradient and thermophoretic force. We then introduced a new way to manipulate the position of nanoparticles by translating the position of thermostats with desirable thermal gradients. Compared to nanomanipulation using a scanning tunneling microscope or an atomic force microscope, our method for nanomanipulation has a great advantage by not requiring a direct contact between the probe and the object. PMID:22364240

  5. The growth of a cubic, single phase, Cd 0.6Mn 0.4Te single crystal by the vertical gradient freeze method

    NASA Astrophysics Data System (ADS)

    Azoulay, M.; Raizman, A.; Weingarten, R.; Shacham, H.; Feldstein, H.

    1993-03-01

    The growth of CdMnTe single crystals faces some difficulties due to the phase transition in the solid state at high temperatures, just after solidification. To overcome this problem, it has been suggested to grow the crystals from a Te-rich solution by the traveling heater method at a lower temperature than that of growth from the melt, or alternatively to grow the crystal from the melt at high axial thermal gradient near the interface. In this paper, we present for the first time the growth of cubic, single phase, CdxMn1-xTe single crystals by the vertical gradient freeze technique under a very low axial thermal gradient in the melt (3°C/cm) and high manganese content (x ≈ 40%). The solidification stage is characterized by a rapid cooling of the crystal through the phase transition temperature region, followed by annealing at about 800°C. The crystal exhibits a very high crystalline perfection, as measured by the double-crystal X-ray rocking curves with a full width at half maximum of 30 arc sec and low optical losses of about 1 dB/mm between 650 and 820 nm with λ-cutoff at 630 nm. Further magneto-optical properties are currently examined for a possible application in devices.

  6. An ensemble average method to estimate absolute TEC using radio beacon-based differential phase measurements: Applicability to regions of large latitudinal gradients in plasma density

    NASA Astrophysics Data System (ADS)

    Thampi, Smitha V.; Bagiya, Mala S.; Chakrabarty, D.; Acharya, Y. B.; Yamamoto, M.

    2014-12-01

    A GNU Radio Beacon Receiver (GRBR) system for total electron content (TEC) measurements using 150 and 400 MHz transmissions from Low-Earth Orbiting Satellites (LEOS) is fabricated in house and made operational at Ahmedabad (23.04°N, 72.54°E geographic, dip latitude 17°N) since May 2013. This system receives the 150 and 400 MHz transmissions from high-inclination LEOS. The first few days of observations are presented in this work to bring out the efficacy of an ensemble average method to convert the relative TECs to absolute TECs. This method is a modified version of the differential Doppler-based method proposed by de Mendonca (1962) and suitable even for ionospheric regions with large spatial gradients. Comparison of TECs derived from a collocated GPS receiver shows that the absolute TECs estimated by this method are reliable estimates over regions with large spatial gradient. This method is useful even when only one receiving station is available. The differences between these observations are discussed to bring out the importance of the spatial differences between the ionospheric pierce points of these satellites. A few examples of the latitudinal variation of TEC during different local times using GRBR measurements are also presented, which demonstrates the potential of radio beacon measurements in capturing the large-scale plasma transport processes in the low-latitude ionosphere.

  7. Validation of a pH gradient-based ion-exchange chromatography method for high-resolution monoclonal antibody charge variant separations.

    PubMed

    Rea, Jennifer C; Moreno, G Tony; Lou, Yun; Farnan, Dell

    2011-01-25

    Ion-exchange chromatography is widely used for profiling the charge heterogeneity of proteins, including monoclonal antibodies. Despite good resolving power and robustness, ionic strength-based ion-exchange separations are product-specific and time-consuming to develop. We have previously reported a novel pH-based separation of proteins by cation exchange chromatography that was multi-product, high-resolution, and robust against variations in sample matrix salt concentration and pH. In this study, a pH gradient-based separation method using cation exchange chromatography was evaluated in a mock validation. This method was shown to be robust for monoclonal antibodies and suitable for its intended purpose of charge heterogeneity analysis. Simple mixtures of defined buffer components were used to generate the pH gradients that separated closely related antibody species. Validation characteristics, such as precision and linearity, were evaluated. Robustness to changes in protein load, buffer pH and column oven temperature was demonstrated. The stability-indicating capability of this method was determined using thermally stressed antibody samples. In addition, intermediate precision was demonstrated using multiple instruments, multiple analysts, multiple column lots, and different column manufacturers. Finally, the precision for this method was compared to conventional ion-exchange chromatography and imaged capillary isoelectric focusing. These results demonstrate the superior precision and robustness of this multi-product method, which can be used for the high-throughput evaluation of in-process and final product samples.

  8. Method for utilizing three-dimensional radiated magnetic field gradients for detecting serving faults in buried cables

    SciTech Connect

    De Sa, A.J.A.

    1984-03-20

    A signal of a predetermined frequency is injected into the served (insulated) sheath of an underground cable and the resultant magnetic H field generated is monitored using two pick-up coils 62 and 63 aligned along the length of the cable. The phase difference between the emfs induced in the two coils is a measure of the H field gradient and a sharp change in phase accompanied by a change in emf. magnitude indicates a fault. The same two coils turned through 90/sup 0/ transversely to the cable can be used to locate the cable by scanning transversely to the cable. As the coils pass over the cable the relative phase of the induced emf signals in the coils reverses. Alternatively, three or four coils may be used arranged in two orthogonal pairs with the coils of one pair being aligned in use along the cable and the coils of the other pair transverse to the cable.

  9. A Multi-Frequency Eddy Current Inversion Method for Characterizing Conductivity Gradients on Water Jet Peened Components

    NASA Astrophysics Data System (ADS)

    Sundararaghavan, V.; Balasubramaniam, K.; Babu, N. R.

    2004-02-01

    This paper describes a multi-frequency eddy current inversion procedure for characterizing specimens that are water jet peened. Multi-frequency inductance data was obtained by using well-characterized eddy current probes. The inversion uses a multi-layer axi-symmetric finite element model as the forward model and the conductivity of each layer is found through interpolation of the inductance-conductivity data generated by the forward model. Skin depth approximation was used to isolate the integral effects of the conductivity variation on the inductance signal. Inverted conductivity profiles of the water jet peened specimens was found to resemble the predicted profiles. Information regarding the shape of residual stress gradients and relative intensities of peening were inferred from the conductivity profiles.

  10. Adaptive compensation of the effects of nonstationary thermal blooming based on the stochastic parallel gradient descent optimization method

    NASA Astrophysics Data System (ADS)

    Carhart, Gary W.; Simer, Greg J.; Vorontsov, Mikhail A.

    2003-12-01

    A 40-control-channel adaptive optics system capable of minimizing the impact of propagation medium induced thermal blooming effect in the target-in-the-loop optical setting is presented. The optical system uses two adaptive mirrors: a 37-channel deformable mirror manufactured by Xinetics Inc. and a 3-channel tip-tilt/defocus adaptive mirror constructed at the Army Research Laboratory. System operation is based on phase control of the outgoing wavefront based on the stochastic parallel gradient descent optimization technique. The optimized metric depends solely on characteristics of the returned speckle field scattered by an extended target surface registered at the transmitter plane. Results demonstrate that adaptive wavefront correction using a speckle-field-based beam quality metric can improve laser beam concentration on extended objects in the presence of propagation medium thermal blooming effects.

  11. Method and apparatus for producing a carbon based foam article having a desired thermal-conductivity gradient

    DOEpatents

    Klett, James W [Knoxville, TN; Cameron, Christopher Stan [Sanford, NC

    2010-03-02

    A carbon based foam article is made by heating the surface of a carbon foam block to a temperature above its graphitizing temperature, which is the temperature sufficient to graphitize the carbon foam. In one embodiment, the surface is heated with infrared pulses until heat is transferred from the surface into the core of the foam article such that the graphitizing temperature penetrates into the core to a desired depth below the surface. The graphitizing temperature is maintained for a time sufficient to substantially entirely graphitize the portion of the foam article from the surface to the desired depth below the surface. Thus, the foam article is an integral monolithic material that has a desired conductivity gradient with a relatively high thermal conductivity in the portion of the core that was graphitized and a relatively low thermal conductivity in the remaining portion of the foam article.

  12. In situ measurements of tritium evapotranspiration (³H-ET) flux over grass and soil using the gradient and eddy covariance experimental methods and the FAO-56 model.

    PubMed

    Connan, O; Maro, D; Hébert, D; Solier, L; Caldeira Ideas, P; Laguionie, P; St-Amant, N

    2015-10-01

    The behaviour of tritium in the environment is linked to the water cycle. We compare three methods of calculating the tritium evapotranspiration flux from grassland cover. The gradient and eddy covariance methods, together with a method based on the theoretical Penmann-Monteith model were tested in a study carried out in 2013 in an environment characterised by high levels of tritium activity. The results show that each of the three methods gave similar results. The various constraints applying to each method are discussed. The results show a tritium evapotranspiration flux of around 15 mBq m(-2) s(-1) in this environment. These results will be used to improve the entry parameters for the general models of tritium transfers in the environment.

  13. A Single Gradient Stability-Indicating Reversed-Phase LC Method for the Estimation of Impurities in Omeprazole and Domperidone Capsules.

    PubMed

    Seshadri, Raja Kumar; Raghavaraju, Thummala Veera; Chakravarthy, Ivon Elisha

    2013-01-01

    A gradient reversed-phase liquid chromatographic (RP-LC) method was developed for the quantitative estimation of impurities in the pharmaceutical dosage form of Omeprazole and Domperidone capsules. The developed method is a stability-indicating test method for the estimation of impurities generated during the formulation and storage of Omeprazole and Domperidone capsules. The chromatographic separation was achieved on a column packed with octadecyl silane, having a column length of 250 mm and diameter of 4.6 mm with a particle size of 5 μm, and by following a gradient program using a combination of a monobasic potassium phosphate buffer (0.05M) and acetonitrile. Since the spectral properties were similar, both compounds' individual impurities were estimated at 285 nm. Forced degradation studies were performed on Omeprazole pellets (enteric coated) and Domperidone pellets (SR coated) encapsulated in size '1' hard gelatin capsules. Omeprazole and Domperidone were degraded using acid hydrolysis (0.1 N hydrochloric acid), base (0.1 N sodium hydroxide), oxidation (50% hydrogen peroxide), heat (105 °C), and UV light (254 nm). The established method was validated and found to be linear, accurate, precise, specific, robust, and rugged.

  14. Gradient forests: calculating importance gradients on physical predictors.

    PubMed

    Ellis, Nick; Smith, Stephen J; Pitcher, C Roland

    2012-01-01

    In ecological analyses of species and community distributions there is interest in the nature of their responses to environmental gradients and in identifying the most important environmental variables, which may be used for predicting patterns of biodiversity. Methods such as random forests already exist to assess predictor importance for individual species and to indicate where along gradients abundance changes. However, there is a need to extend these methods to whole assemblages, to establish where along the range of these gradients the important compositional changes occur, and to identify any important thresholds or change points. We develop such a method, called "gradient forest," which is an extension of the random forest approach. By synthesizing the cross-validated R2 and accuracy importance measures from univariate random forest analyses across multiple species, sampling devices, and surveys, gradient forest obtains a monotonic function of each predictor that represents the compositional turnover along the gradient of the predictor. When applied to a synthetic data set, the method correctly identified the important predictors and delineated where the compositional change points occurred along these gradients. Application of gradient forest to a real data set from part of the Great Barrier Reef identified mud fraction of the sediment as the most important predictor, with highest compositional turnover occurring at mud fraction values around 25%, and provided similar information for other predictors. Such refined information allows for more accurate capturing of biodiversity patterns for the purposes of bioregionalization, delineation of protected areas, or designing of biodiversity surveys.

  15. Geometry optimization of radicaloid systems using improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method.

    PubMed

    Chattopadhyay, Sudip; Chaudhuri, Rajat K; Freed, Karl F

    2011-04-28

    The improved virtual orbital (IVO) complete active space (CAS) configuration interaction (IVO-CASCI) method is a simplified CAS self-consistent field (SCF), CASSCF, method. Unlike the CASSCF approach, the IVO-CASCI method does not require iterations beyond an initial SCF calculation, rendering the IVO-CASCI scheme computationally more tractable than the CASSCF method and devoid of the convergence problems that sometimes plague CASSCF calculations as the CAS size increases, while retaining all the essential positive benefits of the CASSCF method. Earlier applications demonstrate that the IVO-CASCI energies are at least as accurate as those from the CASSCF and provide the impetus for our recent development of the analytical derivative procedures that are necessary for a wide applicability of the IVO-CASCI approach. Here we test the ability of the analytic energy gradient IVO-CASCI approach (which can treat both closed- and open-shell molecules of arbitrary spin multiplicity) to compute the equilibrium geometries of four organic radicaloid species, namely, (i) the diradicals trimethylenemethane (TMM), 2,6-pyridyne, and the 2,6-pyridynium cation and (ii) a triradical 1,2,3-tridehydrobenzene (TDB), using various basis sets and different choices for the active space. Although these systems and related molecules have fascinated theoretical chemists for many years, their strong multireference character makes their description quite difficult with most standard many-body approaches. Thus, they provide ideal tests to assess the performance of the IVO-CASCI method. The present work demonstrates consistent agreement with far more expensive benchmark state-of-the-art ab initio calculations and thereby indicates that this new gradient method is able to describe the geometries of various radicaloids very accurately, even when small, but qualitatively correct, reference spaces are used. For example, the IVO-CASCI method leads to a monocyclic structure for the 2,6-isomers of the

  16. On the Theory and Computation of Surface Tension: The Elimination of Parasitic Currents through Energy Conservation in the Second-Gradient Method

    NASA Astrophysics Data System (ADS)

    Jamet, Didier; Torres, David; Brackbill, J. U.

    2002-10-01

    Errors in the computation of fluid flows with surface tension are examined. These errors cause large parasitic flows when the capillary number is large and have often been attributed to truncation error in underresolved interfacial regions. A study using the second-gradient method reveals that when truncation error is eliminated in the computation of energy exchanges between surface and kinetic energies so that energy is strictly conserved, the parasitic currents are reduced to round-off. The results are based on general thermodynamic arguments and can be used to guide improvements in other methods, such as the continuum-surface-force (CSF) method, which is commonly used with the volume-of-fluid (VOF) method.

  17. The Measurement of Temperature Gradients in a Soft Tissue Phantom using PVDF arrays: A Simulation Case Using the Finite Element Method (FEM)

    NASA Astrophysics Data System (ADS)

    Acevedo, Pedro; Vázquez, Mónica; Durán, Joel; Petrearce, Rodolfo

    A simulation case is presented using the Finite Element Method (FEM) to simulate the performance of PVDF arrays to measure temperature gradients through the determination of phase shifts, i.e. time shifts of the waveform of the echo due to a change in the speed of propagation of ultrasound as a result of a change in temperature, they can be interpreted as phase shifts in the frequency domain. Making it possible to determine the change in temperature from the phase shifts; in a medium of propagation previously characterized.

  18. Development of a gradient HPLC method for the simultaneous determination of sotalol and sorbate in oral liquid preparations using solid core stationary phase.

    PubMed

    Matysova, Ludmila; Zahalkova, Oxana; Klovrzova, Sylva; Sklubalova, Zdenka; Solich, Petr; Zahalka, Lukas

    2015-01-01

    A selective and sensitive gradient HPLC-UV method for quantification of sotalol hydrochloride and potassium sorbate in five types of oral liquid preparations was developed and fully validated. The separation of an active substance sotalol hydrochloride, potassium sorbate (antimicrobial agent), and other substances (for taste and smell correction, etc.) was performed using an Ascentis Express C18 (100 × 4.6 mm, particles 2.7 μm) solid core HPLC column. Linear gradient elution mode with a flow rate of 1.3 mL min(-1) was used, and the injection volume was 5 µL. The UV/Vis absorbance detector was set to a wavelength of 237 nm, and the column oven was conditioned at 25°C. A sodium dihydrogen phosphate dihydrate solution (pH 2.5; 17.7 mM) was used as the mobile phase buffer. The total analysis time was 4.5 min (+2.5 min for reequilibration). The method was successfully employed in a stability evaluation of the developed formulations, which are now already being used in the therapy of arrhythmias in pediatric patients; the method is also suitable for general quality control, that is, not only just for extemporaneous preparations containing the mentioned substances.

  19. Application of quality by design concept to develop a dual gradient elution stability-indicating method for cloxacillin forced degradation studies using combined mixture-process variable models.

    PubMed

    Zhang, Xia; Hu, Changqin

    2017-09-08

    Penicillins are typical of complex ionic samples which likely contain large number of degradation-related impurities (DRIs) with different polarities and charge properties. It is often a challenge to develop selective and robust high performance liquid chromatography (HPLC) methods for the efficient separation of all DRIs. In this study, an analytical quality by design (AQbD) approach was proposed for stability-indicating method development of cloxacillin. The structures, retention and UV characteristics rules of penicillins and their impurities were summarized and served as useful prior knowledge. Through quality risk assessment and screen design, 3 critical process parameters (CPPs) were defined, including 2 mixture variables (MVs) and 1 process variable (PV). A combined mixture-process variable (MPV) design was conducted to evaluate the 3 CPPs simultaneously and a response surface methodology (RSM) was used to achieve the optimal experiment parameters. A dual gradient elution was performed to change buffer pH, mobile-phase type and strength simultaneously. The design spaces (DSs) was evaluated using Monte Carlo simulation to give their possibility of meeting the specifications of CQAs. A Plackett-Burman design was performed to test the robustness around the working points and to decide the normal operating ranges (NORs). Finally, validation was performed following International Conference on Harmonisation (ICH) guidelines. To our knowledge, this is the first study of using MPV design and dual gradient elution to develop HPLC methods and improve separations for complex ionic samples. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Two-dimensional thin-layer chromatography with adsorbent gradient as a method of chromatographic fingerprinting of furanocoumarins for distinguishing selected varieties and forms of Heracleum spp.

    PubMed

    Cieśla, Lukasz; Bogucka-Kocka, Anna; Hajnos, Michał; Petruczynik, Anna; Waksmundzka-Hajnos, Monika

    2008-10-17

    There are a lot of taxonomic classifications of the genus Heracleum, and many authors indicate they need revision. Morphological identification is difficult to perform, as there are only few characteristic differences between each Heracleum species, varieties and forms. Furanocoumarins are characteristic compounds for the Apiaceae family, and they can be found in the whole genus in large quantities. Despite this fact, it is difficult to use the furanocoumarin profiles of plants, for their discrimination, as furanocoumarins are difficult to separate, due to their similar chemical structures and physicochemical properties. In this paper, a new, simple method is proposed for the discrimination of selected species, varieties and forms of the genus Heracleum. Thin-layer chromatography (TLC) with an adsorbent gradient (unmodified silica gel+octadecylsilica wettable with water) enables complete separation of the structural analogues. The proposed method gives the possibility to distinguish selected species, varieties and forms of the Heracleum genus, as they produce distinctive furanocoumarin fingerprints. The method is characterised by high specificity, precision, reproducibility and stability values. It is for the first time that graft TLC is used for constructing fingerprints of herbs. The complete separation of ten structural analogues, by combining gradient TLC with the unidimensional multiple development technique, has not been reported yet.

  1. Response of single benthic metrics and multi-metric methods to anthropogenic pressure gradients, in five distinct European coastal and transitional ecosystems.

    PubMed

    Borja, Angel; Barbone, Enrico; Basset, Alberto; Borgersen, Gunhild; Brkljacic, Marijana; Elliott, Michael; Garmendia, Joxe Mikel; Marques, João Carlos; Mazik, Krysia; Muxika, Iñigo; Magalhães Neto, João; Norling, Karl; Rodríguez, J Germán; Rosati, Ilaria; Rygg, Brage; Teixeira, Heliana; Trayanova, Antoaneta

    2011-03-01

    In recent times many benthic indices have been proposed to assess the ecological quality of marine waters worldwide. In this study we compared single metrics and multi-metric methods to assess coastal and transitional benthic status along human pressure gradients in five distinct environments across Europe: Varna bay and lake (Bulgaria), Lesina lagoon (Italy), Mondego estuary (Portugal), Basque coast (Spain) and Oslofjord (Norway). Hence, 13 single metrics (abundance, number of taxa, and several diversity and sensitivity indices) and eight of the most common indices used within the European Water Framework Directive (WFD) for benthic assessment were selected: index of size spectra (ISS), Benthic assessment tool (BAT), Norwegian quality index (NQI), Multivariate AMBI (M-AMBI), Benthic quality index (BQI), (Benthic ecosystem quality index (BEQI), Benthic index based on taxonomic sufficiency (BITS), and infaunal quality index (IQI). Within each system, sampling sites were ordered in an increasing pressure gradient according to a preliminary classification based on professional judgement. The different indices are largely consistent in their response to pressure gradient, except in some particular cases (i.e. BITS, in all cases, or ISS when a low number of individuals is present). Inconsistencies between indicator responses were most pronounced in transitional waters (i.e. IQI, BEQI), highlighting the difficulties of the generic application of indicators to all marine, estuarine and lagoonal environments. However, some of the single (i.e. ecological groups approach, diversity, richness) and multi-metric methods (i.e. BAT, M-AMBI, NQI) were able to detect such gradients both in transitional and coastal environments, being these multi-metric methods more consistent in the detection than single indices. This study highlights the importance of survey design and good reference conditions for some indicators. The agreement observed between different methodologies and their

  2. Parameter-exploring policy gradients.

    PubMed

    Sehnke, Frank; Osendorfer, Christian; Rückstiess, Thomas; Graves, Alex; Peters, Jan; Schmidhuber, Jürgen

    2010-05-01

    We present a model-free reinforcement learning method for partially observable Markov decision problems. Our method estimates a likelihood gradient by sampling directly in parameter space, which leads to lower variance gradient estimates than obtained by regular policy gradient methods. We show that for several complex control tasks, including robust standing with a humanoid robot, this method outperforms well-known algorithms from the fields of standard policy gradients, finite difference methods and population based heuristics. We also show that the improvement is largest when the parameter samples are drawn symmetrically. Lastly we analyse the importance of the individual components of our method by incrementally incorporating them into the other algorithms, and measuring the gain in performance after each step.

  3. Generalized three-dimensional lattice Boltzmann color-gradient method for immiscible two-phase pore-scale imbibition and drainage in porous media

    NASA Astrophysics Data System (ADS)

    Leclaire, Sébastien; Parmigiani, Andrea; Malaspinas, Orestis; Chopard, Bastien; Latt, Jonas

    2017-03-01

    This article presents a three-dimensional numerical framework for the simulation of fluid-fluid immiscible compounds in complex geometries, based on the multiple-relaxation-time lattice Boltzmann method to model the fluid dynamics and the color-gradient approach to model multicomponent flow interaction. New lattice weights for the lattices D3Q15, D3Q19, and D3Q27 that improve the Galilean invariance of the color-gradient model as well as for modeling the interfacial tension are derived and provided in the Appendix. The presented method proposes in particular an approach to model the interaction between the fluid compound and the solid, and to maintain a precise contact angle between the two-component interface and the wall. Contrarily to previous approaches proposed in the literature, this method yields accurate solutions even in complex geometries and does not suffer from numerical artifacts like nonphysical mass transfer along the solid wall, which is crucial for modeling imbibition-type problems. The article also proposes an approach to model inflow and outflow boundaries with the color-gradient method by generalizing the regularized boundary conditions. The numerical framework is first validated for three-dimensional (3D) stationary state (Jurin's law) and time-dependent (Washburn's law and capillary waves) problems. Then, the usefulness of the method for practical problems of pore-scale flow imbibition and drainage in porous media is demonstrated. Through the simulation of nonwetting displacement in two-dimensional random porous media networks, we show that the model properly reproduces three main invasion regimes (stable displacement, capillary fingering, and viscous fingering) as well as the saturating zone transition between these regimes. Finally, the ability to simulate immiscible two-component flow imbibition and drainage is validated, with excellent results, by numerical simulations in a Berea sandstone, a frequently used benchmark case used in this

  4. Method for decreasing radial temperature gradients of crystal growth melts utilizing radiant energy absorptive materials and crystal growth chambers comprising such materials

    SciTech Connect

    Belt, R.F.

    1984-10-23

    A method for reducing the radial temperature gradient of a radiant energy emitting heated body is described. The method comprises insulating such heated body with a refractory insulating material containing an efficient absorber of the radiant energy emitted by said heated body. Specifically, materials containing trivalent dysprosium are disclosed as suitable thermal insulation for use where the heated body is at a temperature in the 1800/sup 0/ C.-2500/sup 0/ C. range. Also described is a crystal growth chamber for pulling unicrystalline compositions from a melt utilizing the Czochralski technique. The chamber is characterized by the placement of a refractory insulating material containing an efficient absorber of near infrared radiation around a crucible which contains the melt. Dysprosium is specifically disclosed as an efficient absorber of the near infrared radiation which is emitted by melt and crucible at the elevated temperatures employed for boule formation utilizing the Czochralski technique.

  5. The analytic gradient for the coupled pair functional method - Formula and application for HCl, H2CO, and the dimer H2CO-HCl

    NASA Astrophysics Data System (ADS)

    Rice, Julia E.; Lee, Timothy J.; Handy, Nicholas C.

    1988-06-01

    A general analytic gradient is formulated for the coupled pair functional (CPF) electron correlation procedure. An application of the new procedure to the structure of the H2CO-HCl complex is presented, and the predictions are compared with those of second-order perturbation theory (MP2), singles and doubles configuration interaction, and available experimental results. The CPF method in conjunction with a large basis set is found to obtain highly accurate structures and molecular properties for the H2CO and HCl molecules. The CPF triple zeta plus double polarization method is found to give the most reliable prediction of the equilibrium structure of the dimer. The hydrogen bond is predicted to have a length of 1.952 A and to be nonlinear, with the angle O-HCl = 163.2 deg. The angular orientation of the two monomers in the complex, described by C = O-H, is determined to be 109.0 deg at equilibrium.

  6. Fast gradient HPLC method to determine compounds binding to human serum albumin. Relationships with octanol/water and immobilized artificial membrane lipophilicity.

    PubMed

    Valko, Klara; Nunhuck, Shenaz; Bevan, Chris; Abraham, Michael H; Reynolds, Derek P

    2003-11-01

    A fast gradient HPLC method (cycle time 15 min) has been developed to determine Human Serum Albumin (HSA) binding of discovery compounds using chemically bonded protein stationary phases. The HSA binding values were derived from the gradient retention times that were converted to the logarithm of the equilibrium constants (logK HSA) using data from a calibration set of molecules. The method has been validated using literature plasma protein binding data of 68 known drug molecules. The method is fully automated, and has been used for lead optimization in more than 20 company projects. The HSA binding data obtained for more than 4000 compounds were suitable to set up global and project specific quantitative structure binding relationships that helped compound design in early drug discovery. The obtained HSA binding of known drug molecules were compared to the Immobilized Artificial Membrane binding data (CHI IAM) obtained by our previously described HPLC-based method. The solvation equation approach has been used to characterize the normal binding ability of HSA, and this relationship shows that compound lipophilicity is a significant factor. It was found that the selectivity of the "baseline" lipophilicity governing HSA binding, membrane interaction, and octanol/water partition are very similar. However, the effect of the presence of positive or negative charges have very different effects. It was found that negatively charged compounds bind more strongly to HSA than it would be expected from the lipophilicity of the ionized species at pH 7.4. Several compounds showed stronger HSA binding than can be expected from their lipophilicity alone, and comparison between predicted and experimental binding affinity allows the identification of compounds that have good complementarities with any of the known binding sites.

  7. A Simple Method for Determining Heat Transfer, Skin Friction, and Boundary-Layer Thickness for Hypersonic Laminar Boundary-Layer Flows in a Pressure Gradient

    NASA Technical Reports Server (NTRS)

    Bertram, Mitchel H.; Feller, William V.

    1959-01-01

    A procedure based on the method of similar solutions is presented by which the skin friction, heat transfer, and boundary-layer thickness in a laminar hypersonic flow with pressure gradient may be rapidly evaluated if the pressure distribution is known. This solution, which at present is. restricted to power-law variations of pressure with surface distance, is presented for a wide range of exponents in the power law corresponding to both favorable and adverse pressure gradients. This theory has been compared to results from heat-transfer experiments on blunt-nose flat plates and a hemisphere cylinder at free-stream Mach numbers of 4 and 6.8. The flat-plate experiments included tests made at a Mach number of 6.8 over a range of angle of attack of +/- 10 deg. Reasonable agreement of the experimental and theoretical heat-transfer coefficients has been obtained as well as good correlation of the experimental results over the entire range of angle of attack studied. A similar comparison of theory with experiment was not feasible for boundary-layer-thickness data; however, the hypersonic similarity theory was found to account satisfactorily for the variation in boundary-layer thickness due to local pressure distribution for several sets of measurements.

  8. Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method

    NASA Astrophysics Data System (ADS)

    Nagata, Takeshi; Fedorov, Dmitri G.; Li, Hui; Kitaura, Kazuo

    2012-05-01

    A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed.

  9. On gradient field theories: gradient magnetostatics and gradient elasticity

    NASA Astrophysics Data System (ADS)

    Lazar, Markus

    2014-09-01

    In this work, the fundamentals of gradient field theories are presented and reviewed. In particular, the theories of gradient magnetostatics and gradient elasticity are investigated and compared. For gradient magnetostatics, non-singular expressions for the magnetic vector gauge potential, the Biot-Savart law, the Lorentz force and the mutual interaction energy of two electric current loops are derived and discussed. For gradient elasticity, non-singular forms of all dislocation key formulas (Burgers equation, Mura equation, Peach-Koehler stress equation, Peach-Koehler force equation, and mutual interaction energy of two dislocation loops) are presented. In addition, similarities between an electric current loop and a dislocation loop are pointed out. The obtained fields for both gradient theories are non-singular due to a straightforward and self-consistent regularization.

  10. Method and system for producing sputtered thin films with sub-angstrom thickness uniformity or custom thickness gradients

    DOEpatents

    Folta, James A.; Montcalm, Claude; Walton, Christopher

    2003-01-01

    A method and system for producing a thin film with highly uniform (or highly accurate custom graded) thickness on a flat or graded substrate (such as concave or convex optics), by sweeping the substrate across a vapor deposition source with controlled (and generally, time-varying) velocity. In preferred embodiments, the method includes the steps of measuring the source flux distribution (using a test piece that is held stationary while exposed to the source), calculating a set of predicted film thickness profiles, each film thickness profile assuming the measured flux distribution and a different one of a set of sweep velocity modulation recipes, and determining from the predicted film thickness profiles a sweep velocity modulation recipe which is adequate to achieve a predetermined thickness profile. Aspects of the invention include a practical method of accurately measuring source flux distribution, and a computer-implemented method employing a graphical user interface to facilitate convenient selection of an optimal or nearly optimal sweep velocity modulation recipe to achieve a desired thickness profile on a substrate. Preferably, the computer implements an algorithm in which many sweep velocity function parameters (for example, the speed at which each substrate spins about its center as it sweeps across the source) can be varied or set to zero.

  11. Method for compression molding of thermosetting plastics utilizing a temperature gradient across the plastic to cure the article

    NASA Technical Reports Server (NTRS)

    Heier, W. C. (Inventor)

    1974-01-01

    A method is described for compression molding of thermosetting plastics composition. Heat is applied to the compressed load in a mold cavity and adjusted to hold molding temperature at the interface of the cavity surface and the compressed compound to produce a thermal front. This thermal front advances into the evacuated compound at mean right angles to the compression load and toward a thermal fence formed at the opposite surface of the compressed compound.

  12. A comparative study on pure, L-arginine and glycine doped ammonium dihydrogen orthophosphate single crystals grown by slow solvent evaporation and temperature-gradient method

    NASA Astrophysics Data System (ADS)

    Pattanaboonmee, N.; Ramasamy, P.; Yimnirun, R.; Manyum, P.

    2011-01-01

    Single crystals of pure, L-arginine and glycine doped ammonium dihydrogen orthophosphate (ADP) were grown by both the slow solvent evaporation method and the temperature-gradient method of Sankaranarayanan-Ramasamy (SR). The metastable zone width for different saturation temperatures of pure glycine and L-arginine added solutions were carried out. The grown crystals were characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), powder X-ray diffraction (XRD), optical transmission, dielectric constant, dielectric loss, and Vickers microhardness. The DSC and TG curves of the grown crystals indicated that they were stable up to 200 °C. The XRD study confirmed the structure of the grown crystal. The optical transmission analysis revealed that the pure and doped ADP crystals had very high percentage of transmission in the entire visible region. The important optical parameters such as reflectance and extinction coefficients of the grown crystals were calculated. L-arginine and glycine were used as dopants to reduce dielectric constant of ADP. The a.c. resistivity and a.c. conductivity were calculated. Dielectric loss of the doped ADP crystals grown by the SR method is lower than the doped ADP crystals grown by the conventional method. Larger hardness value for the SR method grown crystals confirmed greater crystalline perfection.

  13. Ab initio study of the lattice thermal conductivity of Cu2O using the generalized gradient approximation and hybrid density functional methods

    NASA Astrophysics Data System (ADS)

    Linnera, J.; Karttunen, A. J.

    2017-07-01

    The lattice thermal conductivity of Cu2O was studied using ab initio density functional methods. The performance of generalized gradient approximation (GGA), GGA-PBE, and PBE0 exchange-correlation functionals was compared for various electronic and phonon-related properties. The 3 d transition metal oxides such as Cu2O are known to be a challenging case for pure GGA functionals, and in comparison to the GGA-PBE the PBE0 hybrid functional clearly improves the description of both electronic and phonon-related properties. The most striking difference is found in the lattice thermal conductivity, where the GGA underestimates it as much as 40% in comparison to experiments, while the difference between the experiment and the PBE0 hybrid functional is only a few percent.

  14. Gradient zone boundary control in salt gradient solar ponds

    DOEpatents

    Hull, John R.

    1984-01-01

    A method and apparatus for suppressing zone boundary migration in a salt gradient solar pond includes extending perforated membranes across the pond at the boundaries, between the convective and non-convective zones, the perforations being small enough in size to prevent individual turbulence disturbances from penetrating the hole, but being large enough to allow easy molecular diffusion of salt thereby preventing the formation of convective zones in the gradient layer. The total area of the perforations is a sizable fraction of the membrane area to allow sufficient salt diffusion while preventing turbulent entrainment into the gradient zone.

  15. A novel method for the determination of dissolved methylmercury concentrations using diffusive gradients in thin films technique.

    PubMed

    Gao, Yue; De Craemer, Sam; Baeyens, Willy

    2014-03-01

    A novel DGT probe and analysis protocol were developed for the determination of MeHg concentrations in aquatic system. The DGT probe consisted of an agarose (AG) gel as the diffusive hydrogel and a 3-mercaptoproply functionalised silica resin gel as the resin gel. The polyacrylamide (PA) hydrogel which is commonly used in DGT probes to assess trace metal concentrations in aquatic system appeared to be unsuitable for the determination of MeHg. The affinity of the PA hydrogel for MeHg is very high reducing its accumulation by the resin. In contrast, the AG hydrogel presents a by far lower affinity towards MeHg, which makes it suitable as diffusive layer in a DGT probe for MeHg determinations. Two extraction procedures to liberate MeHg from the resin were studied: one is involving thiourea as complexing agent, the other a simple acidic extraction. The extraction step was followed by an ethylation reaction of the liberated MeHg to determine low concentrations of MeHg species by Headspace-Gas Chromatography-Atomic Fluorescence (HS-GC-AFS). With the thiourea extraction method the recovery of the adsorbed MeHg compounds was extremely low while the recovery with the acid extraction method was 100%. The reliability of the novel DGT probe and analysis protocol was studied. A linear dependency between the amount of MeHg accumulated on the resin gel and both the deployment time and the gel thickness were demonstrated. From those experiments a diffusion coefficient of MeHg in AG gel was determined: 5.1±0.20×10(-6) cm(2) s(-1). Additional experiments showed that the new DGT method can be used in most natural waters independent of the ionic strength and within a pH range of 3-8. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. A protocol for exosome isolation and characterization: evaluation of ultracentrifugation, density-gradient separation, and immunoaffinity capture methods.

    PubMed

    Greening, David W; Xu, Rong; Ji, Hong; Tauro, Bow J; Simpson, Richard J

    2015-01-01

    Exosomes are 40-150 nm extracellular vesicles that are released from a multitude of cell types, and perform diverse cellular functions including intercellular communication, antigen presentation, and transfer of tumorigenic proteins, mRNA and miRNA. Exosomes are important regulators of the cellular niche, and their altered characteristics in many diseases, such as cancer, suggest their importance for diagnostic and therapeutic applications, and as drug delivery vehicles. Exosomes have been purified from biological fluids and in vitro cell cultures using a variety of strategies and techniques. In this chapter, we reveal the protocol and key insights into the isolation, purification and characterization of exosomes, distinct from shed microvesicles and apoptotic blebs. Using the colorectal cancer cell line LIM1863 as a cell model, a comprehensive evaluation of exosome isolation methods including ultracentrifugation (UC-Exos), OptiPrep™ density-based separation (DG-Exos), and immunoaffinity capture using anti-EpCAM-coated magnetic beads (IAC-Exos) were examined. All exosome isolation methodologies contained 40-150 nm vesicles based on electron microscopy, and positive for exosome markers (Alix, TSG101, HSP70) based on immunoblotting. This protocol employed a proteomic profiling approach to characterize the protein composition of exosomes, and label-free spectral counting to evaluate the effectiveness of each method in exosome isolation. Based on the number of MS/MS spectra identified for exosome markers and proteins associated with their biogenesis, trafficking, and release, IAC-Exos was shown to be the most effective method to isolate exosomes. However, the use of density-based separation (DG-Exos) provides significant advantages for exosome isolation when the use of immunoaffinity capture is limited (due to antibody availability and suitability of exosome markers).

  17. Thermal analysis of a functionally graded material subject to a thermal gradient using the boundary element method

    NASA Technical Reports Server (NTRS)

    Goldberg, Robert K.; Hopkins, Dale A.

    1994-01-01

    The boundary element method is utilized in this study to conduct thermal analysis of functionally graded composites, materials in which the internal microstructure or properties are explicitly tailored in order to obtain an optimal response, on the micromechanical (constituent) scale. A unique feature of the boundary element formulations used here is the use of circular shape functions to convert the two-dimensional integrations of the composite fibers to one dimensional integrations. Using the computer code BEST-CMS, the through the thickness temperature profiles are computed for a representative material with varying numbers of fibers and fiber spacing in the thickness direction. The computed temperature profiles are compared to those obtained using an alternate analytical theory which explicitly couples the heterogeneous microstructure to the global analysis. The boundary element results compared favorably to the analytical calculations, with discrepancies that are explainable based on the boundary element formulation. The results serve both to demonstrate the ability of the boundary element method to analyze these types of materials, and to verify the accuracy of the analytical theory.

  18. Implementation of Analytical Energy Gradient of Spin-Dependent General Hartree-Fock Method Based on the Infinite-Order Douglas-Kroll-Hess Relativistic Hamiltonian with Local Unitary Transformation.

    PubMed

    Nakajima, Yuya; Seino, Junji; Nakai, Hiromi

    2016-05-10

    An analytical energy gradient for the spin-dependent general Hartree-Fock method based on the infinite-order Douglas-Kroll-Hess (IODKH) method was developed. To treat realistic systems, the local unitary transformation (LUT) scheme was employed both in energy and energy gradient calculations. The present energy gradient method was numerically assessed to investigate the accuracy in several diatomic molecules containing fifth- and sixth-period elements and to examine the efficiency in one-, two-, and three-dimensional silver clusters. To arrive at a practical calculation, we also determined the geometrical parameters of fac-tris(2-phenylpyridine)iridium and investigated the efficiency. The numerical results confirmed that the present method describes a highly accurate relativistic effect with high efficiency. The present method can be a powerful scheme for determining geometries of large molecules, including heavy-element atoms.

  19. Gradient Perception of Children’s Productions of /s/ and /θ/:A Comparative Study of Rating Methods

    PubMed Central

    Schellinger, Sarah K.; Munson, Benjamin; Edwards, Jan

    2016-01-01

    Past studies have shown incontrovertible evidence for the existence of covert contrasts in children’s speech, that is, differences between target productions that are nonetheless transcribed with the same phonetic symbol. Moreover, there is evidence that these are relevant to forming prognoses and tracking progress in children with speech sound disorder. A challenge remains to find the most efficient and reliable methods for assessing covert contrasts. This study investigates how readily listeners can identify covert contrasts in children’s speech when using a continuous rating scale in the form of a visual analog scale (VAS) to denote children’s productions. Individual listeners’ VAS responses were found to correlate statistically significantly with a variety of continuous measures of children’s production accuracy, including judgments of binary accuracy pooled over a large set of listeners. These findings reinforce the growing body of evidence that VAS judgments are potentially useful clinical measures of covert contrast. PMID:27552446

  20. Scaling up the Single Transducer Thickness-Independent Ultrasonic Imaging Method for Accurate Characterization of Microstructural Gradients in Monolithic and Composite Tubular Structures

    NASA Technical Reports Server (NTRS)

    Roth, Don J.; Carney, Dorothy V.; Baaklini, George Y.; Bodis, James R.; Rauser, Richard W.

    1998-01-01

    Ultrasonic velocity/time-of-flight imaging that uses back surface reflections to gauge volumetric material quality is highly suited for quantitative characterization of microstructural gradients including those due to pore fraction, density, fiber fraction, and chemical composition variations. However, a weakness of conventional pulse-echo ultrasonic velocity/time-of-flight imaging is that the image shows the effects of thickness as well as microstructural variations unless the part is uniformly thick. This limits this imaging method's usefulness in practical applications. Prior studies have described a pulse-echo time-of-flight-based ultrasonic imaging method that requires using a single transducer in combination with a reflector plate placed behind samples that eliminates the effect of thickness variation in the image. In those studies, this method was successful at isolating ultrasonic variations due to material microstructure in plate-like samples of silicon nitride, metal matrix composite, and polymer matrix composite. In this study, the method is engineered for inspection of more complex-shaped structures-those having (hollow) tubular/curved geometry. The experimental inspection technique and results are described as applied to (1) monolithic mullite ceramic and polymer matrix composite 'proof-of-concept' tubular structures that contain machined patches of various depths and (2) as-manufactured monolithic silicon nitride ceramic and silicon carbide/silicon carbide composite tubular structures that might be used in 'real world' applications.

  1. Comparative study of methods to calibrate the stiffness of a single-beam gradient-force optical tweezers over various laser trapping powers

    PubMed Central

    Sarshar, Mohammad; Wong, Winson T.; Anvari, Bahman

    2014-01-01

    Abstract. Optical tweezers have become an important instrument in force measurements associated with various physical, biological, and biophysical phenomena. Quantitative use of optical tweezers relies on accurate calibration of the stiffness of the optical trap. Using the same optical tweezers platform operating at 1064 nm and beads with two different diameters, we present a comparative study of viscous drag force, equipartition theorem, Boltzmann statistics, and power spectral density (PSD) as methods in calibrating the stiffness of a single beam gradient force optical trap at trapping laser powers in the range of 0.05 to 1.38 W at the focal plane. The equipartition theorem and Boltzmann statistic methods demonstrate a linear stiffness with trapping laser powers up to 355 mW, when used in conjunction with video position sensing means. The PSD of a trapped particle’s Brownian motion or measurements of the particle displacement against known viscous drag forces can be reliably used for stiffness calibration of an optical trap over a greater range of trapping laser powers. Viscous drag stiffness calibration method produces results relevant to applications where trapped particle undergoes large displacements, and at a given position sensing resolution, can be used for stiffness calibration at higher trapping laser powers than the PSD method. PMID:25375348

  2. Quantitative structure-retention relationships applied to liquid chromatography gradient elution method for the determination of carbonyl-2,4-dinitrophenylhydrazone compounds.

    PubMed

    Cirera-Domènech, Elisenda; Estrada-Tejedor, Roger; Broto-Puig, Francesc; Teixidó, Jordi; Gassiot-Matas, Miquel; Comellas, Lluís; Lliberia, Josep Lluís; Méndez, Alberto; Paz-Estivill, Susanna; Delgado-Ortiz, Maria Rosa

    2013-02-08

    A usual method for the determination of aldehydes and ketones in different matrices consists of a derivatization with 2,4-dinitrophenylhydrazine (DNPH) followed by HPLC-UV analysis. In the present work, a HPLC-UV gradient elution method has been applied to the analysis of 13 aldehydes and ketones-DNPH in automotive emission samples. In addition to these 13 compounds-DNPH, several carbonyl-DNPH compounds (linear, ramified and cyclic, saturated and unsaturated compounds) have been analyzed by HPLC-UV. Quantitative structure-retention relationships (QSRR) methods have been applied to predict the logarithm of capacity factor (logk') of carbonyl-DNPH compounds. According to its physicochemical meaning, combinations of 2 and 3 molecular descriptors have been proposed in order to achieve higher correlation with logk'. Using linear and non-linear QSRR methodologies, the resulting prediction models allowed the screening of the most probable carbonyl-DNPH derivative candidates that correspond to unknown compounds detected in automotive emission samples. This information has been useful for their identification by UPLC(®)-MS/MS. In addition, the chromatographic retention of different carbonyl-DNPH compound families was studied using two HPLC isocratic methods working with two orthogonal stationary phases (octadecylpolyethoxysilane and cyanopropyl). Differences between the retention indexes obtained for each column were used for classifying carbonyl-DNPH into compounds families.

  3. An automatic differentiation-based gradient method for inversion of the shear wave equation in magnetic resonance elastography: specific application in fibrous soft tissues

    NASA Astrophysics Data System (ADS)

    Chatelin, Simon; Charpentier, Isabelle; Corbin, Nadège; Meylheuc, Laurence; Vappou, Jonathan

    2016-07-01

    Quantitative and accurate measurement of in vivo mechanical properties using dynamic elastography has been the scope of many research efforts over the past two decades. Most of the shear-wave-based inverse approaches for magnetic resonance elastography (MRE) make the assumption of isotropic viscoelasticity. In this paper, we propose a quantitative gradient method for inversion of the shear wave equation in anisotropic media derived from a full waveform description using analytical viscoelastic Green formalism and automatic differentiation. The abilities and performances of the proposed identification method are first evaluated on numerical phantoms calculated in a transversely isotropic medium, and subsequently on experimental MRE data measured on an isotropic hydrogel phantom, on an anisotropic cryogel phantom and on an ex vivo fibrous muscle. The experiments are carried out by coupling circular shear wave profiles generated by acoustic radiation force and MRE acquisition of the wave front. Shear modulus values obtained by our MRE method are compared to those obtained by rheometry in the isotropic hydrogel phantom, and are found to be in good agreement despite non-overlapping frequency ranges. Both the cryogel and the ex vivo muscle are found to be anisotropic. Stiffness values in the longitudinal direction are found to be 1.8 times and 1.9 times higher than those in the transverse direction for the cryogel and the muscle, respectively. The proposed method shows great perspectives and substantial benefits for the in vivo quantitative investigation of complex mechanical properties in fibrous soft tissues.

  4. Comparative study of methods to calibrate the stiffness of a single-beam gradient-force optical tweezers over various laser trapping powers.

    PubMed

    Sarshar, Mohammad; Wong, Winson T; Anvari, Bahman

    2014-01-01

    Optical tweezers have become an important instrument in force measurements associated with various physical, biological, and biophysical phenomena. Quantitative use of optical tweezers relies on accurate calibration of the stiffness of the optical trap. Using the same optical tweezers platform operating at 1064 nm and beads with two different diameters, we present a comparative study of viscous drag force, equipartition theorem, Boltzmann statistics, and power spectral density (PSD) as methods in calibrating the stiffness of a single beam gradient force optical trap at trapping laser powers in the range of 0.05 to 1.38 W at the focal plane. The equipartition theorem and Boltzmann statistic methods demonstrate a linear stiffness with trapping laser powers up to 355 mW, when used in conjunction with video position sensing means. The PSD of a trapped particle's Brownian motion or measurements of the particle displacement against known viscous drag forces can be reliably used for stiffness calibration of an optical trap over a greater range of trapping laser powers. Viscous drag stiffness calibration method produces results relevant to applications where trapped particle undergoes large displacements, and at a given position sensing resolution, can be used for stiffness calibration at higher trapping laser powers than the PSD method.

  5. A new approach to mixed H2/H infinity controller synthesis using gradient-based parameter optimization methods

    NASA Technical Reports Server (NTRS)

    Ly, Uy-Loi; Schoemig, Ewald

    1993-01-01

    In the past few years, the mixed H(sub 2)/H-infinity control problem has been the object of much research interest since it allows the incorporation of robust stability into the LQG framework. The general mixed H(sub 2)/H-infinity design problem has yet to be solved analytically. Numerous schemes have considered upper bounds for the H(sub 2)-performance criterion and/or imposed restrictive constraints on the class of systems under investigation. Furthermore, many modern control applications rely on dynamic models obtained from finite-element analysis and thus involve high-order plant models. Hence the capability to design low-order (fixed-order) controllers is of great importance. In this research a new design method was developed that optimizes the exact H(sub 2)-norm of a certain subsystem subject to robust stability in terms of H-infinity constraints and a minimal number of system assumptions. The derived algorithm is based on a differentiable scalar time-domain penalty function to represent the H-infinity constraints in the overall optimization. The scheme is capable of handling multiple plant conditions and hence multiple performance criteria and H-infinity constraints and incorporates additional constraints such as fixed-order and/or fixed structure controllers. The defined penalty function is applicable to any constraint that is expressible in form of a real symmetric matrix-inequity.

  6. A low-complexity 2-point step size gradient projection method with selective function evaluations for smoothed total variation based CBCT reconstructions

    NASA Astrophysics Data System (ADS)

    Song, Bongyong; Park, Justin C.; Song, William Y.

    2014-11-01

    The Barzilai-Borwein (BB) 2-point step size gradient method is receiving attention for accelerating Total Variation (TV) based CBCT reconstructions. In order to become truly viable for clinical applications, however, its convergence property needs to be properly addressed. We propose a novel fast converging gradient projection BB method that requires ‘at most one function evaluation’ in each iterative step. This Selective Function Evaluation method, referred to as GPBB-SFE in this paper, exhibits the desired convergence property when it is combined with a ‘smoothed TV’ or any other differentiable prior. This way, the proposed GPBB-SFE algorithm offers fast and guaranteed convergence to the desired 3DCBCT image with minimal computational complexity. We first applied this algorithm to a Shepp-Logan numerical phantom. We then applied to a CatPhan 600 physical phantom (The Phantom Laboratory, Salem, NY) and a clinically-treated head-and-neck patient, both acquired from the TrueBeam™ system (Varian Medical Systems, Palo Alto, CA). Furthermore, we accelerated the reconstruction by implementing the algorithm on NVIDIA GTX 480 GPU card. We first compared GPBB-SFE with three recently proposed BB-based CBCT reconstruction methods available in the literature using Shepp-Logan numerical phantom with 40 projections. It is found that GPBB-SFE shows either faster convergence speed/time or superior convergence property compared to existing BB-based algorithms. With the CatPhan 600 physical phantom, the GPBB-SFE algorithm requires only 3 function evaluations in 30 iterations and reconstructs the standard, 364-projection FDK reconstruction quality image using only 60 projections. We then applied the algorithm to a clinically-treated head-and-neck patient. It was observed that the GPBB-SFE algorithm requires only 18 function evaluations in 30 iterations. Compared with the FDK algorithm with 364 projections, the GPBB-SFE algorithm produces visibly equivalent quality CBCT

  7. A low-complexity 2-point step size gradient projection method with selective function evaluations for smoothed total variation based CBCT reconstructions.

    PubMed

    Song, Bongyong; Park, Justin C; Song, William Y

    2014-11-07

    The Barzilai-Borwein (BB) 2-point step size gradient method is receiving attention for accelerating Total Variation (TV) based CBCT reconstructions. In order to become truly viable for clinical applications, however, its convergence property needs to be properly addressed. We propose a novel fast converging gradient projection BB method that requires 'at most one function evaluation' in each iterative step. This Selective Function Evaluation method, referred to as GPBB-SFE in this paper, exhibits the desired convergence property when it is combined with a 'smoothed TV' or any other differentiable prior. This way, the proposed GPBB-SFE algorithm offers fast and guaranteed convergence to the desired 3DCBCT image with minimal computational complexity. We first applied this algorithm to a Shepp-Logan numerical phantom. We then applied to a CatPhan 600 physical phantom (The Phantom Laboratory, Salem, NY) and a clinically-treated head-and-neck patient, both acquired from the TrueBeam™ system (Varian Medical Systems, Palo Alto, CA). Furthermore, we accelerated the reconstruction by implementing the algorithm on NVIDIA GTX 480 GPU card. We first compared GPBB-SFE with three recently proposed BB-based CBCT reconstruction methods available in the literature using Shepp-Logan numerical phantom with 40 projections. It is found that GPBB-SFE shows either faster convergence speed/time or superior convergence property compared to existing BB-based algorithms. With the CatPhan 600 physical phantom, the GPBB-SFE algorithm requires only 3 function evaluations in 30 iterations and reconstructs the standard, 364-projection FDK reconstruction quality image using only 60 projections. We then applied the algorithm to a clinically-treated head-and-neck patient. It was observed that the GPBB-SFE algorithm requires only 18 function evaluations in 30 iterations. Compared with the FDK algorithm with 364 projections, the GPBB-SFE algorithm produces visibly equivalent quality CBCT image for

  8. Validation of a simple HPLC-UV method for rifampicin determination in plasma: Application to the study of rifampicin arteriovenous concentration gradient.

    PubMed

    Goutal, Sébastien; Auvity, Sylvain; Legrand, Tiphaine; Hauquier, Fanny; Cisternino, Salvatore; Chapy, Hélène; Saba, Wadad; Tournier, Nicolas

    2016-05-10

    In clinical practice, rifampicin exposure is estimated from its concentration in venous blood samples. In this study, we hypothesized that differences in rifampicin concentration may exist between arterial and venous plasma. An HPLC-UV method for determining rifampicin concentration in plasma using rifapentine as an internal standard was validated. The method, which requires a simple protein precipitation procedure as sample preparation, was performed to compare venous and arterial plasma kinetics after a single therapeutic dose of rifampicin (8.6 mg/kg i.v, infused over 30 min) in baboons (n=3). The method was linear from 0.1 to 40 μg mL(-1) and all validation parameters fulfilled the international requirements. In baboons, rifampicin concentration in arterial plasma was higher than in venous plasma. Arterial Cmax was 2.1±0.2 fold higher than venous Cmax. The area under the curve (AUC) from 0 to 120 min was ∼80% higher in arterial plasma, indicating a significant arteriovenous concentration gradient in early rifampicin pharmacokinetics. Arterial and venous plasma concentrations obtained 6h after rifampicin injection were not different. An important arteriovenous equilibration delay for rifampicin pharmacokinetics is reported. Determination in venous plasma concentrations may considerably underestimate rifampicin exposure to organs during the distribution phase. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Biomolecular gradients in cell culture systems

    PubMed Central

    Keenan, Thomas M.

    2013-01-01

    Biomolecule gradients have been shown to play roles in a wide range of biological processes including development, inflammation, wound healing, and cancer metastasis. Elucidation of these phenomena requires the ability to expose cells to biomolecule gradients that are quantifiable, controllable, and mimic those that are present in vivo. Here we review the major biological phenomena in which biomolecule gradients are employed, traditional in vitro gradient-generating methods developed over the past 50 years, and new microfluidic devices for generating gradients. Microfluidic gradient generators offer greater levels of precision, quantitation, and spatiotemporal gradient control than traditional methods, and may greatly enhance our understanding of many biological phenomena. For each method, we outline the salient features, capabilities, and applications. PMID:18094760

  10. Fast gradient elution reversed-phase liquid chromatography with diode-array detection as a high-throughput screening method for drugs of abuse. II. Data analysis.

    PubMed

    Porter, Sarah E G; Stoll, Dwight R; Paek, Changyub; Rutan, Sarah C; Carr, Peter W

    2006-12-29

    In Part I of this work, we developed a method for the detection of drugs of abuse in biological samples based on fast gradient elution liquid-chromatography coupled with diode array spectroscopic detection (LC-DAD). In this part of the work, we apply the chemometric method of target factor analysis (TFA) to the chromatograms. This algorithm identifies the target compounds present in chromatograms based on a spectral library, resolves nearly co-eluting components, and differentiates between drugs with similar spectra. The ability to resolve highly overlapped peaks using the spectral data afforded by the DAD is what distinguishes the present method from conventional library searching methods. Our library has a mean list length (MLL) of 1.255 and a discriminating power of 0.997 when both retention index and spectral factors are considered. The algorithm compares a library of 47 different compounds of toxicological relevance to unknown samples and identifies which compounds are present based on spectral and retention index matching. The application of a corrected retention index for identification rather than raw retention times compensates for long-term and column-to-column retention time shifts and allows for the use of a single library of spectral and retention data. Training data sets were used to establish the search and identification parameters of the method. A validation data set of 70 chromatograms was used to calculate the sensitivity (correct identification of positives) and specificity (correct identification of negatives) of the method, which were found to be 92% and 94%, respectively.

  11. Comparison of the effect of different media on the clinical outcomes of the density-gradient centrifugation/swim-up and swim-up methods

    PubMed Central

    Kim, Eun-Kyung; Kim, Eun-Ha; Kim, Eun-Ah; Lee, Kyung-Ah; Shin, Ji-Eun

    2015-01-01

    Objective Sperm must be properly prepared in in vitro fertilization (IVF)-embryo transfer (ET) programs in order to control the fertilization rate and ensure that embryos are of high quality and have appropriate developmental abilities. The objective of this study was to determine the most optimal sperm preparation method for IVF. Methods Patients less than 40 years of age who participated in a fresh IVF-ET cycle from November 2012 to March 2013 were included in this study. Poor responders with less than three mature oocytes were excluded. Ham's F-10 medium or sperm-washing medium (SWM) was used in combination with the density-gradient centrifugation/swim-up (DGC-SUP) or SUP methods for sperm preparation. A total of 429 fresh IVF-ET cycles were grouped according to the media and methods used for sperm preparation and retrospectively analyzed (DGC-SUP/Ham's F-10, n=82; DGC-SUP/SWM, n=43; SUP/Ham's F-10, n=181; SUP/SWM, n=123). Results There were no significant differences among these four groups with respect to the mean age of the female partners, duration of infertility, number of previous IVF cycles, and retrieved oocytes. We determined that both the DGC-SUP and SUP methods for sperm preparation from whole semen, using either Ham's F-10 or SWM media, result in comparable clinical outcomes, including fertilization and pregnancy rates. Conclusion We suggest that both media and both methods for sperm preparation can be used for selecting high-quality sperm for assistive reproductive technology programs. PMID:25874170

  12. Gradient Index Lens Research

    DTIC Science & Technology

    1981-10-19

    Finally, an assessment of the current technologies in gradient index has been made. This includes a series of recommendations w’iich will be...17 III. Ray Tracing in Anamorphic Gradient Index Media ......... 20 IV. Fabrication of Six Gradient Index Samples ............. 27 V. Technology ...for a basic understanding of what can and cannot be done with gradient index lenses, aside from any lack of technology for making a paricular gradient

  13. Comparison of the effect of different media on the clinical outcomes of the density-gradient centrifugation/swim-up and swim-up methods.

    PubMed

    Kim, Eun-Kyung; Kim, Eun-Ha; Kim, Eun-Ah; Lee, Kyung-Ah; Shin, Ji-Eun; Kwon, Hwang

    2015-03-01

    Sperm must be properly prepared in in vitro fertilization (IVF)-embryo transfer (ET) programs in order to control the fertilization rate and ensure that embryos are of high quality and have appropriate developmental abilities. The objective of this study was to determine the most optimal sperm preparation method for IVF. Patients less than 40 years of age who participated in a fresh IVF-ET cycle from November 2012 to March 2013 were included in this study. Poor responders with less than three mature oocytes were excluded. Ham's F-10 medium or sperm-washing medium (SWM) was used in combination with the density-gradient centrifugation/swim-up (DGC-SUP) or SUP methods for sperm preparation. A total of 429 fresh IVF-ET cycles were grouped according to the media and methods used for sperm preparation and retrospectively analyzed (DGC-SUP/Ham's F-10, n=82; DGC-SUP/SWM, n=43; SUP/Ham's F-10, n=181; SUP/SWM, n=123). There were no significant differences among these four groups with respect to the mean age of the female partners, duration of infertility, number of previous IVF cycles, and retrieved oocytes. We determined that both the DGC-SUP and SUP methods for sperm preparation from whole semen, using either Ham's F-10 or SWM media, result in comparable clinical outcomes, including fertilization and pregnancy rates. We suggest that both media and both methods for sperm preparation can be used for selecting high-quality sperm for assistive reproductive technology programs.

  14. Assessment of arsenic availability in soils using the diffusive gradients in thin films (DGT) technique--a comparison study of DGT and classic extraction methods.

    PubMed

    Wang, Jinjin; Bai, Lingyu; Zeng, Xibai; Su, Shiming; Wang, Yanan; Wu, Cuixia

    2014-01-01

    This study was conducted to evaluate the feasibility and accuracy of available arsenic (As) measurement in soils using the diffusive gradients in thin films (DGT) technique and to shed further light on the risk evaluation of As-contaminated soils. A bio-indicator method was used to evaluate the dependence of As concentrations in plant tissues (edible rape) on the As concentrations measured by other methods. DGT, extraction of soil pore water, 0.5 M NaHCO3, 1 M HCl, 1 M NH4Cl, 0.5 M NH4F, 0.1 M NaOH and 0.25 M H2SO4 extraction methods, as well as total As content in the soil were employed in this study. Edible rape was grown in 43 soils containing different concentrations of As. A better correlation was obtained between the As concentrations in plant tissues and the As concentrations measured by DGT than between plant concentrations and those measured by other methods. The coefficients of determination (R(2)) before and after growth of edible rape were 0.84 and 0.83, respectively. Levels of As in plants and in soil pore water were also closely related: the coefficients of determination (R(2)) between these variables before and after growth of edible rape were 0.83 and 0.81, respectively. Measurements from the chemical extraction methods were inferior to those from DGT and soil pore water. Levels of As in plants were more scattered and nonlinear with respect to total soil As content (R(2) = 0.27). The As measured by DGT closely reflected the pool of plant-adsorbed As. From the data obtained in this study, we can conclude that DGT is an effective technique for the prediction and assessment of As bioavailability in soils.

  15. Gradient adjustment method for better discriminating correlating and non-correlating regions of physiological signals: application to the partitioning of impaired and intact zones of cerebral autoregulation.

    PubMed

    Addison, Paul S; Antunes, André; Montgomery, Dean; Borg, Ulf R

    2017-08-01

    Cerebral blood flow (CBF) is regulated over a range of systemic blood pressures by the cerebral autoregulation (CA) control mechanism. This range lies within the lower and upper limits of autoregulation (LLA, ULA), beyond which blood pressure drives CBF, and CA function is considered impaired. A standard method to determine autoregulation limits noninvasively using NIRS technology is via the COx measure: a moving correlation index between mean arterial pressure and regional oxygen saturation. In the intact region, there should be no correlation between these variables whereas in the impaired region, the correlation index should approximate unity. In practice, however, the data may be noisy and/or the intact region may often exhibit a slightly positive relationship. This positive relationship may render traditional autoregulation limit calculations difficult to perform, resulting in the need for manual interpretation of the data using arbitrary thresholds. Further, the underlying mathematics of the technique are asymmetric in terms of the results produced for impaired and intact regions and are, in fact, not computable for the ideal case within the intact region. In this work, we propose a novel gradient adjustment method (GACOx) to enhance the differences in COx values observed in the intact and impaired regions. Results from a porcine model (N = 8) are used to demonstrate that GACOx is successful in determining LLA values where traditional methods fail. It is shown that the derived GACOx indices exhibit a mean difference between the intact/impaired regions of 1.54 ± 0.26 (mean ± SD), compared to 0.14 ± 0.10 for the traditional COx method. The GACOx effectively polarizes the COx data in order to better differentiate the intact and impaired zones and, in doing so, makes the determination of the LLA and ULA points a simpler and more consistent task. The method lends itself to the automation of the robust determination of autoregulation zone limits.

  16. Mercury Distribution in the Deûle River (Northern France) Measured by the Diffusive Gradients in Thin Films Technique and Conventional Methods.

    PubMed

    Diviš, Pavel; Kadlecová, Milada; Ouddane, Baghdad

    2016-05-01

    The distribution of mercury in surface water and in sediment from Deûle River in Northern France was studied by application of conventional sampling methods and by diffusive gradients in thin films technique (DGT). Concentration of total dissolved mercury in surface water was 20.8 ± 0.8 ng l(-1). The particulate mercury concentration was 6.2 ± 0.6 µg g(-1). The particulate mercury was accumulated in sediment (9.9 ± 2.3 mg kg(-1)), and it was transformed by methylating bacteria to methylmercury, mainly in the first 2-cm layer of the sediment. Total dissolved concentration of mercury in sediment pore water obtained by application of centrifugation extraction was 17.6 ± 4.1 ng l(-1), and it was comparable with total dissolved pore water mercury concentration measured by DGT probe containing Duolite GT-73 resin gel (18.2 ± 4.3 ng l(-1)), taking the sediment heterogeneity and different principles of the applied methods into account. By application of two DGT probes with different resin gels specific for mercury, it was found that approximately 30% of total dissolved mercury in sediment pore water was present in labile forms easy available for biota. The resolution of mercury DGT depth profiles was 0.5 cm, which allows, unlike conventional techniques, to study the connection of the geochemical cycle of mercury with geochemical cycles of iron and manganese.

  17. [Development of a gentamicin producer under different culture conditions studied by a method of differential centrifugation of the mycelium in a saccharose density gradient].

    PubMed

    Losev, V V; Laznikova, T N; Dmitrieva, S V

    1981-05-01

    The method of differential centrifugation in the sucrose density gradient (SDG) enabled one to trace the changes in the development of the seed and fermentation mycelium of the gentamicin-producing organism. Correlation between gentamicin distribution in the SDG and the culture productivity was found. It was shown that the culture grown under the optimal aeration and agitation conditions was characterized by formation of higher amounts of the mycelium in the 5th and 6th layers of the SDG. Such mycelium was more productive than that from the other SDG layers. The most productive 48-hour seed culture had the more significant part of the mycelium in the 3rd layer of the SDG. When such a culture had the more significant part of the mycelium in the 3rd layer of the SDG. When such a culture was used as the seed material, the activity of the fermentation broth was the highest. The method of differential centrifugation in the SDG provides determination of the culture productivity by the volumes of the fermentation mycelium in the 5th and 6th layers or the seed mycelium in the 3rd layer of the SDG.

  18. Obstructive Form of Hypertrophic Cardiomyopathy-Left Ventricular Outflow Tract Gradient: Novel Methods of Provocation, Monitoring of Biomarkers, and Recent Advances in the Treatment

    PubMed Central

    Dimitrow, Pawel Petkow; Rajtar-Salwa, Renata

    2016-01-01

    Dynamic (latent or/and labile) obstruction of left ventricular outflow (LVOT) was recognized from the earliest clinical descriptions of hypertrophic cardiomyopathy (HCM) and has proved to be a complex phenomenon, as well as arguably the most audible (“visible”) pathophysiological hallmark of this heterogeneous disease. The aim of the current review is focused on two novel issues in a subgroup of obstructive HCM. Firstly, the important methodological problem in HCM is the examination of a subgroup of patients with nonobstructive hypertrophy in resting conditions and hard, but possible provoking obstruction. Recently, investigators have proposed physiological stress test (with double combined stimuli) to disclose such type of patients. The upright exercise is described in the ESC guideline on hypertrophic cardiomyopathy from 2014 and may appear as a candidate for gold standard provocation test. The second novel area of interest is associated with elevated level of signaling biomarkers: hypercoagulation, hemolysis, acquired von Willebrand 2A disease, and enhanced oxidative stress. The accelerated and turbulent flow within narrow LVOT may be responsible for these biochemical disturbances. The most recent advances in the treatment of obstructive HCM are related to nonpharmacological methods of LVOT gradient reduction. This report extensively discusses novel methods. PMID:27247935

  19. Extraction and preparation of high-aroma and low-caffeine instant green teas by the novel column chromatographic extraction method with gradient elution.

    PubMed

    Li, Qing-Rong; Wu, Min; Huang, Rui-Jie; Chen, Ya-Fei; Chen, Chan-Jian; Li, Hui; Ni, He; Li, Hai-Hang

    2017-06-01

    The lack of aroma and natural taste is a critical problem in production and consumption of instant green teas. A method to prepare instant green teas high in-natural-aroma and low-caffeine by the novel column chromatographic extraction with gradient elution is reported. This method simultaneously extracted aroma (or volatile) and non-aroma compounds from green tea. Green tea was loaded into columns with 2.0-fold of petroleum ether (PE): ethanol (8:2). After standing for 3 h until the aroma compounds dissolved, the column was sequentially eluted with 3.0-fold 40% ethanol and 3.5-fold water. The eluant was collected together and automatically separated into PE and ethanol aqueous phases. The aroma extracts was obtained by vacuum-evaporation of PE phase at 45 °C. The ethanol aqueous phase was vacuum-concentrated to aqueous and partially or fully decaffeinated with 4% or 9% charcoal at 70 °C. A regular instant green tea with epigallocatechin-3-gallate: caffeine of 3.5:1 and a low-caffeine instant green tea (less than 1% caffeine) with excellent aroma and taste were prepared, by combining the aroma and non-aroma extracts at a 1:10 ratio. This work provides a practical approach to solve the low-aroma and low-taste problems in the production of high quality instant green teas.

  20. Effects of Conjugate Gradient Methods and Step-Length Formulas on the Multiscale Full Waveform Inversion in Time Domain: Numerical Experiments

    NASA Astrophysics Data System (ADS)

    Liu, Youshan; Teng, Jiwen; Xu, Tao; Badal, José; Liu, Qinya; Zhou, Bing

    2017-05-01

    We carry out full waveform inversion (FWI) in time domain based on an alternative frequency-band selection strategy that allows us to implement the method with success. This strategy aims at decomposing the seismic data within partially overlapped frequency intervals by carrying out a concatenated treatment of the wavelet to largely avoid redundant frequency information to adapt to wavelength or wavenumber coverage. A pertinent numerical test proves the effectiveness of this strategy. Based on this strategy, we comparatively analyze the effects of update parameters for the nonlinear conjugate gradient (CG) method and step-length formulas on the multiscale FWI through several numerical tests. The investigations of up to eight versions of the nonlinear CG method with and without Gaussian white noise make clear that the HS (Hestenes and Stiefel in J Res Natl Bur Stand Sect 5:409-436, 1952), CD (Fletcher in Practical methods of optimization vol. 1: unconstrained optimization, Wiley, New York, 1987), and PRP (Polak and Ribière in Revue Francaise Informat Recherche Opertionelle, 3e Année 16:35-43, 1969; Polyak in USSR Comput Math Math Phys 9:94-112, 1969) versions are more efficient among the eight versions, while the DY (Dai and Yuan in SIAM J Optim 10:177-182, 1999) version always yields inaccurate result, because it overestimates the deeper parts of the model. The application of FWI algorithms using distinct step-length formulas, such as the direct method ( Direct), the parabolic search method ( Search), and the two-point quadratic interpolation method ( Interp), proves that the Interp is more efficient for noise-free data, while the Direct is more efficient for Gaussian white noise data. In contrast, the Search is less efficient because of its slow convergence. In general, the three step-length formulas are robust or partly insensitive to Gaussian white noise and the complexity of the model. When the initial velocity model deviates far from the real model or the

  1. Physical, Chemical, and Biological Methods and Data from the Urban Land-Use-Gradient Study, Des Plaines and Fox River Basins, Illinois, 1999-2001

    USGS Publications Warehouse

    Adolphson, Debbie L.; Arnold, Terri L.; Fitzpatrick, Faith A.; Harris, Mitchell A.; Richards, Kevin D.; Scudder, Barbara C.; Stewart, Jana S.

    2001-01-01

    Physical, chemical, and biological data were collected at 46 sites in the Fox and Des Plaines River Basins as part of the upper Illinois River Basin study of the U.S. Geological Survey?s National Water-Quality Assessment Program. The data, collected from 1999 to 2001, will be used to determine the effects of urbanization on streams in the Chicago, Illinois, metropolitan area. To examine the possible effects of urbanization on stream-water quality, the sampling sites were selected to represent a gradient of land use changing from agriculture into urban. Urban land use for the selected sites ranged from less than 1 percent urban to 92 percent urban. Data-collection methods are presented in the text portion of this report. Physical characteristics of the stream that were collected include descriptive and qualitative habitat and geomorphic measures. Water samples were analyzed for nutrients (nitrogen and phosphorus), 11 major ions, 46 wastewater indicators, pH, and specific conductance. Aquatic communities were sampled to identify and quantify populations of selected algae, benthic macroinvertebrates, and fish. There were 72 unique fish species collected at all of the sites. The number of benthic macroinvertebrate taxa collected at all the sites ranged from 15 to 48. The data and the associated data documentation are presented on a CD-ROM included with this report.

  2. TV-based conjugate gradient method and discrete L-curve for few-view CT reconstruction of X-ray in vivo data

    SciTech Connect

    Yang, Xiaoli; Hofmann, Ralf; Dapp, Robin; van de Kamp, Thomas; Rolo, Tomy dos Santos; Xiao, Xianghui; Moosmann, Julian; Kashef, Jubin; Stotzka, Rainer

    2015-01-01

    High-resolution, three-dimensional (3D) imaging of soft tissues requires the solution of two inverse problems: phase retrieval and the reconstruction of the 3D image from a tomographic stack of two-dimensional (2D) projections. The number of projections per stack should be small to accommodate fast tomography of rapid processes and to constrain X-ray radiation dose to optimal levels to either increase the duration of in vivo time-lapse series at a given goal for spatial resolution and/or the conservation of structure under X-ray irradiation. In pursuing the 3D reconstruction problem in the sense of compressive sampling theory, we propose to reduce the number of projections by applying an advanced algebraic technique subject to the minimisation of the total variation (TV) in the reconstructed slice. This problem is formulated in a Lagrangian multiplier fashion with the parameter value determined by appealing to a discrete L-curve in conjunction with a conjugate gradient method. The usefulness of this reconstruction modality is demonstrated for simulated and in vivo data, the latter acquired in parallel-beam imaging experiments using synchrotron radiation. (C) 2015 Optical Society of America

  3. A molecular approach to the characterization of the eukaryotic communities of an extreme acidic environment: methods for DNA extraction and denaturing gradient gel electrophoresis analysis.

    PubMed

    Aguilera, Angeles; Gómez, Felipe; Lospitao, Eva; Amils, Ricardo

    2006-11-01

    The diversity of the phytobenthonic community present in six acidophilic microbial mats from Río Tinto (Iberian Pyritic Belt, SW Spain) was analysed by optical microscopy and two molecular techniques, denaturing gradient gel electrophoresis (DGGE) and sequence analysis of 18S rDNA cloned gene fragments. Sixteen DNA isolation protocols as well as two commercial DNA extraction kits were tested and their efficiency compared. Purified DNA extracts were amplified by PCR using universal eukaryotic primers and the PCR products analysed by DGGE. Bead-mill homogenization was found to be superior to the other cell lysis methodologies assayed (sonication or freeze-thawing cycles) as it allowed efficiencies of cell disruption of over 95%. The methods combining bead-mill homogenization in the presence of SDS, treatment with chemical extractants (hexadecylmethylammonium bromide or guanidine isothiocyanate) and phenol extraction resulted in DNA preparations that amplified the same number of bands when analysed by DGGE as the two commercial kits assayed. The phylogenetic affiliations of the DGGE bands were determined by a BLAST search, and nine different species related to the Chlorophyta, Ciliophora, Kinetoplastida, Ascomycota, Streptophyta and Colcochaetales taxonomical groups were identified. Similar levels of diversity were found using cloning procedures. Although not all the species observed under the microscope were detected using molecular techniques, e.g. euglenas, heliozoan, or amoebae, DGGE fingerprints showed rather well the level of diversity present in the samples analysed, with limitations similar to cloning techniques.

  4. TV-based conjugate gradient method and discrete L-curve for few-view CT reconstruction of X-ray in vivo data

    DOE PAGES

    Yang, Xiaoli; Hofmann, Ralf; Dapp, Robin; ...

    2015-01-01

    High-resolution, three-dimensional (3D) imaging of soft tissues requires the solution of two inverse problems: phase retrieval and the reconstruction of the 3D image from a tomographic stack of two-dimensional (2D) projections. The number of projections per stack should be small to accommodate fast tomography of rapid processes and to constrain X-ray radiation dose to optimal levels to either increase the duration o fin vivo time-lapse series at a given goal for spatial resolution and/or the conservation of structure under X-ray irradiation. In pursuing the 3D reconstruction problem in the sense of compressive sampling theory, we propose to reduce the numbermore » of projections by applying an advanced algebraic technique subject to the minimisation of the total variation (TV) in the reconstructed slice. This problem is formulated in a Lagrangian multiplier fashion with the parameter value determined by appealing to a discrete L-curve in conjunction with a conjugate gradient method. The usefulness of this reconstruction modality is demonstrated for simulated and in vivo data, the latter acquired in parallel-beam imaging experiments using synchrotron radiation.« less

  5. TV-based conjugate gradient method and discrete L-curve for few-view CT reconstruction of X-ray in vivo data

    SciTech Connect

    Yang, Xiaoli; Hofmann, Ralf; Dapp, Robin; van de Kamp, Thomas; Rolo, Tomy dos Santos; Xiao, Xianghui; Moosmann, Julian; Kashef, Jubin; Stotzka, Rainer

    2015-01-01

    High-resolution, three-dimensional (3D) imaging of soft tissues requires the solution of two inverse problems: phase retrieval and the reconstruction of the 3D image from a tomographic stack of two-dimensional (2D) projections. The number of projections per stack should be small to accommodate fast tomography of rapid processes and to constrain X-ray radiation dose to optimal levels to either increase the duration o fin vivo time-lapse series at a given goal for spatial resolution and/or the conservation of structure under X-ray irradiation. In pursuing the 3D reconstruction problem in the sense of compressive sampling theory, we propose to reduce the number of projections by applying an advanced algebraic technique subject to the minimisation of the total variation (TV) in the reconstructed slice. This problem is formulated in a Lagrangian multiplier fashion with the parameter value determined by appealing to a discrete L-curve in conjunction with a conjugate gradient method. The usefulness of this reconstruction modality is demonstrated for simulated and in vivo data, the latter acquired in parallel-beam imaging experiments using synchrotron radiation.

  6. A method for measurement of free cadmium species in waters using diffusive gradients in thin films technique with an ion-imprinted sorbent.

    PubMed

    Fan, Hong-Tao; Lu, Yan; Liu, Ai-Juan; Jiang, Bing; Shen, Hua; Huang, Cong-Cong; Li, Wen-Xiu

    2015-10-15

    A diffusive gradients in thin films (DGT) device for the analysis of free Cd(II) species, based on Cd(II) ion-imprinted sorbent (IIS) as the binding agents and commercial polyethersulfone membrane (PES) as diffusion layer, was developed (PES/IIS-DGT). DGT time-series experiments showed that the mass of free Cd(II) species accumulated by PES/IIS-DGT was linear vs. time (R(2) = 0.9953) and the concentration of free Cd(II) species by PES/IIS-DGT was in good agreement with the total dissolved concentrations of free Cd(II) species in simple synthetic solutions where free ionic species dominated. PES/IIS-DGT performance was independent in the range of pH 4.5-7.5 and ionic strength range from 1.0 × 10(-3) to 0.7 mol L(-1). The measurement of free Cd(II) species in synthetic solution containing different concentrations of ligands by PES/IIS-DGT showed an excellent agreement with the value measured by Cd(II) ion selective electrodes (Cd-ISE), indicating that PES/IIS-DGT method is more suitable than Cd-ISE for the measurement of low concentration of free Cd(II) species due to the enrichment of IIS for the analytes. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. TV-based conjugate gradient method and discrete L-curve for few-view CT reconstruction of X-ray in vivo data.

    PubMed

    Yang, Xiaoli; Hofmann, Ralf; Dapp, Robin; van de Kamp, Thomas; dos Santos Rolo, Tomy; Xiao, Xianghui; Moosmann, Julian; Kashef, Jubin; Stotzka, Rainer

    2015-03-09

    High-resolution, three-dimensional (3D) imaging of soft tissues requires the solution of two inverse problems: phase retrieval and the reconstruction of the 3D image from a tomographic stack of two-dimensional (2D) projections. The number of projections per stack should be small to accommodate fast tomography of rapid processes and to constrain X-ray radiation dose to optimal levels to either increase the duration of in vivo time-lapse series at a given goal for spatial resolution and/or the conservation of structure under X-ray irradiation. In pursuing the 3D reconstruction problem in the sense of compressive sampling theory, we propose to reduce the number of projections by applying an advanced algebraic technique subject to the minimisation of the total variation (TV) in the reconstructed slice. This problem is formulated in a Lagrangian multiplier fashion with the parameter value determined by appealing to a discrete L-curve in conjunction with a conjugate gradient method. The usefulness of this reconstruction modality is demonstrated for simulated and in vivo data, the latter acquired in parallel-beam imaging experiments using synchrotron radiation.

  8. A simple extraction method for the simultaneous detection of tetramisole and diethylcarbamazine in milk, eggs, and porcine muscle using gradient liquid chromatography-tandem mass spectrometry.

    PubMed

    Zhang, Dan; Park, Jin-A; Kim, Dong-Soon; Kim, Seong-Kwan; Shin, Soo-Jean; Shim, Jae-Han; Shin, Sung Chul; Kim, Jin-Suk; Abd El-Aty, A M; Shin, Ho-Chul

    2016-02-01

    Analysis of residual quantities of contaminants in foods of animal origin is crucial for quality control of consumer products. This study was aimed to develop a simple and raid analytical method for detection of tetramisole and diethylcarbamazine using gradient liquid chromatography coupled with tandem mass spectrometry (LC/MS/MS). Tetramisole, diethylcarbamazine, and guaifenesin (as an internal standard) were extracted from milk, eggs, and porcine muscle using acetonitrile followed by partitioning at -20 °C for 1h. No extract purification was deemed necessary. The analytes were separated on C18 column using ammonium formate both in water and methanol. Good linearity was achieved over the tested concentration range with R(2) ⩾ 0.974. Recovery at two fortification levels ranged between 67.47% and 97.38%. The intra- and inter-day precisions were <20%. The limit of quantification was 0.2 and 2 ng/g for tetramisole and diethylcarbamazine, respectively. An analytical survey of samples purchased from large markets showed that none of the samples contained any of the target analytes. To the best of our knowledge, this is the first report on the quantitative determination of tetramisole and diethylcarbamazine in animal food products.

  9. Generalized conjugate gradient squared

    SciTech Connect

    Fokkema, D.R.; Sleijpen, G.L.G.

    1994-12-31

    In order to solve non-symmetric linear systems of equations, the Conjugate Gradient Squared (CGS) is a well-known and widely used iterative method. In practice the method converges fast, often twice as fast as the Bi-Conjugate Gradient method. This is what you may expect, since CGS uses the square of the BiCG polynomial. However, CGS may suffer from its erratic convergence behavior. The method may diverge or the approximate solution may be inaccurate. BiCGSTAB uses the BiCG polynomial and a product of linear factors in an attempt to smoothen the convergence. In many cases, this has proven to be very effective. Unfortunately, the convergence of BiCGSTAB may stall when a linear factor (nearly) degenerates. BiCGstab({ell}) is designed to overcome this degeneration of linear factors. It generalizes BiCGSTAB and uses both the BiCG polynomial and a product of higher order factors. Still, CGS may converge faster than BiCGSTAB or BiCGstab({ell}). So instead of using a product of linear or higher order factors, it may be worthwhile to look for other polynomials. Since the BiCG polynomial is based on a three term recursion, a natural choice would be a polynomial based on another three term recursion. Possibly, a suitable choice of recursion coefficients would result in method that converges faster or as fast as CGS, but less erratic. It turns out that an algorithm for such a method can easily be formulated. One particular choice for the recursion coefficients leads to CGS. Therefore one could call this algorithm generalized CGS. Another choice for the recursion coefficients leads to BiCGSTAB. It is therefore possible to mix linear factors and some polynomial based on a three term recursion. This way one may get the best of both worlds. The authors will report on their findings.

  10. Comparison of N2O fluxes measured using flux-gradient, eddy-covariance, and chamber methods from an agricultural site

    NASA Astrophysics Data System (ADS)

    Brown, S. E.; Sargent, S.; Machado, P.; Freemantle, V.; Carvalho de Sena Rabelo, L.; Wagner-Riddle, C.

    2015-12-01

    Nitrous oxide emissions from agricultural lands occur as pulses at short intervals during various times throughout a given year, with the timing and magnitude dependent on management, soil, and climatic conditions. A thorough assessment of N2O emissions from fertilized fields requires methods capable of measuring fluxes at large temporal and spatial scales. A study investigating the effect of fertilizer treatment on the total annual N2O emissions from cornfields in Southern, Ontario, Canada provided the setting to analyze three methods for measuring N2O fluxes. Four 2-ha plots within a homogeneous 30-ha area were each subject to different nitrogen fertilizer source and timing treatments. N2O fluxes were measured using eddy-covariance (EC), multi-plot flux gradient (FG), and chamber techniques. Each method has advantages and disadvantages. Eddy-covariance is a standard method for measuring fluxes at the resolutions required to assess trace gas emissions, but the erratic nature of agricultural N2O fluxes necessitates testing of N2O analyzers, and the application of the EC method to N2O fluxes. This study acted as a field test of the Campbell Scientific TGA200A tunable diode trace gas analyzer. Testing the TGA200A against a TGA100A provided two simultaneous EC-flux measurements of N2O for one plot. Multi-plot FG measurements have the advantage of providing year-round, spatiality integrated, semi-continuous fluxes for side-by-side comparisons of N2O fluxes from separate treatments under similar climatic and soil conditions, but is a less common practice. Chambers have the advantage of being the most direct means of measuring soil fluxes; however, spatial resolution is low, and winter measurements are often impossible. Preliminary results showed that temporal patterns measured by each of the methods matched for three post-fertilizer N2O emission events of one plot. EC fluxes of N2O measured by each of the TGA analyzers correlated well (r2 = 0.90) and values were on

  11. Patterns of macromycete community assemblage along an elevation gradient: options for fungal gradient and metacommunity analyse

    Treesearch

    Marko Gómez-Hernández; Guadalupe Williams-Linera; Roger Guevara; D. Jean Lodge

    2012-01-01

    Gradient analysis is rarely used in studies of fungal communities. Data on macromycetes from eight sites along an elevation gradient in central Veracruz, Mexico, were used to demonstrate methods for gradient analysis that can be applied to studies of communities of fungi. Selected sites from 100 to 3,500 m altitude represent tropical dry forest, tropical montane cloud...

  12. A fast method for video deblurring based on a combination of gradient methods and denoising algorithms in Matlab and C environments

    NASA Astrophysics Data System (ADS)

    Mirzadeh, Zeynab; Mehri, Razieh; Rabbani, Hossein

    2010-01-01

    In this paper the degraded video with blur and noise is enhanced by using an algorithm based on an iterative procedure. In this algorithm at first we estimate the clean data and blur function using Newton optimization method and then the estimation procedure is improved using appropriate denoising methods. These noise reduction techniques are based on local statistics of clean data and blur function. For estimated blur function we use LPA-ICI (local polynomial approximation - intersection of confidence intervals) method that use an anisotropic window around each point and obtain the enhanced data employing Wiener filter in this local window. Similarly, to improvement the quality of estimated clean video, at first we transform the data to wavelet transform domain and then improve our estimation using maximum a posterior (MAP) estimator and local Laplace prior. This procedure (initial estimation and improvement of estimation by denoising) is iterated and finally the clean video is obtained. The implementation of this algorithm is slow in MATLAB1 environment and so it is not suitable for online applications. However, MATLAB has the capability of running functions written in C. The files which hold the source for these functions are called MEX-Files. The MEX functions allow system-specific APIs to be called to extend MATLAB's abilities. So, in this paper to speed up our algorithm, the written code in MATLAB is sectioned and the elapsed time for each section is measured and slow sections (that use 60% of complete running time) are selected. Then these slow sections are translated to C++ and linked to MATLAB. In fact, the high loads of information in images and processed data in the "for" loops of relevant code, makes MATLAB an unsuitable candidate for writing such programs. The written code for our video deblurring algorithm in MATLAB contains eight "for" loops. These eighth "for" utilize 60% of the total execution time of the entire program and so the runtime should be

  13. Simultaneous determination of L-arginine and 12 molecules participating in its metabolic cycle by gradient RP-HPLC method: application to human urine samples.

    PubMed

    Markowski, Piotr; Baranowska, Irena; Baranowski, Jacek

    2007-12-19

    We have developed and described a highly sensitive, accurate and precise reversed-phase high-performance liquid chromatography (RP-HPLC) method for the simultaneous determination of L-arginine and 12 molecules participating in its metabolic cycle in human urine samples. After pre-column derivatization with ortho-phthaldialdehyde (OPA) reagent containing 3-mercaptopropionic acid (3MPA), the fluorescent derivatives were separated by a gradient elution and detected by fluorescence measurement at 338 nm (excitation) and 455 nm (emission). L-Arginine (ARG) and its metabolites: L-glutamine (GLN), N(G)-hydroxy-L-arginine (NOHA), L-citrulline (CIT), N(G)-monomethyl-L-arginine (NMMA), L-homoarginine (HARG), asymmetric N(G),N(G)-dimethyl-L-arginine (ADMA), symmetric N(G),N(G')-dimethyl-L-arginine (SDMA), L-ornithine (ORN), putrescine (PUT), agmatine (AGM), spermidine (SPERMD) and spermine (SPERM) were extracted in a cation-exchange solid-phase extraction (SPE) column and after derivatization separated in a Purospher STAR RP-18e analytical column. The calibration curves of analysed compounds are linear within the range of concentration: 45-825, 0.2-15, 16-225, 12-285, 0.1-32, 15-235, 0.1-12, 0.1-12, 10-205, 0.02-12, 0.1-24, 0.01-10 and 0.01-8 nmol mL(-1) for GLN, NOHA, CIT, ARG, NMMA, HARG, ADMA, SDMA, ORN, PUT, AGM, SPERMD and SPERM, respectively. The correlation coefficients are greater than 0.9980. Coefficients of variation are not higher than 6.0% for inter-day precision. The method has been determined or tested for limits of detection and quantification, linearity, precision, accuracy and recovery. All detection parameters of the method demonstrate that it is a reliable and efficient means of the comprehensive determination of ARG and its 12 main metabolites, making this approach suitable for routine clinical applications. The levels of analysed compounds in human urine can be successfully determined using this developed method with no matrix effect.

  14. Planar gradient metamaterials

    NASA Astrophysics Data System (ADS)

    Xu, Yadong; Fu, Yangyang; Chen, Huanyang

    2016-12-01

    Metamaterials possess exotic properties that do not exist in nature. Gradient metamaterials, which are characterized by a continuous spatial variation of their properties, provide a promising approach to the development of both bulk and planar optics. In particular, planar gradient metamaterials can be classified into three categories: gradient metasurfaces, gradient index metamaterials and gradient metallic gratings. In this Review, we summarize the progress made in the theoretical modelling of these materials, in their experimental implementation and in the design of functional devices. We discuss the use of planar gradient metamaterials for wave bending and focusing in free space, for supporting surface plasmon polaritons and for the realization of trapped rainbows. We also focus on the implementation of these materials in waveguide systems, which can enable electromagnetic cloaking, Fano resonances, asymmetric transmission and guided mode conversion. Finally, we discuss promising trends, such as the use of dielectric rather than metallic unit elements and the use of planar gradient metamaterials in 3D systems.

  15. [Study of optimal flip angle for inversion-recovery gradient echo method in delayed contrast-enhanced cardiac magnetic resonance imaging].

    PubMed

    Ogawa, Masashi; Matsumura, Yoshio; Tsuchihashi, Toshio

    2013-04-01

    Delayed contrast-enhanced cardiac magnetic resonance imaging (MRI) is a valuable tool for detecting myocardial infarction and assessing myocardial viability. The standard viability MRI technique is the inversion-recovery gradient echo (IR-GRE) method. Several previous studies have demonstrated that this imaging technique provides superior image quality at high magnetic field strengths, e.g., 3.0 T. However, there are numerous possible flip angles. We investigated the optimal flip angle of IR-GRE in delayed contrast-enhanced cardiac MRI. Phantoms were made that modeled infarcted myocardium and normal myocardium after administration of contrast agent. To determine optimal flip angle, we compared the contrast-to-noise ratio (CNR) among these phantoms and evaluated the degree of artifacts induced by increased flip angle. The flip angle that showed the highest CNR for 2D IR-GRE and 3D IR-GRE was 30°/15° at 1.5 T and 25°/15° at 3.0 T. The flip angle that showed the highest CNR was independent of R-R interval. Streak artifacts induced by increased flip angle tended to occur more readily at 3.0 T than 1.5 T. The optimal flip angle for 2D IR-GRE and 3D IR-GRE at 1.5 T was 30° and 15°, respectively. At 3.0 T, taking into account the results for both CNR and streak artifacts, we concluded the optimal flip angle of 2D IR-GRE to be 15-20°.

  16. Predicting tree species presence and basal area in Utah: A comparison of stochastic gradient boosting, generalized additive models, and tree-based methods

    USGS Publications Warehouse

    Moisen, G.G.; Freeman, E.A.; Blackard, J.A.; Frescino, T.S.; Zimmermann, N.E.; Edwards, T.C.

    2006-01-01

    Many efforts are underway to produce broad-scale forest attribute maps by modelling forest class and structure variables collected in forest inventories as functions of satellite-based and biophysical information. Typically, variants of classification and regression trees implemented in Rulequest's?? See5 and Cubist (for binary and continuous responses, respectively) are the tools of choice in many of these applications. These tools are widely used in large remote sensing applications, but are not easily interpretable, do not have ties with survey estimation methods, and use proprietary unpublished algorithms. Consequently, three alternative modelling techniques were compared for mapping presence and basal area of 13 species located in the mountain ranges of Utah, USA. The modelling techniques compared included the widely used See5/Cubist, generalized additive models (GAMs), and stochastic gradient boosting (SGB). Model performance was evaluated using independent test data sets. Evaluation criteria for mapping species presence included specificity, sensitivity, Kappa, and area under the curve (AUC). Evaluation criteria for the continuous basal area variables included correlation and relative mean squared error. For predicting species presence (setting thresholds to maximize Kappa), SGB had higher values for the majority of the species for specificity and Kappa, while GAMs had higher values for the majority of the species for sensitivity. In evaluating resultant AUC values, GAM and/or SGB models had significantly better results than the See5 models where significant differences could be detected between models. For nine out of 13 species, basal area prediction results for all modelling techniques were poor (correlations less than 0.5 and relative mean squared errors greater than 0.8), but SGB provided the most stable predictions in these instances. SGB and Cubist performed equally well for modelling basal area for three species with moderate prediction success

  17. On the evaluation of nonadiabatic coupling matrix elements for MCSCF/CI wave functions. IV. Second derivative terms using analytic gradient methods

    NASA Astrophysics Data System (ADS)

    Saxe, Paul; Yarkony, David R.

    1987-01-01

    A recently proposed methodology for determining second derivative nonadiabatic coupling matrix elements h(J,I,Rα,R) ≡<ΨJ(r;R)‖(∂2/∂R2α )ΨI(r;R)>r based on analytic gradient methods is implemented and discussed. Here r denotes the electronic coordinates, R the nuclear coordinates, and the ΨJ (r;R) are eigenfunctions of the nonrelativistic Born-Oppenheimer Hamiltonian at the state averaged MCSCF/CI level. The region of a conical intersection of the 1,2 2A' potential energy surfaces of the Li-H2 system is considered in order to illustrate the potential of this approach. The relation between h(J,I,Rα,R) and the first derivative matrix elements g(J,I,Rα,R) ≡<ΨJ(r;R)‖(∂/∂Rα)ΨI (r;R)>r is considered and the role of symmetry discussed. The h(J,I,Rα,R) are analyzed in terms of contributions from molecular orbital and CI coefficient derivatives and the importance of the various nuclear degree of freedom, Rα, is considered. It is concluded that for the case considered a flexible multiconfiguration wave function is desirable for characterizing h(J,I,Rα,R). This methodology complements recent advances in treating nonadiabatic processes for diatomic and triatomic systems starting with adiabatic states, including the work of Mead, Truhlar, and co-workers on conical (Jahn-Teller) intersections in X3 systems, by providing an essential computational step for the ab initio characterization the relevant electronic structure parameters.

  18. Development and validation of a gradient HPLC method for the determination of clindamycin and related compounds in a novel tablet formulation.

    PubMed

    Platzer, Daniel J; White, Brent A

    2006-04-11

    A gradient reversed-phase HPLC method was developed and validated for potency, content uniformity, and impurity determinations for a novel tablet formulation containing clindamycin. The assay utilized UV detection at 214 nm and a Waters Xterra RP18 column (4.6 mm x 100 mm, 3.5 microm). The mobile phases were comprised of pH 10.5, 10 mM carbonate buffer and acetonitrile. Validation experiments were performed to demonstrate specificity, linearity, accuracy (i.e., average recovery from the formulation), precision (i.e., repeatability), limit of quantitation (LOQ), and robustness (i.e., sample solution stability and buffer pH effects on specificity). The assay was shown to be specific for clindamycin, several impurities, and triethyl citrate, a retained excipient that was present in the dosage form. The assay was proved linear (concentration versus peak area) for clindamycin and several select impurities over the ranges of 70-130% and 0.1-5%, respectively. UV relative response factors were determined for the impurities from the linearity data. The accuracy of clindamycin at the targeted assay concentration was 99.2% (n = 3; precision = 0.12%, R.S.D.); accuracy for lincomycin, a structurally related impurity, was 97.4% (n = 3; precision = 3.5%, R.S.D.) at 0.1% of the targeted assay concentration. By demonstrating an acceptable degree of precision for lincomycin at this level, the LOQ was shown to be no higher than 0.1%. The chromatography was virtually unaffected over a mobile phase buffer pH range spanning 0.4 pH units. Sample solutions were stable for 72 h under ambient conditions.

  19. Optimization of the diffusive gradients in thin films (DGT) method for simultaneous assay of potassium and plant-available phosphorus in soils.

    PubMed

    Zhang, Yulin; Mason, Sean; McNeill, Ann; McLaughlin, Michael J

    2013-09-15

    Potassium (K) and phosphorus (P) are two important macronutrients for crops, and are usually applied to soils as granular fertilizer before seeding. Therefore, accurate soil tests prior to planting to predict crop response to fertilizers are important in optimizing crop yields. Traditional methods used for testing both available K and P in soils, which are based on chemical extraction procedures, are to be soil-type dependent, and the predictive relationships across a broad range of soils are generally poor. The diffusive gradients in thin films (DGT) technique, based on diffusion theory, is extensively used to measure the diffusive supply of trace elements, metals and some nutrients in soils and water. When DGT is used to assess plant-available P in soils, a good relationship is found between crop response to P fertilizer and concentrations of P in soil measured by DGT, and therefore the DGT method provides a more precise recommendation of P fertilizer requirements. Adaptation of the DGT method to measure plant-available K in soils has already been attempted [1], but limitations were reported due to the non-uniform size of the resin gel, decreased K binding rate of the gel at long deployment times and a limited ability to measure a wide range of K concentrations. To eliminate these problems, a new resin gel has been developed by combining Amberlite and ferrihydrite. This mixed Amberlite and ferrihydrite (MAF) gel has improved properties in terms of handling and even distribution of Amberlite in the gel. The elution efficiencies of the MAF gel for K and P were 90% and 96%, respectively. The diffusion coefficient of K through the diffusive gel was 1.30 × 10(-5)cm(2)s(-1) at 22 ± 1°C and was stable through time. Since ferrihydrite is already used in DGT P testing, the ability of the MAF gel to assess available P simultaneously was also assessed. The MAF gel performed the same as the traditional ferrihydrite gel for available P assessment in a wide variety of

  20. Templating Surfaces with Gradient Assemblies

    SciTech Connect

    Genzer,J.

    2005-01-01

    One of the most versatile and widely used methods of forming surfaces with position-dependent wettability is that conceived by Chaudhury and Whitesides more than a decade ago. In this paper we review several projects that utilize this gradient-forming methodology for: controlled of deposition of self-assembled monolayers on surfaces, generating arrays of nanoparticles with number density gradients, probing the mushroom-to-brush transition in surface-anchored polymers, and controlling the speed of moving liquid droplets on surfaces.

  1. Novel speciation method based on Diffusive Gradients in Thin Films for in situ measurement of uranium in the vicinity of the former uranium mining sites.

    PubMed

    Drozdzak, Jagoda; Leermakers, Martine; Gao, Yue; Phrommavanh, Vannapha; Descostes, Michael

    2016-07-01

    The Diffusive Gradients in Thin Films (DGT) technique using PIWBA resin (The Dow Chemical Company) was developed and validated for the measurement of uranium (U) concentration in natural and uranium mining influenced waters. The U uptake on the PIWBA resin gel was 97.3 ± 0.4% (batch method; Vsol = 5 mL; [U] = 20 μg L(-1); 0.01 M NaNO3; pH = 7.0 ± 0.2). The optimal eluent was found to be HNO3conc/70 °C with an elution efficiency of 88.9 ± 1.4%. The laboratory DGT investigation demonstrated that the PIWBA resin gel exhibits a very good performance across a wide range of pH (3-9) and ionic strength (0.001-0.7 M NaNO3) at different time intervals. Neither effect of PO4(3-) (up to 1.72 × 10(-4) M), nor of HCO3(-) (up to 8.20 × 10(-3) M) on the quantitative measurement of uranium by DGT-PIWBA method were observed. Only at very high Ca(2+) (2.66 × 10(-4) M), and SO4(2-) (5.55 × 10(-4) M) concentration, the U uptake on DGT-PIWBA was appreciably lessened. In-situ DGT field evaluation was carried out in the vicinity of three former uranium mining sites in France (Loire-Atlantique and Herault departments), which employ different water treatment technologies and have different natural geochemical characteristics. There was a similar or inferior U uptake on DGT-Chelex(®)-100 in comparison with the U accumulation on a DGT-PIWBA sampler. Most likely, the performance of Chelex(®)-100 was negatively affected by a highly complex matrix of mining waters. The high concentration and identity of co-accumulating analytes, typical for the mining environment, did not have a substantial impact on the quantitative uptake of labile U species on DGT- PIWBA. The use of the polyphenol impregnated anion exchange resin leads to a significant advancement in the application and development of the DGT technique for determination of U in the vicinity of the former uranium mining sites. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Rapid Gradient-Echo Imaging

    PubMed Central

    Hargreaves, Brian

    2012-01-01

    Gradient echo sequences are widely used in magnetic resonance imaging (MRI) for numerous applications ranging from angiography to perfusion to functional MRI. Compared with spin-echo techniques, the very short repetition times of gradient-echo methods enable very rapid 2D and 3D imaging, but also lead to complicated “steady states.” Signal and contrast behavior can be described graphically and mathematically, and depends strongly on the type of spoiling: fully balanced (no spoiling), gradient spoiling, or RF-spoiling. These spoiling options trade off between high signal and pure T1 contrast while the flip angle also affects image contrast in all cases, both of which can be demonstrated theoretically and in image examples. As with spin-echo sequences, magnetization preparation can be added to gradient-echo sequences to alter image contrast. Gradient echo sequences are widely used for numerous applications such as 3D perfusion imaging, functional MRI, cardiac imaging and MR angiography. PMID:23097185

  3. Dynamic thermal gradient gas chromatography.

    PubMed

    Contreras, Jesse A; Wang, Anzi; Rockwood, Alan L; Tolley, H Dennis; Lee, Milton L

    2013-08-09

    The use of negative axial thermal gradients in gas chromatography (TGGC) has intrigued chromatographers since the early 1950s because of the dramatic narrowing of analyte bands and concomitant raised expectations for improving resolving power. However, technical difficulties experienced in construction of TGGC instrumentation and control of the temperature along the column have made its implementation and, hence, detailed study difficult. In this work, we describe a TGGC system capable of rapidly producing and varying thermal gradient profiles by simultaneous use of resistive heating and convective cooling. Heating and cooling rates as high as 1200 and 2500°C/min, respectively, allowed the creation of dynamic temperature gradients. The separation characteristics of TGGC with dynamically changing temperature gradients are demonstrated. A gradient velocity of 2.22cm/s provided repetitive separations every 45s, and injection band widths of 45s duration were transformed into approximately 1-s peak widths. Peak tailing for basic compounds was nearly eliminated. Dynamic TGGC allows unique control over separations, oftentimes improving resolution and detection signal-to-noise. Thermally controlled elution in TGGC holds great promise for performing smart separations in which the separation time window is most efficiently utilized, and optimized separations can be quickly achieved. Rapid adjustment of relative compound elution can be used to greatly reduce GC method development time. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Combinational concentration gradient confinement through stagnation flow.

    PubMed

    Alicia, Toh G G; Yang, Chun; Wang, Zhiping; Nguyen, Nam-Trung

    2016-01-21

    Concentration gradient generation in microfluidics is typically constrained by two conflicting mass transport requirements: short characteristic times (τ) for precise temporal control of concentration gradients but at the expense of high flow rates and hence, high flow shear stresses (σ). To decouple the limitations from these parameters, here we propose the use of stagnation flows to confine concentration gradients within large velocity gradients that surround the stagnation point. We developed a modified cross-slot (MCS) device capable of feeding binary and combinational concentration sources in stagnation flows. We show that across the velocity well, source-sink pairs can form permanent concentration gradients. As source-sink concentration pairs are continuously supplied to the MCS, a permanently stable concentration gradient can be generated. Tuning the flow rates directly controls the velocity gradients, and hence the stagnation point location, allowing the confined concentration gradient to be focused. In addition, the flow rate ratio within the MCS rapidly controls (τ ∼ 50 ms) the location of the stagnation point and the confined combinational concentration gradients at low flow shear (0.2 Pa < σ < 2.9 Pa). The MCS device described in this study establishes the method for using stagnation flows to rapidly generate and position low shear combinational concentration gradients for shear sensitive biological assays.

  5. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

    SciTech Connect

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  6. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.

    PubMed

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  7. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur

    2014-09-01

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  8. Improved parameterization of dust emission (PM10) fluxes by the gradient method using the Naiman tower data at the Horqin desert in China.

    PubMed

    Park, Moon-Soo; Park, Soon-Ung; Chun, Youngsin

    2011-12-15

    Dust emission/deposition flux has been estimated using the gradient method with the two-level (3 and 15m high) measured PM(10) concentrations and the sonic anemometer measured momentum and kinematic heat fluxes at 8m high from a 20-m monitoring tower located at Naiman (Horqin desert) in the Asian dust source region in China for the winter of November 2007 to March 2008. The time series of measured PM(10) concentration at 3m high is used to identify the dust event and the non-dust event periods. It is found that the dust emission/deposition flux (F(C)) shows a significant diurnal variation with the maximum emission flux of 5.8 kg km(-2)h(-1) at noon and the minimum of -1.6 kg km(-2)h(-1) in the afternoon for the non-dust event cases. Whereas for the dust event cases, the dust emission flux is found to occur when the prevailing winds are westerlies to northerlies with the maximum flux of 1275 kg km(-2)d(-1), while the maximum dust deposition flux of 148 kg km(-2)d(-1) occurs with the prevailing winds of southerlies to easterlies without any diurnal variation. The optimal regression equation between F(C) and the friction velocity (u(*)) for the dust emission cases is found to be F(C)=9.55 u(*)(3.13) with the R(2) value of 0.73. However, this regression equation can be improved by taking into account the convective velocity (w(*)). The resulting optimal regression equation is found to be F(C)=9.3(u(*)-0.1w(*))(3.19) for the stable stratification (w(*)<0) with the R(2) value of 0.77 and F(C)=10.5(u(*)+0.34w(*))(4.11) for the unstable stratification (w(*)>0) with the R(2) value of 0.78, suggesting the importance of the convective velocity on the dust emission flux.

  9. Repeatability of a dual gradient-recalled echo MRI method for monitoring post-isometric contraction blood volume and oxygenation changes.

    PubMed

    Sanchez, O A; Louie, E A; Copenhaver, E A; Damon, B M

    2009-08-01

    The purpose of this study was to assess the repeatability of a dual gradient-recalled echo (GRE) muscle functional MRI technique. On 2 days, subjects (n = 8) performed 10 s isometric dorsiflexion contractions under conditions of: (1) maximal voluntary contraction (MVC), (2) 50% MVC (50% MVC), or (3) 50% MVC with concurrent proximal arterial cuff occlusion (50% MVC(cuff)). Functional MRI data were acquired using single-slice dual GRE (TR/TE = 1000/6, 46 ms)-echo planar imaging for 20 s before, during, and for 180 s after each contraction. The mean signal intensity (SI) time courses at each TE (SI(6) and SI(46), reflecting variations in blood volume and %HbO(2), respectively) from the tibialis anterior (TA) and extensor digitorum longus (EDL) muscles were characterized with the post-contraction change in SI and the time-to-peak SI (DeltaSI and TTP, respectively). DeltaSI(6) following an MVC was 36% higher than that obtained after a 50% MVC (p = 0.048). For DeltaSI(6), the highest intraclass correlation coefficients (ICCs) were observed for the TA muscle in the 50% MVC and MVC conditions, with values of 0.83 (p = 0.01) and 0.88 (p = 0.005), respectively. Bland-Altman plots revealed repeatability coefficients (RCs) for the 50% MVC and MVC conditions in the TA muscle of 1.9 and 1.4, respectively. The most repeatable measures for DeltaSI(46) were obtained for the 50% MVC and MVC conditions in the EDL muscle (p = 0.01 and p = 0.04, respectively). Bland-Altman plots revealed RC's for 50% MVC and MVC conditions in the EDL muscle of 3.9 and 5.7, respectively. DeltaSI(6) and DeltaSI(46) increased as a function of the contraction intensity. The repeatability of the method depends on the muscle and contraction condition being evaluated, and in general, is higher following an MVC. 2009 John Wiley & Sons, Ltd.

  10. Repeatability of a Dual Gradient-Recalled Echo MRI Method for Monitoring Post-Isometric Contraction Blood Volume and Oxygenation Changes

    PubMed Central

    Sanchez, O.A.; Louie, E.A.; Copenhaver, E.A.; Damon, B.M.

    2015-01-01

    The purpose of this study was to assess the repeatability of a dual gradient-recalled echo (GRE) muscle functional MRI technique. On two days, subjects (n=8) performed 10 s isometric dorsiflexion contractions under conditions of: 1) maximal voluntary contraction (MVC), 2) 50% MVC (50%MVC) or 3) 50% MVC with concurrent proximal arterial cuff occlusion (50%MVCcuff). Functional MRI data were acquired using single-slice dual GRE (TR/TE=1000/6, 46 ms) EPI for 20 seconds before, during, and for 180 seconds after each contraction. The mean signal intensity (SI) time courses at each TE (SI6 and SI46, reflecting variations in blood volume and %HbO2, respectively) from the tibialis anterior (TA) and extensor digitorum (EDL) muscles were characterized with the post-contraction change in SI and the time to peak SI (ΔSI and TTP, respectively). ΔSI6 and ΔSI46 were 36% and 31% higher following an MVC than after a 50%MVC (p = 0.05 and p = 0.07 respectively). For ΔSI6 the highest intraclass correlation coefficients (ICC) were observed for the TA muscle at the 50%MVC and MVC condition, with values of 0.83 (p = 0.01) and 0.88 (p = 0.005), respectively. Bland-Altman plots revealed repeatability coefficients (RC) for the 50%MVC and MVC conditions in the TA muscle of 1.9 and 1.4, respectively. The most repeatable measures for ΔSI46 were obtained for the 50%MVC and MVC conditions in the EDL muscle (p = 0.01 and p = 0.04, respectively). Bland-Altman plots revealed RC’s for 50%MVC and MVC conditions in the EDL muscle of 3.9 and 5.7, respectively. ΔSI6 and ΔSI46 increased as a function of contraction intensity. The repeatability of the method depends on the muscle and contraction condition being evaluated, and in general, is higher following an MVC. PMID:19382156

  11. Testing the limits of gradient sensing

    PubMed Central

    Lakhani, Vinal

    2017-01-01

    The ability to detect a chemical gradient is fundamental to many cellular processes. In multicellular organisms gradient sensing plays an important role in many physiological processes such as wound healing and development. Unicellular organisms use gradient sensing to move (chemotaxis) or grow (chemotropism) towards a favorable environment. Some cells are capable of detecting extremely shallow gradients, even in the presence of significant molecular-level noise. For example, yeast have been reported to detect pheromone gradients as shallow as 0.1 nM/μm. Noise reduction mechanisms, such as time-averaging and the internalization of pheromone molecules, have been proposed to explain how yeast cells filter fluctuations and detect shallow gradients. Here, we use a Particle-Based Reaction-Diffusion model of ligand-receptor dynamics to test the effectiveness of these mechanisms and to determine the limits of gradient sensing. In particular, we develop novel simulation methods for establishing chemical gradients that not only allow us to study gradient sensing under steady-state conditions, but also take into account transient effects as the gradient forms. Based on reported measurements of reaction rates, our results indicate neither time-averaging nor receptor endocytosis significantly improves the cell’s accuracy in detecting gradients over time scales associated with the initiation of polarized growth. Additionally, our results demonstrate the physical barrier of the cell membrane sharpens chemical gradients across the cell. While our studies are motivated by the mating response of yeast, we believe our results and simulation methods will find applications in many different contexts. PMID:28207738

  12. [Comparison of the classification of pulmonary hypertension due to left heart disease according to transpulmonary pressure gradient or diastolic pressure difference methods].

    PubMed

    Zhang, Hao; Zhang, Haifeng; Sun, Wei; Sheng, Yanhui; Yang, Rong; Xu, Dongjie; Zhou, Fang; Xu, Ying; Zhou, Yanli; Kong, Xiangqing; Li, Xinli

    2015-09-01

    To compare the features of patients with pulmonary hypertension due to left heart disease classified according to transpulmonary gradient (TGP) or diastolic pressure difference (DPD). Thirty-three patients with pulmonary hypertension due to left heart disease diagnosed by right heart catheterization were enrolled. Patients were divided into two groups according to TPG: 17 patients with TPG ≤ 12 mmHg (1 mmHg = 0.133 kPa) and 16 patients with TPG > 12 mmHg; or divided into two groups according to DPD: 23 patients with DPD < 7 mmHg and 10 patients with DPD ≥ 7 mmHg. McNemar's method was used to test the agreement of the two classification methods. Below are the patients features according to the classification by TPG: central venous pressure ((9.0 ± 2.5) vs. (12.7 ± 5.4) mmHg), mean right atria pressure ((9.1 ± 2.4) vs. (12.8 ± 5.2) mmHg), right heart systolic pressure ((45.5 ± 9.8) vs. (66.8 ± 15.4) mmHg), right heart mean pressure ((22.6 ± 5.2) vs. (33.1 ± 7.5) mmHg), pulmonary systolic pressure ((44.2 ± 10.3) vs. (64.8 ± 14.2) mmHg), pulmonary diastolic pressure ((24.2 ± 4.5) vs. (33.1 ± 8.3) mmHg), pulmonary mean pressure ((32.3 ± 5.7) vs. (45.8 ± 8.6) mmHg), cardiac index ((2.6 ± 1.0) vs. (1.9 ± 0.9) L · min(-1) · m(-2)), right heart EF ((31.2 ± 12.6)% vs. (22.6 ± 7.1) %) and pulmonary vascular resistance ((2.3 ± 0.8) vs. (6.3 ± 2.6) Wood) were significantly different between the two groups (all P < 0.05). According to the classification of DPD, only right heart diastolic pressure ((7.4 ± 3.7) vs. (11.5 ± 5.7) mmHg), pulmonary diastolic pressure ((25.9 ± 6.4) vs. (34.7 ± 8.0) mmHg) and pulmonary vascular resistance ((3.3 ± 2.0) vs. (6.2 ± 3.4) Wood) were significantly different between the two groups (all P < 0.05). These was a weak agreement (κ = 0.386 6, 95% CI: 0.092 2-0.681 0) between the two classification methods. TPG classification is superior to DPD classification for pulmonary hypertension patients due to left heart

  13. Programming the gradient projection algorithm

    NASA Technical Reports Server (NTRS)

    Hargrove, A.

    1983-01-01

    The gradient projection method of numerical optimization which is applied to problems having linear constraints but nonlinear objective functions is described and analyzed. The algorithm is found to be efficient and thorough for small systems, but requires the addition of auxiliary methods and programming for large scale systems with severe nonlinearities. In order to verify the theoretical results a digital computer is used to simulate the algorithm.

  14. Highly efficient organic solar cells with improved vertical donor-acceptor compositional gradient via an inverted off-center spinning method

    SciTech Connect

    Huang, Jiang; Carpenter, Joshua H.; Li, Chang -Zhi; Yu, Jun -Sheng; Ade, Harald; Jen, Alex K. -Y.

    2015-12-02

    A novel, yet simple solution fabrication technique to address the trade-off between photocurrent and fill factor in thick bulk heterojunction organic solar cells is described. Lastly, the inverted off-center spinning technique promotes a vertical gradient of the donor–acceptor phase-separated morphology, enabling devices with near 100% internal quantum efficiency and a high power conversion efficiency of 10.95%.

  15. Highly Efficient Organic Solar Cells with Improved Vertical Donor-Acceptor Compositional Gradient Via an Inverted Off-Center Spinning Method.

    PubMed

    Huang, Jiang; Carpenter, Joshua H; Li, Chang-Zhi; Yu, Jun-Sheng; Ade, Harald; Jen, Alex K-Y

    2016-02-03

    A novel, yet simple solution fabrication technique to address the trade-off between photocurrent and fill factor in thick bulk heterojunction organic solar cells is described. The inverted off-center spinning technique promotes a vertical gradient of the donor-acceptor phase-separated morphology, enabling devices with near 100% internal quantum efficiency and a high power conversion efficiency of 10.95%. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Changes in the composition and structure of Mediterranean rocky-shore communities following a gradient of nutrient enrichment: descriptive study and test of proposed methods to assess water quality regarding macroalgae.

    PubMed

    Arévalo, Raquel; Pinedo, Susana; Ballesteros, Enric

    2007-01-01

    Changes in the species composition and structure of Mediterranean macroalgal-dominated communities from the upper sublittoral zone are described along a gradient of nutrient enrichment coming from a urban sewage outfall. Ulva-dominated communities only appear close to the sewage outfall. Corallina-dominated communities replace ulvacean algae at intermediate levels of nutrient enrichment. Cystoseira-dominated communities thrive in the reference site but already appear at nutrient levels that are threefold higher than those reported from unpolluted sites. Assemblage variability of Cystoseira-dominated communities decreases along the gradient of nutrient enrichment. Methods based on the functional-form groups of macroalgae to assess the water quality provide equivocal results at intermediate levels of nutrient enrichment because species belonging to the same group can display a completely different response to pollution. Alternatively, methods based on indicator species showed correlated evidence among species abundances and pollution levels and seem to have better performances in water quality assessment.

  17. Cu and Zn concentration gradients created by dilution of pH neutral metal-spiked marine sediment: a comparison of sediment geochemistry with direct methods of metal addition.

    PubMed

    Hutchins, Colin M; Teasdale, Peter R; Lee, Shing Yip; Simpson, Stuart L

    2008-04-15

    The geochemistry of artificially metal contaminated sediments prepared using three methods of metal-spiking was compared in this study. Marine sediments with a gradient of Cu and Zn concentrations were prepared by direct-spiking without and with pH-adjustment to pH 7, and also by serial dilution of direct-spiked sediment (4000 microg g(-1), pH 7 adjusted) with uncontaminated sediment. Porewater concentrations of Cu, Zn, Fe, and Mn in direct-spiked sediments without pH adjustment were orders of magnitude higher than the equivalent sediments adjusted to pH 7 or those prepared by the serial dilution method. Despite pH-adjustment, porewater Cu and Zn concentrations of direct-spiked sediment remained higher than concentrations observed within metal-contaminated natural sediment. The serial dilution of metal-spiked, pH-adjusted sediment substantially decreased Cu and Zn partitioning to the dissolved phase, and minimized the variation of potential competitive ions (H+, Fe2+, Mn2+) over the entire gradient of spiked Cu and Zn concentrations. Metal concentration gradients created using serial dilution of Cu- and Zn-spiked, pH-adjusted sediments produced porewater Cu or Zn, Fe, and Mn concentrations that resemble sediment-porewater partitioning (Cu, Zn, Fe, Mn) typical of metal-contaminated natural sediments. This method is recommended for whole-sediment toxicology studies.

  18. Vibrational coordinates and their gradients: A geometric algebra approach

    NASA Astrophysics Data System (ADS)

    Pesonen, Janne

    2000-02-01

    The gradients of vibrational coordinates are needed in order to form the exact vibrational kinetic energy operator of a polyatomic molecule. The conventional methods used to obtain these gradients are often quite laborious. However, by the methods of geometric algebra, the gradients for any vibrational coordinate can be easily calculated. Examples are given, and special attention is directed to ring coordinates.

  19. Gradient Driven Fluctuations

    NASA Technical Reports Server (NTRS)

    Cannell, David

    2005-01-01

    We have worked with our collaborators at the University of Milan (Professor Marzio Giglio and his group-supported by ASI) to define the science required to measure gradient driven fluctuations in the microgravity environment. Such a study would provide an accurate test of the extent to which the theory of fluctuating hydrodynamics can be used to predict the properties of fluids maintained in a stressed, non-equilibrium state. As mentioned above, the results should also provide direct visual insight into the behavior of a variety of fluid systems containing gradients or interfaces, when placed in the microgravity environment. With support from the current grant, we have identified three key systems for detailed investigation. These three systems are: 1) A single-component fluid to be studied in the presence of a temperature gradient; 2) A mixture of two organic liquids to be studied both in the presence of a temperature gradient, which induces a steady-state concentration gradient, and with the temperature gradient removed, but while the concentration gradient is dying by means of diffusion; 3) Various pairs of liquids undergoing free diffusion, including a proteidbuffer solution and pairs of mixtures having different concentrations, to allow us to vary the differences in fluid properties in a controlled manner.

  20. Momentum-weighted conjugate gradient descent algorithm for gradient coil optimization.

    PubMed

    Lu, Hanbing; Jesmanowicz, Andrzej; Li, Shi-Jiang; Hyde, James S

    2004-01-01

    MRI gradient coil design is a type of nonlinear constrained optimization. A practical problem in transverse gradient coil design using the conjugate gradient descent (CGD) method is that wire elements move at different rates along orthogonal directions (r, phi, z), and tend to cross, breaking the constraints. A momentum-weighted conjugate gradient descent (MW-CGD) method is presented to overcome this problem. This method takes advantage of the efficiency of the CGD method combined with momentum weighting, which is also an intrinsic property of the Levenberg-Marquardt algorithm, to adjust step sizes along the three orthogonal directions. A water-cooled, 12.8 cm inner diameter, three axis torque-balanced gradient coil for rat imaging was developed based on this method, with an efficiency of 2.13, 2.08, and 4.12 mT.m(-1).A(-1) along X, Y, and Z, respectively. Experimental data demonstrate that this method can improve efficiency by 40% and field uniformity by 27%. This method has also been applied to the design of a gradient coil for the human brain, employing remote current return paths. The benefits of this design include improved gradient field uniformity and efficiency, with a shorter length than gradient coil designs using coaxial return paths.

  1. Implementation of analytical gradients and of a mixed real and momentum space DVR method for excess electron systems described by a self-consistent polarization model

    NASA Astrophysics Data System (ADS)

    Choi, Tae Hoon; Vazhappilly, Tijo; Jordan, Kenneth D.

    2017-10-01

    This work presents two extensions of our self-consistent polarization model for treating non-valence excess electron systems. The first extension is the implementation of analytical gradients, and the second extension is the implementation of a mixed real space plus momentum space approach combined with fast Fourier transforms to reduce the computational time compared to a purely real space discrete variable representation approach. The performance of the new algorithms is assessed in calculations of the excess electron states of various size water clusters and of the non-valence correlation-bound anion of the C240 fullerene.

  2. High Gradient Induction Cell

    SciTech Connect

    Caporaso, G J

    2004-11-29

    A concept being developed for high current electron beams may have application to HEDP and is described here. It involves the use of planar Blumlein stacks placed inside an induction cell. The output end of the Blumlein stack is applied across a high gradient insulator (HGI). These insulators have been used successfully in the presence of kilo Ampere-level electron beam currents for tens of nanoseconds at gradients of 20 MV/meter.

  3. Dual fuel gradients in uranium silicide plates

    SciTech Connect

    Pace, B.W.

    1997-08-01

    Babcock & Wilcox has been able to achieve dual gradient plates with good repeatability in small lots of U{sub 3}Si{sub 2} plates. Improvements in homogeneity and other processing parameters and techniques have allowed the development of contoured fuel within the cladding. The most difficult obstacles to overcome have been the ability to evaluate the bidirectional fuel loadings in comparison to the perfect loading model and the different methods of instilling the gradients in the early compact stage. The overriding conclusion is that to control the contour of the fuel, a known relationship between the compact, the frames and final core gradient must exist. Therefore, further development in the creation and control of dual gradients in fuel plates will involve arriving at a plausible gradient requirement and building the correct model between the compact configuration and the final contoured loading requirements.

  4. How two gravity-gradient inversion methods can be used to reveal different geologic features of ore deposit - A case study from the Quadrilátero Ferrífero (Brazil)

    NASA Astrophysics Data System (ADS)

    Carlos, Dionísio U.; Uieda, Leonardo; Barbosa, Valeria C. F.

    2016-07-01

    Airborne gravity gradiometry data have been recently used in mining surveys to map the 3D geometry of ore deposits. This task can be achieved by different gravity-gradient inversion methods, many of which use a voxel-based discretization of the Earth's subsurface. To produce a unique and stable solution, an inversion method introduces particular constraints. One constraining inversion introduces a depth-weighting function in the first-order Tikhonov regularization imposing a smoothing on the density-contrast distributions that are not restricted to near-surface regions. Another gravity-gradient inversion, the method of planting anomalous densities, imposes compactness and sharp boundaries on the density-contrast distributions. We used these two inversion methods to invert the airborne gravity-gradient data over the iron-ore deposit at the southern flank of the Gandarela syncline in Quadrilátero Ferrífero (Brazil). Because these methods differ from each other in the particular constraint used, the estimated 3D density-contrast distributions reveal different geologic features of ore deposit. The depth-weighting smoothing inversion reveals variable dip directions along the strike of the retrieved iron-ore body. The planting anomalous density inversion estimates a compact iron-ore mass with a single density contrast, which reveals a variable volume of the iron ore along its strike increasing towards the hinge zone of the Gandarela syncline which is the zone of maximum compression. The combination of the geologic features inferred from each estimate leads to a synergistic effect, revealing that the iron-ore deposit is strongly controlled by the Gandarela syncline.

  5. Design of Gradient Index Optical Thin Films

    NASA Astrophysics Data System (ADS)

    Druessel, Jeffrey J.

    Gradient index thin films provide greater flexibility for the design of optical coatings than the more conventional "layer" films. In addition, gradient index films have higher damage thresholds and better adhesion properties. In this dissertation I present an enhancement to the existing inverse Fourier transform gradient index design method, and develop a new optimal design method for gradient index films using a generalized Fourier series approach. The inverse Fourier transform method is modified to include use of the phase of the index profile as a variable in rugate filter design. Use of an optimal phase function in Fourier-based filter designs reduces the product of index contrast and thickness for desired reflectance spectra. The shape of the reflectance spectrum is recovered with greater fidelity by suppression of Gibbs oscillations and shifting of side-lobes into desired wavelength regions. A new method of gradient index thin film design using generalized Fourier series extends the domain of problems for which gradient index solutions can be found. The method is analogous to existing techniques for layer based coating design, but adds the flexibility of gradient index films. A subset of the coefficients of a generalized Fourier series representation of the gradient index of refraction profile are used as variables in a nonlinear constrained optimization formulation. The optimal values of the design coefficients are determined using a sequential quadratic programming algorithm. This method is particularly well suited for the design of coatings for laser applications, where only a few widely separated wavelength requirements exist. The generalized Fourier series method is extended to determine the minimum film thickness needed, as well as the index of refraction profile for the optimal film.

  6. A Method for Computing Turbulent Heat Transfer in the Presence of a Streamwise Pressure Gradient for Bodies in High-Speed Flow

    NASA Technical Reports Server (NTRS)

    Cohen, Nathaniel B.

    1959-01-01

    A modified Reynolds analogy between skin friction and heat transfer which depends upon local pressure gradient is derived. Exact and approximate solutions are derived from the differential equations; the exact solution is applicable for arbitrary initial (transition) conditions and the approximate solution requires fully developed turbulent flow from stagnation point or leading edge. The exact solution (restricted to stagnation initial conditions) and the approximate solutions are shown to agree with one another within 5 percent when applied to several blunt shapes. The present solutions generally predict the measured heating rates on these bodies within the accuracy of the measurements provided transition began upstream of the peak heating region. The present solutions appear to be sufficiently accurate for design purposes.

  7. High Gradient Accelerator Research

    SciTech Connect

    Temkin, Richard

    2016-07-12

    The goal of the MIT program of research on high gradient acceleration is the development of advanced acceleration concepts that lead to a practical and affordable next generation linear collider at the TeV energy level. Other applications, which are more near-term, include accelerators for materials processing; medicine; defense; mining; security; and inspection. The specific goals of the MIT program are: • Pioneering theoretical research on advanced structures for high gradient acceleration, including photonic structures and metamaterial structures; evaluation of the wakefields in these advanced structures • Experimental research to demonstrate the properties of advanced structures both in low-power microwave cold test and high-power, high-gradient test at megawatt power levels • Experimental research on microwave breakdown at high gradient including studies of breakdown phenomena induced by RF electric fields and RF magnetic fields; development of new diagnostics of the breakdown process • Theoretical research on the physics and engineering features of RF vacuum breakdown • Maintaining and improving the Haimson / MIT 17 GHz accelerator, the highest frequency operational accelerator in the world, a unique facility for accelerator research • Providing the Haimson / MIT 17 GHz accelerator facility as a facility for outside users • Active participation in the US DOE program of High Gradient Collaboration, including joint work with SLAC and with Los Alamos National Laboratory; participation of MIT students in research at the national laboratories • Training the next generation of Ph. D. students in the field of accelerator physics.

  8. Flow field thermal gradient gas chromatography.

    PubMed

    Boeker, Peter; Leppert, Jan

    2015-09-01

    Negative temperature gradients along the gas chromatographic separation column can maximize the separation capabilities for gas chromatography by peak focusing and also lead to lower elution temperatures. Unfortunately, so far a smooth thermal gradient over a several meters long separation column could only be realized by costly and complicated manual setups. Here we describe a simple, yet flexible method for the generation of negative thermal gradients using standard and easily exchangeable separation columns. The measurements made with a first prototype reveal promising new properties of the optimized separation process. The negative thermal gradient and the superposition of temperature programming result in a quasi-parallel separation of components each moving simultaneously near their lowered specific equilibrium temperatures through the column. Therefore, this gradient separation process is better suited for thermally labile molecules such as explosives and natural or aroma components. High-temperature GC methods also benefit from reduced elution temperatures. Even for short columns very high peak capacities can be obtained. In addition, the gradient separation is particularly beneficial for very fast separations below 1 min overall retention time. Very fast measurements of explosives prove the benefits of using negative thermal gradients. The new concept can greatly reduce the cycle time of high-resolution gas chromatography and can be integrated into hyphenated or comprehensive gas chromatography setups.

  9. A chemometric-assisted method for the simultaneous determination of malachite green and crystal violet in water based on absorbance-pH data generated by a homemade pH gradient apparatus.

    PubMed

    Yu, Shuling; Yuan, Xuejie; Yang, Jing; Yuan, Jintao; Shi, Jiahua; Wang, Yali; Chen, Yuewen; Gao, Shufang

    2015-01-01

    An attractive method of generating second-order data was developed by a dropping technique to generate pH gradient simultaneously coupled with diode-array spectrophotometer scanning. A homemade apparatus designed for the pH gradient. The method and the homemade apparatus were used to simultaneously determine malachite green (MG) and crystal violet (CV) in water samples. The absorbance-pH second-order data of MG or CV were obtained from the spectra of MG or CV in a series of pH values of HCl-KCl solution. The second-order data of mixtures containing MG and CV that coexisted with interferents were analyzed using multidimensional partial least-squares with residual bilinearization. The method and homemade apparatus were used to simultaneously determine MG and CV in fish farming water samples and in river ones with satisfactory results. The presented method and the homemade apparatus could serve as an alternative tool to handle some analysis problems.

  10. Regularized Multitask Learning for Multidimensional Log-Density Gradient Estimation.

    PubMed

    Yamane, Ikko; Sasaki, Hiroaki; Sugiyama, Masashi

    2016-07-01

    Log-density gradient estimation is a fundamental statistical problem and possesses various practical applications such as clustering and measuring nongaussianity. A naive two-step approach of first estimating the density and then taking its log gradient is unreliable because an accurate density estimate does not necessarily lead to an accurate log-density gradient estimate. To cope with this problem, a method to directly estimate the log-density gradient without density estimation has been explored and demonstrated to work much better than the two-step method. The objective of this letter is to improve the performance of this direct method in multidimensional cases. Our idea is to regard the problem of log-density gradient estimation in each dimension as a task and apply regularized multitask learning to the direct log-density gradient estimator. We experimentally demonstrate the usefulness of the proposed multitask method in log-density gradient estimation and mode-seeking clustering.

  11. High-level multireference methods in the quantum-chemistry program system COLUMBUS : analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI, and parallel CI density.

    SciTech Connect

    Lischka, H.; Shepard, R.; Pitzer, R. M.; Shavitt, I.; Dallos, M.; Muller, T.; Szalay, P. G.; Seth, M.; Kedziora, G. S.; Yabushita, S.; Zhang, Z.; Chemistry; Univ. of Vienna; Ohio State Univ.; Univ. of Illinois; Eotvos Lorand Univ.; Univ. of Calgary; Northwestern Univ.; Keio Univ.; PNNL

    2001-01-01

    Development of several new computational approaches within the framework of multi-reference ab initio molecular electronic structure methodology and their implementation in the COLUMBUS program system are reported. These new features are: calculation of the analytical MR-CI gradient for excited states based on state-averaged MCSCF orbitals, the extension of the MR-ACPF/AQCC methods to excited states in the framework of linear-response theory, spin-orbit CI for molecules containing heavy atoms and the development of a massively-parallel code for the computation of the one- and two-particle density matrix elements. Illustrative examples are given for each of these cases.

  12. High gradient electron guns

    SciTech Connect

    Fant, K.S.; Caryotakis, G.; Koontz, R.F.; Vlieks, A.E. ); Miram, G. , Atherton, CA )

    1990-08-01

    Experiments have been conducted to determine peak operating gradients attainable in thermionic electron guns. These tests are part of a study of high-current-density, long-life cathodes suitable for use in high power klystrons. We also investigated the use of chromium oxide coating as a means of inhibiting electronic breakdown across the focus electrode anode gap. Field gradients in excess of 280 kV/cm have been achieved for a gun operating at 240 kV with a beam current of 228 A, at pulse widths of the order of 1 {mu}s. 3 refs., 5 figs.

  13. HIGH GRADIENT INDUCTION ACCELERATOR

    SciTech Connect

    Caporaso, G J; Sampayan, S; Chen, Y; Blackfield, D; Harris, J; Hawkins, S; Holmes, C; Krogh, M; Nelson, S; Nunnally, W; Paul, A; Poole, B; Rhodes, M; Sanders, D; Selenes, K; Sullivan, J; Wang, L; Watson, J

    2007-06-21

    A new type of compact induction accelerator is under development at the Lawrence Livermore National Laboratory that promises to increase the average accelerating gradient by at least an order of magnitude over that of existing induction machines. The machine is based on the use of high gradient vacuum insulators, advanced dielectric materials and switches and is stimulated by the desire for compact flash x-ray radiography sources. Research describing an extreme variant of this technology aimed at proton therapy for cancer will be described. Progress in applying this technology to several applications will be reviewed.

  14. Novel Speciation Method Based on Diffusive Gradients in Thin-Films for in Situ Measurement of Cr(VI) in Aquatic Systems.

    PubMed

    Pan, Yue; Guan, Dong-Xing; Zhao, Di; Luo, Jun; Zhang, Hao; Davison, William; Ma, Lena Q

    2015-12-15

    Hexavalent chromium (Cr(VI)) is much more toxic and mobile than the trivalent species (Cr(III)) and consequently, in situ monitoring of Cr(VI) can improve the understanding of Cr biogeochemistry and toxicity in ecosystems. The passive diffusive gradients in thin-films (DGT) technique is a powerful tool for determining metal(loid) speciation, but a binding phase that absorbs only one specific species of Cr is needed. N-Methyl-d-glucamine (NMDG) functional resin was incorporated into the DGT binding phase for selective measurement of Cr(VI). This NMDG-DGT sampler exhibited a theoretically linear accumulation of Cr(VI), with negligible accumulation (<5%) of Cr(III), even after 72 h deployment. The good prediction of Cr(VI) concentration in synthetic freshwater with NMDG-DGT, even in the presence of 10-time more Cr(III), further indicated the sampler's reliability in selective detection of Cr(VI). Moreover, its high capacity for Cr(VI), which exceeded 230 μg cm(-2), facilitates measurement of Cr(VI) in both uncontaminated natural waters and in slightly and heavily contaminated (ppm level) waters. Field deployment of the NMDG-DGT sampler in such waters allowed accurate measurement of time-averaged Cr(VI) concentration, indicating its robustness for in situ measurements of Cr speciation and its potential for further application in the risk assessment of Cr.

  15. Evaluation of MR-induced hot spots for different temporal SAR modes using a time-dependent finite difference method with explicit temperature gradient treatment.

    PubMed

    Nadobny, Jacek; Szimtenings, Michael; Diehl, Dirk; Stetter, Eckart; Brinker, Gerhard; Wust, Peter

    2007-10-01

    An investigation of magnetic resonance (MR)-induced hot spots in a high-resolution human model is performed, motivated by safety aspects for the use of MR tomographs. The human model is placed in an MR whole body resonator that is driven in a quadrature excitation mode. The MR-induced hot spots are studied by varying the following: (1) the temporal specific absorption rate (SAR) mode ("steady imaging", "intermittent imaging"), (2) the simulation procedure (related to given power levels or to limiting temperatures), and (3) different thermal tissue properties including temperature-independent and temperature-dependent perfusion models. Both electromagnetic and thermodynamic simulations have been performed. For the electromagnetic modeling, a commercial finite-integration theory (FIT) code is applied. For the thermodynamic modeling, a time-domain finite-difference (FD) scheme is formulated that uses an explicit treatment of temperature gradient components. This allows a flux-vector-based implementation of heat transfer boundary conditions on cubical faces. It is shown that this FD scheme significantly reduces the staircase errors at thermal boundaries that are locally sloped or curved with respect to the cubical grid elements.

  16. Gradient Refractive Index Lenses.

    ERIC Educational Resources Information Center

    Morton, N.

    1984-01-01

    Describes the nature of gradient refractive index (GRIN) lenses, focusing on refraction in these materials, focal length of a thin Wood lens, and on manufacturing of such lenses. Indicates that GRIN lenses of small cross section are in limited production with applications suggested for optical communication and photocopying fields. (JN)

  17. Manipulating the Gradient

    ERIC Educational Resources Information Center

    Gaze, Eric C.

    2005-01-01

    We introduce a cooperative learning, group lab for a Calculus III course to facilitate comprehension of the gradient vector and directional derivative concepts. The lab is a hands-on experience allowing students to manipulate a tangent plane and empirically measure the effect of partial derivatives on the direction of optimal ascent. (Contains 7…

  18. Gradient Sun [still

    NASA Image and Video Library

    2017-09-27

    To view a video of the Gradient Sun go to: www.flickr.com/photos/gsfc/8103212817 Looking at a particularly beautiful image of the sun helps show how the lines between science and art can sometimes blur. But there is more to the connection between the two disciplines: science and art techniques are often quite similar, indeed one may inform the other or be improved based on lessons from the other arena. One such case is a technique known as a "gradient filter" – recognizable to many people as an option available on a photo-editing program. Gradients are, in fact, a mathematical description that highlights the places of greatest physical change in space. A gradient filter, in turn, enhances places of contrast, making them all the more obviously different, a useful tool when adjusting photos. Scientists, too, use gradient filters to enhance contrast, using them to accentuate fine structures that might otherwise be lost in the background noise. On the sun, for example, scientists wish to study a phenomenon known as coronal loops, which are giant arcs of solar material constrained to travel along that particular path by the magnetic fields in the sun's atmosphere. Observations of the loops, which can be more or less tangled and complex during different phases of the sun's 11-year activity cycle, can help researchers understand what's happening with the sun's complex magnetic fields, fields that can also power great eruptions on the sun such as solar flares or coronal mass ejections. The still here shows an unfiltered image from the sun next to one that has been processed using a gradient filter. Note how the coronal loops are sharp and defined, making them all the more easy to study. On the other hand, gradients also make great art. NASA/Goddard Space Flight Center To download this video go to: svs.gsfc.nasa.gov/goto?11112 NASA image use policy. NASA Goddard Space Flight Center enables NASA’s mission through four scientific endeavors: Earth Science, Heliophysics

  19. JAC2D: A two-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    SciTech Connect

    Biffle, J.H.; Blanford, M.L.

    1994-05-01

    JAC2D is a two-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equations. The method is implemented in a two-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. A four-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic/plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  20. JAC3D -- A three-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    SciTech Connect

    Biffle, J.H.

    1993-02-01

    JAC3D is a three-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equation. The method is implemented in a three-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. An eight-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic-plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  1. Application of PCR-denaturing-gradient gel electrophoresis (DGGE) method to examine microbial community structure in asparagus fields with growth inhibition due to continuous cropping.

    PubMed

    Urashima, Yasufumi; Sonoda, Takahiro; Fujita, Yuko; Uragami, Atsuko

    2012-01-01

    Growth inhibition due to continuous cropping of asparagus is a major problem; the yield of asparagus in replanted fields is low compared to that in new fields, and missing plants occur among young seedlings. Although soil-borne disease and allelochemicals are considered to be involved in this effect, this is still controversial. We aimed to develop a technique for the biological field diagnosis of growth inhibition due to continuous cropping. Therefore, in this study, fungal community structure and Fusarium community structure in continuously cropped fields of asparagus were analyzed by polymerase chain reaction/denaturing-gradient gel electrophoresis (PCR-DGGE). Soil samples were collected from the Aizu region of Fukushima Prefecture, Japan. Soil samples were taken from both continuously cropped fields of asparagus with growth inhibition and healthy neighboring fields of asparagus. The soil samples were collected from the fields of 5 sets in 2008 and 4 sets in 2009. We were able to distinguish between pathogenic and non-pathogenic Fusarium by using Alfie1 and Alfie2GC as the second PCR primers and PCR-DGGE. Fungal community structure was not greatly involved in the growth inhibition of asparagus due to continuous cropping. By contrast, the band ratios of Fusarium oxysporum f. sp. asparagi in growth-inhibited fields were higher than those in neighboring healthy fields. In addition, there was a positive correlation between the band ratios of Fusarium oxysporum f. sp. asparagi and the ratios of missing asparagus plants. We showed the potential of biological field diagnosis of growth inhibition due to continuous cropping of asparagus using PCR-DGGE.

  2. Application of PCR-Denaturing-Gradient Gel Electrophoresis (DGGE) Method to Examine Microbial Community Structure in Asparagus Fields with Growth Inhibition due to Continuous Cropping

    PubMed Central

    Urashima, Yasufumi; Sonoda, Takahiro; Fujita, Yuko; Uragami, Atsuko

    2012-01-01

    Growth inhibition due to continuous cropping of asparagus is a major problem; the yield of asparagus in replanted fields is low compared to that in new fields, and missing plants occur among young seedlings. Although soil-borne disease and allelochemicals are considered to be involved in this effect, this is still controversial. We aimed to develop a technique for the biological field diagnosis of growth inhibition due to continuous cropping. Therefore, in this study, fungal community structure and Fusarium community structure in continuously cropped fields of asparagus were analyzed by polymerase chain reaction/denaturing-gradient gel electrophoresis (PCR-DGGE). Soil samples were collected from the Aizu region of Fukushima Prefecture, Japan. Soil samples were taken from both continuously cropped fields of asparagus with growth inhibition and healthy neighboring fields of asparagus. The soil samples were collected from the fields of 5 sets in 2008 and 4 sets in 2009. We were able to distinguish between pathogenic and non-pathogenic Fusarium by using Alfie1 and Alfie2GC as the second PCR primers and PCR-DGGE. Fungal community structure was not greatly involved in the growth inhibition of asparagus due to continuous cropping. By contrast, the band ratios of Fusarium oxysporum f. sp. asparagi in growth-inhibited fields were higher than those in neighboring healthy fields. In addition, there was a positive correlation between the band ratios of Fusarium oxysporum f. sp. asparagi and the ratios of missing asparagus plants. We showed the potential of biological field diagnosis of growth inhibition due to continuous cropping of asparagus using PCR-DGGE. PMID:22200640

  3. Autonomous pump against concentration gradient

    PubMed Central

    Xu, Zhi-cheng; Zheng, Dong-qin; Ai, Bao-quan; Zhong, Wei-rong

    2016-01-01

    Using non-equilibrium molecular dynamics and Monte Carlo methods, we have studied the molecular transport in asymmetric nanochannels. The efficiency of the molecular pump depends on the angle and apertures of the asymmetric channel, the environmental temperature and average concentration of the particles. The pumping effect can be explained as the competition between the molecular force field and the thermal disturbance. Our results provide a green approach for pumping fluid particles against the concentration gradient through asymmetric nanoscale thin films without any external forces. It indicates that pumping vacuum can be a spontaneous process. PMID:26996204

  4. Continuous spray forming of functionally gradient materials

    SciTech Connect

    McKechnie, T.N.; Richardson, E.H.

    1995-12-01

    Researchers at Plasma Processes Inc. have produced a Functional Gradient Material (FGM) through advanced vacuum plasma spray processing for high heat flux applications. Outlined in this paper are the manufacturing methods used to develop a four component functional gradient material of copper, tungsten, boron, and boron nitride. The FGM was formed with continuous gradients and integral cooling channels eliminating bondlines and providing direct heat transfer from the high temperature exposed surface to a cooling medium. Metallurgical and x-ray diffraction analyses of the materials formed through innovative VPS (vacuum plasma spray) processing are also presented. Applications for this functional gradient structural material range from fusion reactor plasma facing components to missile nose cones to boilers.

  5. A New Standard-Based Polynomial Interpolation (SBPIn) Method to Address Gel-to-Gel Variability for the Comparison of Multiple Denaturing Gradient Gel Electrophoresis Profile Matrices

    PubMed Central

    Valentín-Vargas, Alexis; Chorover, Jon; Maier, Raina M.

    2013-01-01

    The Standard-Based Polynomial Interpolation (SBPIn) method is a new simple three-step protocol proposed to address common gel-to-gel variations for the comparison of sample profiles across multiple DGGE gels. The advantages of this method include no requirement for additional software or modification of the standard DGGE protocol. PMID:23234884

  6. Oxygen Gradients in the Microcirculation

    PubMed Central

    Pittman, Roland N.

    2010-01-01

    Early in the last century August Krogh embarked on a series of seminal studies to understand the connection between tissue metabolism and mechanisms by which the cardiovascular system supplied oxygen to meet those needs. Krogh recognized that oxygen was supplied from blood to the tissues by passive diffusion and that the most likely site for oxygen exchange was the capillary network. Studies of tissue oxygen consumption and diffusion coefficient, coupled with anatomical studies of capillarity in various tissues, led him to formulate a model of oxygen diffusion from a single capillary. Fifty years after the publication of this work, new methods were developed which allowed the direct measurement of oxygen in and around microvessels. These direct measurements have confirmed the predictions by Krogh and have led to extensions of his ideas resulting in our current understanding of oxygenation within the microcirculation. Developments during the last 40 years are reviewed, including studies of oxygen gradients in arterioles, capillaries, venules, microvessel wall and surrounding tissue. These measurements were made possible by the development and use of new methods to investigate oxygen in the microcirculation, so mention is made of oxygen microelectrodes, microspectrophotometry of haemoglobin and phosphorescence quenching microscopy. Our understanding of oxygen transport from the perspective of the microcirculation has gone from a consideration of oxygen gradients in capillaries and tissue to the realization that oxygen has the ability to diffuse from any microvessel to another location under the conditions that there exists a large enough PO2 gradient and that the permeability for oxygen along the intervening pathway is sufficient. PMID:21281453

  7. Bigravity from gradient expansion

    SciTech Connect

    Yamashita, Yasuho; Tanaka, Takahiro

    2016-05-04

    We discuss how the ghost-free bigravity coupled with a single scalar field can be derived from a braneworld setup. We consider DGP two-brane model without radion stabilization. The bulk configuration is solved for given boundary metrics, and it is substituted back into the action to obtain the effective four-dimensional action. In order to obtain the ghost-free bigravity, we consider the gradient expansion in which the brane separation is supposed to be sufficiently small so that two boundary metrics are almost identical. The obtained effective theory is shown to be ghost free as expected, however, the interaction between two gravitons takes the Fierz-Pauli form at the leading order of the gradient expansion, even though we do not use the approximation of linear perturbation. We also find that the radion remains as a scalar field in the four-dimensional effective theory, but its coupling to the metrics is non-trivial.

  8. Stress-gradient plasticity

    PubMed Central

    Chakravarthy, Srinath S.; Curtin, W. A.

    2011-01-01

    A new model, stress-gradient plasticity, is presented that provides unique mechanistic insight into size-dependent phenomena in plasticity. This dislocation-based model predicts strengthening of materials when a gradient in stress acts over dislocation source–obstacle configurations. The model has a physical length scale, the spacing of dislocation obstacles, and is validated by several levels of discrete-dislocation simulations. When incorporated into a continuum viscoplastic model, predictions for bending and torsion in polycrystalline metals show excellent agreement with experiments in the initial strengthening and subsequent hardening as a function of both sample-size dependence and grain size, when the operative obstacle spacing is proportional to the grain size. PMID:21911403

  9. Gradient magnetometer system balloons

    NASA Astrophysics Data System (ADS)

    Korepanov, Valery; Tsvetkov, Yury

    2005-08-01

    Earth's magnetic field study still remains one of the leading edges of experimental geophysics. Thus study is executed on the Earth surface, including ocean bottom, and on satellite heights using component, mostly flux-gate magnetometers. But balloon experiments with component magnetometers are very seldom, first of all because of great complexity of data interpretation. This niche still waits for new experimental ideology, which will allow to get the measurements results with high accuracy, especially in gradient mode. The great importance of precise balloon-borne component magnetic field gradient study is obvious. Its technical realization is based both on the available at the marked high-precision non-magnetic tiltmeters and on recent achievements of flux-gate magnetometry. The scientific goals of balloon-borne magnetic gradiometric experiment are discussed and its practical realization is proposed.

  10. Lightness, illumination, and gradients.

    PubMed

    Todorović, Dejan

    2006-01-01

    The illumination interpretation approach claims that lightness illusions can be explained as misapplications of lightness constancy mechanisms, processes which usually enable veridical extraction of surface reflectance from luminance distributions by discounting illumination. In particular, luminance gradients are thought to provide cues about the interactions of light and surfaces. Several examples of strong lightness illusions are discussed for which explanations based on illumination interpretation can be proposed. In criticisms of this approach, a variety of demonstrations of similarly structured control displays are presented, which involve equivalent lightness effects that cannot readily be accounted for by illumination interpretation mechanisms. Furthermore, a number of known and novel displays are presented that demonstrate effects of gradients on the qualitative appearance of uniform regions. Finally, some simple simulations of neural effects of luminance distributions are discussed.

  11. Gradient Index Lens Research.

    DTIC Science & Technology

    1982-11-25

    over six to nine readings at two to three input polarizations each. The first set of index values is calculated assuming ei = 450 These values are...TECHNICAL REPORT RG-CR-84-2 Sli GRADIENT INDEX LENS RESEARCH Prepared by: Duncan T. Moore The Institute of Optics University of Rochester Rochester...CLASSIFICATION OF THIS PAGE (Miten Data Fntered) READ INSTRUCTIONSREPORT DOCUMENTATION PAGE BEFORE COMPLETING FORM 1. REPORT NU14MU R GOVT ACCESSION No. 3

  12. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method

    NASA Astrophysics Data System (ADS)

    Chen, Zhenhua; Chen, Xun; Wu, Wei

    2013-04-01

    In this paper, by applying the reduced density matrix (RDM) approach for nonorthogonal orbitals developed in the first paper of this series, efficient algorithms for matrix elements between VB structures and energy gradients in valence bond self-consistent field (VBSCF) method were presented. Both algorithms scale only as nm4 for integral transformation and d^2 n_β ^2 for VB matrix elements and 3-RDM evaluation, while the computational costs of other procedures are negligible, where n, m, d, and nβ are the numbers of variable occupied active orbitals, basis functions, determinants, and active β electrons, respectively. Using tensor properties of the energy gradients with respect to the orbital coefficients presented in the first paper of this series, a partial orthogonal auxiliary orbital set was introduced to reduce the computational cost of VBSCF calculation in which orbitals are flexibly defined. Test calculations on the Diels-Alder reaction of butadiene and ethylene have shown that the novel algorithm is very efficient for VBSCF calculations.

  13. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method.

    PubMed

    Chen, Zhenhua; Chen, Xun; Wu, Wei

    2013-04-28

    In this paper, by applying the reduced density matrix (RDM) approach for nonorthogonal orbitals developed in the first paper of this series, efficient algorithms for matrix elements between VB structures and energy gradients in valence bond self-consistent field (VBSCF) method were presented. Both algorithms scale only as nm(4) for integral transformation and d(2)n(β)(2) for VB matrix elements and 3-RDM evaluation, while the computational costs of other procedures are negligible, where n, m, d, and n(β )are the numbers of variable occupied active orbitals, basis functions, determinants, and active β electrons, respectively. Using tensor properties of the energy gradients with respect to the orbital coefficients presented in the first paper of this series, a partial orthogonal auxiliary orbital set was introduced to reduce the computational cost of VBSCF calculation in which orbitals are flexibly defined. Test calculations on the Diels-Alder reaction of butadiene and ethylene have shown that the novel algorithm is very efficient for VBSCF calculations.

  14. Sequential annealing gradient Gamma-Knife radiosurgery optimization

    NASA Astrophysics Data System (ADS)

    Ove, Roger; Popple, Richard

    2003-07-01

    Simulated annealing and gradient methods are commonly employed for inverse planning of radiotherapy delivery schemes. Annealing is effective in finding an approximation of the global solution, suffering from slow late convergence and in some cases poor dose homogeneity. Gradient methods converge well but not necessarily to the global minimum. We explored simulated annealing followed by gradient optimization to improve on either method alone, using radiosurgery as the model system. Simulated annealing and gradient inverse planning programs using the same objective function were adapted for radiosurgical optimization. The objective function chosen is a least-squares dose-matching function, with differential weighting of tissues. A simple test target allowing local minima in the objective function was evaluated. Two hundred trials using the gradient method were done. The gradient method approximated the global solution only 12% of the time, commonly finding a local minimum. The annealing-gradient technique converged to the global minimum in 78 out of 80 trials, more efficiently than annealing alone. Dose homogeneity was improved. In conclusion, sequential annealing-gradient optimization can improve on either method alone. The technique may be extensible to radiotherapy inverse planning in general, with benefit expected for problems characterized by slow gradient method convergence and local minima.

  15. Application of a GC-ECD for measurements of biosphere-atmosphere exchange fluxes of peroxyacetyl nitrate using the relaxed eddy accumulation and gradient method

    NASA Astrophysics Data System (ADS)

    Moravek, A.; Foken, T.; Trebs, I.

    2014-07-01

    Peroxyacetyl nitrate (PAN) may constitute a significant fraction of reactive nitrogen in the atmosphere. Current knowledge about the biosphere-atmosphere exchange of PAN is limited, and only few studies have investigated the deposition of PAN to terrestrial ecosystems. We developed a flux measurement system for the determination of biosphere-atmosphere exchange fluxes of PAN using both the hyperbolic relaxed eddy accumulation (HREA) method and the modified Bowen ratio (MBR) method. The system consists of a modified, commercially available gas chromatograph with electron capture detection (GC-ECD, Meteorologie Consult GmbH, Germany). Sampling was performed by trapping PAN onto two pre-concentration columns; during HREA operation one was used for updraft and one for downdraft events, and during MBR operation the two columns allowed simultaneous sampling at two measurement heights. The performance of the PAN flux measurement system was tested at a natural grassland site, using fast-response ozone (O3) measurements as a proxy for both methods. The measured PAN fluxes were comparatively small (daytime PAN deposition was on average -0.07 nmol m-2 s-1) and, thus, prone to significant uncertainties. A major challenge in the design of the system was the resolution of the small PAN mixing ratio differences. Consequently, the study focuses on the performance of the analytical unit and a detailed analysis of errors contributing to the overall uncertainty. The error of the PAN mixing ratio differences ranged from 4 to 15 ppt during the MBR and between 18 and 26 ppt during the HREA operation, while during daytime measured PAN mixing ratios were of similar magnitude. Choosing optimal settings for both the MBR and HREA method, the study shows that the HREA method did not have a significant advantage towards the MBR method under well-mixed conditions as was expected.

  16. Application of a GC-ECD for measurements of biosphere-atmosphere exchange fluxes of peroxyacetyl nitrate using the relaxed eddy accumulation and gradient method

    NASA Astrophysics Data System (ADS)

    Moravek, A.; Foken, T.; Trebs, I.

    2014-02-01

    Peroxyacetyl nitrate (PAN) may constitute a significant fraction of reactive nitrogen in the atmosphere. Current knowledge about the biosphere-atmosphere exchange of PAN is limited and only few studies have investigated the deposition of PAN to terrestrial ecosystems. We developed a flux measurement system for the determination of biosphere-atmosphere exchange fluxes of PAN using both the hyperbolic relaxed eddy accumulation (HREA) method and the modified Bowen ratio (MBR) method. The system consists of a modified, commercially available gas chromatograph with electron capture detection (GC-ECD, Meteorologie Consult GmbH, Germany). Sampling was performed by trapping PAN onto two pre-concentration columns; during HREA operation one was used for updraft and one for downdraft events and during MBR operation the two columns allowed simultaneous sampling at two measurement heights. The performance of the PAN flux measurement system was tested at a natural grassland site, using fast response ozone (O3) measurements as a proxy for both methods. The measured PAN fluxes were comparatively small (daytime PAN deposition was on average -0.07 nmol m-2 s-1 and, thus, prone to significant uncertainties. A major challenge in the design of the system was the resolution of the small PAN mixing ratio differences. Consequently, the study focuses on the performance of the analytical unit and a detailed analysis of errors contributing to the overall uncertainty. The error of the PAN mixing ratio differences ranged from 4 to 15 ppt during the MBR and between 18 and 26 ppt during the HREA operation, while during daytime measured PAN mixing ratios were of similar magnitude. Choosing optimal settings for both the MBR and HREA method, the study shows that the HREA method did not have a significant advantage towards the MBR method under well mixed conditions as it was expected.

  17. Estimation of PWC gradients over the Kanto Plain using GPS data: Validation and possible meteorological implications

    NASA Astrophysics Data System (ADS)

    Aonashi, Kazumasa; Shoji, Yoshinori; Ichikawa, Ryu-ichi; Hanado, Hiroshi

    2000-11-01

    Simultaneous GPS and water vapor radiometer (WVR) observations were carried out in Tsukuba during May-June 1998, for the validation of precipitable water content (PWC) gradients estimated from single-site GPS data. Slant path PWC observed by WVR were fitted into hourly PWC gradients (WVR gradients) using the least-square method. GPS PWC gradients were retrieved from tropospheric delay gradients that were estimated with GIPSY OASYS 2 package (GIPSY gradients). The results indicate that GIPSY gradients had good, linear correlation with WVR gradients, especially for a large gradient range. Both gradients had spike-shaped, short time-scale (˜ hours) peaks which were mostly associated with synoptic fronts. The GIPSY gradients were also compared with meso-scale PWC gradients calculated from zenith wet delay data of GPS network (NET gradients). The results show that GIPSY gradients did not have very good correlation with NET gradients, and that significant meso-scale discrepancy existed between the two gradients for a cold frontal case on 19 June 1998. One possible reason for this discrepancy is vertical differences in RH gradients, because GIPSY gradients are sensitive to RH gradients around the scale height of humidity (˜2500 m) while RH gradients in lowermost level have largest weights for NET gradients. To study PWC gradients associated with the fronts, GPS gradients were compared with other meteorological data over the Kanto Plain for two frontal cases. The results indicate that large PWC gradient zones with horizontal scale of about several tens kilometers in cross-frontal directions were collocated with the surface wind shear zones of the fronts. This suggests that the large PWC gradients were due to humidity discontinuity around the fronts.

  18. Molecular dynamics investigation of the bimolecular reaction BeH + H(2) --> BeH(2) + H on an ab initio potential-energy surface obtained using neural network methods with both potential and gradient accuracy determination.

    PubMed

    Le, Hung M; Raff, Lionel M

    2010-01-14

    The classical reaction dynamics of a four-body, bimolecular reaction on a neural network (NN) potential-energy surface (PES) fitted to a database obtained solely from ab initio MP2/6-311G(d,p) calculations are reported. The present work represents the first reported application of ab initio NN methods to a four-body, bimolecular, gas-phase reaction where bond extensions reach 8.1 A for the BeH + H(2) --> BeH(2) + H reaction. A modified, iterative novelty sampling method is used to select data points based on classical trajectories computed on temporary NN surfaces. After seven iterations, the sampling process is found to converge after selecting 9604 configurations. Incorporation of symmetry increases this to 19 208 BeH(3) configurations. The analytic PES for the system is obtained from the ensemble average of a five-member (6-60-1) NN committee. The mean absolute error (MAE) for the committee is 0.0046 eV (0.44 kJ mol(-1)). The total energy range of the BeH(3) database is 147.0 kJ mol(-1). Therefore, this MAE represents a percent energy error of 0.30%. Since it is the gradient of the PES that constitutes the most important quantity in molecular dynamics simulations, the paper also reports mean absolute error for the gradient. This result is 0.026 eV A(-1) (2.51 kJ mol(-1) A(-1)). Since the gradient magnitudes span a range of 15.32 eV A(-1) over the configuration space tested, this mean absolute gradient error represents a percent error of 0.17%. The mean percent absolute relative gradient error is 4.67%. The classically computed reaction cross sections generally increase with total energy. They vary from 0.007 to 0.030 A(2) when H(2) is at ground state, and from 0.05 to 0.10 A(2) when H(2) is in the first excited state. Trajectory integration is very fast using the five-member NN PES. The average trajectory integration time is 1.07 s on a CPU with a clock speed of 2.4 GHz. Zero angular momentum collisions are also investigated and compared with previously reported

  19. Method and system using power modulation and velocity modulation producing sputtered thin films with sub-angstrom thickness uniformity or custom thickness gradients

    DOEpatents

    Montcalm, Claude; Folta, James Allen; Walton, Christopher Charles

    2003-12-23

    A method and system for determining a source flux modulation recipe for achieving a selected thickness profile of a film to be deposited (e.g., with highly uniform or highly accurate custom graded thickness) over a flat or curved substrate (such as concave or convex optics) by exposing the substrate to a vapor deposition source operated with time-varying flux distribution as a function of time. Preferably, the source is operated with time-varying power applied thereto during each sweep o