Spherical radial basis functions, theory and applications
Hubbert, Simon; Morton, Tanya M
2015-01-01
This book is the first to be devoted to the theory and applications of spherical (radial) basis functions (SBFs), which is rapidly emerging as one of the most promising techniques for solving problems where approximations are needed on the surface of a sphere. The aim of the book is to provide enough theoretical and practical details for the reader to be able to implement the SBF methods to solve real world problems. The authors stress the close connection between the theory of SBFs and that of the more well-known family of radial basis functions (RBFs), which are well-established tools for solving approximation theory problems on more general domains. The unique solvability of the SBF interpolation method for data fitting problems is established and an in-depth investigation of its accuracy is provided. Two chapters are devoted to partial differential equations (PDEs). One deals with the practical implementation of an SBF-based solution to an elliptic PDE and another which describes an SBF approach for solvi...
Czech Academy of Sciences Publication Activity Database
Bucha, B.; Bezděk, Aleš; Sebera, Josef; Janak, J.
2015-01-01
Roč. 36, č. 6 (2015), s. 773-801 ISSN 0169-3298 R&D Projects: GA ČR GA13-36843S Grant - others:SAV(SK) VEGA 1/0954/15 Institutional support: RVO:67985815 Keywords : spherical radial basis functions * spherical harmonics * geopotential Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 3.622, year: 2015
A hybrid radial basis function-pseudospectral method for thermal convection in a 3-D spherical shell
Wright, G. B.
2010-07-01
A novel hybrid spectral method that combines radial basis function (RBF) and Chebyshev pseudospectral methods in a "2 + 1" approach is presented for numerically simulating thermal convection in a 3-D spherical shell. This is the first study to apply RBFs to a full 3-D physical model in spherical geometry. In addition to being spectrally accurate, RBFs are not defined in terms of any surface-based coordinate system such as spherical coordinates. As a result, when used in the lateral directions, as in this study, they completely circumvent the pole issue with the further advantage that nodes can be "scattered" over the surface of a sphere. In the radial direction, Chebyshev polynomials are used, which are also spectrally accurate and provide the necessary clustering near the boundaries to resolve boundary layers. Applications of this new hybrid methodology are given to the problem of convection in the Earth\\'s mantle, which is modeled by a Boussinesq fluid at infinite Prandtl number. To see whether this numerical technique warrants further investigation, the study limits itself to an isoviscous mantle. Benchmark comparisons are presented with other currently used mantle convection codes for Rayleigh number (Ra) 7 × 10^{3} and 10^{5}. Results from a Ra = 10^{6} simulation are also given. The algorithmic simplicity of the code (mostly due to RBFs) allows it to be written in less than 400 lines of MATLAB and run on a single workstation. We find that our method is very competitive with those currently used in the literature. Copyright 2010 by the American Geophysical Union.
Physics Basis for a Spherical Torus Power Plant
International Nuclear Information System (INIS)
Kessel, C.E.; Menard, J.; Jardin, S.C.; Mau, T.K.
1999-01-01
The spherical torus, or low-aspect-ratio tokamak, is considered as the basis for a fusion power plant. A special class of wall-stabilized high-beta high-bootstrap fraction low-aspect-ratio tokamak equilibrium are analyzed with respect to MHD stability, bootstrap current and external current drive, poloidal field system requirements, power and particle exhaust and plasma operating regime. Overall systems optimization leads to a choice of aspect ratio A = 1:6, plasma elongation kappa = 3:4, and triangularity delta = 0:64. The design value for the plasma toroidal beta is 50%, corresponding to beta N = 7:4, which is 10% below the ideal stability limit. The bootstrap fraction of 99% greatly alleviates the current drive requirements, which are met by tangential neutral beam injection. The design is such that 45% of the thermal power is radiated in the plasma by Bremsstrahlung and trace Krypton, with Neon in the scrapeoff layer radiating the remainder
Investigation of confined hydrogen atom in spherical cavity, using B-splines basis set
Directory of Open Access Journals (Sweden)
M Barezi
2011-03-01
Full Text Available Studying confined quantum systems (CQS is very important in nano technology. One of the basic CQS is a hydrogen atom confined in spherical cavity. In this article, eigenenergies and eigenfunctions of hydrogen atom in spherical cavity are calculated, using linear variational method. B-splines are used as basis functions, which can easily construct the trial wave functions with appropriate boundary conditions. The main characteristics of B-spline are its high localization and its flexibility. Besides, these functions have numerical stability and are able to spend high volume of calculation with good accuracy. The energy levels as function of cavity radius are analyzed. To check the validity and efficiency of the proposed method, extensive convergence test of eigenenergies in different cavity sizes has been carried out.
Integrals of products of spherical functions
International Nuclear Information System (INIS)
Veverka, O.
1975-01-01
Various branches of mathematical physics use integral formulas of the products of spherical functions. In quantum mechanics and in transport theory the integrals ∫sub((4π))dΩ vectorYsub(s)sup(t)(Ω vector)Ysub(l)sup(k)(Ω vector)Ysub(n)sup(m)(Ω vector), ∫sub(-1)sup(1)dμPsub(s)sup(t)(μ)Psub(l)sup(k)(μ)Psub(n)sup(m)(μ), ∫sub(-1)sup(1)dμPsub(s)(μ)Psub(l)(μ)Psub(n)(μ) are generally applied, where Ysub(α)sup(β)(Ω vector) are spherical harmonics, Psub(α)sup(β)(μ) are associated Legendre functions, and Psub(α)(μ) are Legendre polynomials. In the paper, the general procedure of calculating the integrals of the products of any combination of spherical functions is given. The procedure is referred to in a report on the boundary conditions for the cylindrical geometry in neutron transport theory for both the outer and inner cylindrical boundaries. (author)
Spherical Bessel transform via exponential sum approximation of spherical Bessel function
Ikeno, Hidekazu
2018-02-01
A new algorithm for numerical evaluation of spherical Bessel transform is proposed in this paper. In this method, the spherical Bessel function is approximately represented as an exponential sum with complex parameters. This is obtained by expressing an integral representation of spherical Bessel function in complex plane, and discretizing contour integrals along steepest descent paths and a contour path parallel to real axis using numerical quadrature rule with the double-exponential transformation. The number of terms in the expression is reduced using the modified balanced truncation method. The residual part of integrand is also expanded by exponential functions using Prony-like method. The spherical Bessel transform can be evaluated analytically on arbitrary points in half-open interval.
Mixtures of truncated basis functions
DEFF Research Database (Denmark)
Langseth, Helge; Nielsen, Thomas Dyhre; Rumí, Rafael
2012-01-01
In this paper we propose a framework, called mixtures of truncated basis functions (MoTBFs), for representing general hybrid Bayesian networks. The proposed framework generalizes both the mixture of truncated exponentials (MTEs) framework and the mixture of polynomials (MoPs) framework. Similar t...
Pair distribution function and structure factor of spherical particles
International Nuclear Information System (INIS)
Howell, Rafael C.; Proffen, Thomas; Conradson, Steven D.
2006-01-01
The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical treatment of finite size effects within pair distribution refinement procedures is limited. To that end, an envelope function is derived which transforms the pair distribution function of an infinite solid into that of a spherical particle with the same crystal structure. Distributions of particle sizes are then considered, and the associated envelope function is used to predict the particle size distribution of an experimental sample of gold nanoparticles from its pair distribution function alone. Finally, complementing the wealth of existing diffraction analysis, the peak broadening for the structure factor of spherical particles, expressed as a convolution derived from the envelope functions, is calculated exactly for all particle size distributions considered, and peak maxima, offsets, and asymmetries are discussed
A Simple Generator of Forward Scattering Functions on Spherical Dielectrics
Directory of Open Access Journals (Sweden)
O. Fiser
1993-04-01
Full Text Available The described program generates the forward scattering functions of dielectrics of spherical shape, while the input parameters are: frequency, radius of the sphere and complex refractive index. The part enabling to evaluate the complex refractive index of water in the dependence on frequency and temperature is added.
Functional Basis of Microorganism Classification.
Zhu, Chengsheng; Delmont, Tom O; Vogel, Timothy M; Bromberg, Yana
2015-08-01
Correctly identifying nearest "neighbors" of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned with
Functional Basis of Microorganism Classification
Zhu, Chengsheng; Delmont, Tom O.; Vogel, Timothy M.; Bromberg, Yana
2015-01-01
Correctly identifying nearest “neighbors” of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned
Shilin, I. A.; Choi, Junesang
2014-01-01
Computing the matrix elements of the linear operator, which transforms the spherical basis of $SO(3,1)$ -representation space into the hyperbolic basis, very recently, Shilin and Choi (2013) presented an integral formula involving the product of two Legendre functions of the first kind expressed in terms of ${ }_{4}{F}_{3}$ -hypergeometric function and, using the general Mehler-Fock transform, another integral formula for the Legendre function of the first kind. In the sequel, we investigate ...
Efficient molecular density functional theory using generalized spherical harmonics expansions.
Ding, Lu; Levesque, Maximilien; Borgis, Daniel; Belloni, Luc
2017-09-07
We show that generalized spherical harmonics are well suited for representing the space and orientation molecular density in the resolution of the molecular density functional theory. We consider the common system made of a rigid solute of arbitrary complexity immersed in a molecular solvent, both represented by molecules with interacting atomic sites and classical force fields. The molecular solvent density ρ(r,Ω) around the solute is a function of the position r≡(x,y,z) and of the three Euler angles Ω≡(θ,ϕ,ψ) describing the solvent orientation. The standard density functional, equivalent to the hypernetted-chain closure for the solute-solvent correlations in the liquid theory, is minimized with respect to ρ(r,Ω). The up-to-now very expensive angular convolution products are advantageously replaced by simple products between projections onto generalized spherical harmonics. The dramatic gain in speed of resolution enables to explore in a systematic way molecular solutes of up to nanometric sizes in arbitrary solvents and to calculate their solvation free energy and associated microscopic solvent structure in at most a few minutes. We finally illustrate the formalism by tackling the solvation of molecules of various complexities in water.
On the spherical harmonic expansion of the neutron angular distribution function
Energy Technology Data Exchange (ETDEWEB)
Depken, Sven
1959-03-15
The neutron (one-velocity) angular distribution function is expanded in terms of spherical harmonic tensors. The solution to the equations of the moments is given explicitly and the result is applied to the plane, spherical and cylinder symmetrical cases.
On the spherical harmonic expansion of the neutron angular distribution function
International Nuclear Information System (INIS)
Depken, Sven
1959-03-01
The neutron (one-velocity) angular distribution function is expanded in terms of spherical harmonic tensors. The solution to the equations of the moments is given explicitly and the result is applied to the plane, spherical and cylinder symmetrical cases
Loris, Ignace; Simons, Frederik J.; Daubechies, Ingrid; Nolet, Guust; Fornasier, Massimo; Vetter, Philip; Judd, Stephen; Voronin, Sergey; Vonesch, Cédric; Charléty, Jean
2010-05-01
Global seismic wavespeed models are routinely parameterized in terms of spherical harmonics, networks of tetrahedral nodes, rectangular voxels, or spherical splines. Up to now, Earth model parametrizations by wavelets on the three-dimensional ball remain uncommon. Here we propose such a procedure with the following three goals in mind: (1) The multiresolution character of a wavelet basis allows for the models to be represented with an effective spatial resolution that varies as a function of position within the Earth. (2) This property can be used to great advantage in the regularization of seismic inversion schemes by seeking the most sparse solution vector, in wavelet space, through iterative minimization of a combination of the ℓ2 (to fit the data) and ℓ1 norms (to promote sparsity in wavelet space). (3) With the continuing increase in high-quality seismic data, our focus is also on numerical efficiency and the ability to use parallel computing in reconstructing the model. In this presentation we propose a new wavelet basis to take advantage of these three properties. To form the numerical grid we begin with a surface tesselation known as the 'cubed sphere', a construction popular in fluid dynamics and computational seismology, coupled with an semi-regular radial subdivison that honors the major seismic discontinuities between the core-mantle boundary and the surface. This mapping first divides the volume of the mantle into six portions. In each 'chunk' two angular and one radial variable are used for parametrization. In the new variables standard 'cartesian' algorithms can more easily be used to perform the wavelet transform (or other common transforms). Edges between chunks are handled by special boundary filters. We highlight the benefits of this construction and use it to analyze the information present in several published seismic compressional-wavespeed models of the mantle, paying special attention to the statistics of wavelet and scaling coefficients
Roots of two transcendental equations involving spherical bessel functions
International Nuclear Information System (INIS)
Pexton, R.L.; Steiger, A.D.
1977-01-01
Roots of the transcendental equations j/sub l/(αlambda) y/sub l/(lambda) =j/sub l/(lambda) y/sub l/(αlambda) and [xj/sub l/(x)]'/sub x alphaeta yl-italic/(x)]'/sub x eta/=xj/sub l/(x)]'/sub x eta yl-italic/(x)]'/sub x alphaeta/for the spherical Bessel functions of the first and second kind, j/sub l/(z) and y/sub l/(z), have been computed. The ranges for the parameter α, the order l and the root index n are: α=0.1(0.1)0.7,l=1(1)15,n=1(1)30
The Matlab Radial Basis Function Toolbox
Directory of Open Access Journals (Sweden)
Scott A. Sarra
2017-03-01
Full Text Available Radial Basis Function (RBF methods are important tools for scattered data interpolation and for the solution of Partial Differential Equations in complexly shaped domains. The most straight forward approach used to evaluate the methods involves solving a linear system which is typically poorly conditioned. The Matlab Radial Basis Function toolbox features a regularization method for the ill-conditioned system, extended precision floating point arithmetic, and symmetry exploitation for the purpose of reducing flop counts of the associated numerical linear algebra algorithms.
Doubly stochastic radial basis function methods
Yang, Fenglian; Yan, Liang; Ling, Leevan
2018-06-01
We propose a doubly stochastic radial basis function (DSRBF) method for function recoveries. Instead of a constant, we treat the RBF shape parameters as stochastic variables whose distribution were determined by a stochastic leave-one-out cross validation (LOOCV) estimation. A careful operation count is provided in order to determine the ranges of all the parameters in our methods. The overhead cost for setting up the proposed DSRBF method is O (n2) for function recovery problems with n basis. Numerical experiments confirm that the proposed method not only outperforms constant shape parameter formulation (in terms of accuracy with comparable computational cost) but also the optimal LOOCV formulation (in terms of both accuracy and computational cost).
Learning Methods for Radial Basis Functions Networks
Czech Academy of Sciences Publication Activity Database
Neruda, Roman; Kudová, Petra
2005-01-01
Roč. 21, - (2005), s. 1131-1142 ISSN 0167-739X R&D Projects: GA ČR GP201/03/P163; GA ČR GA201/02/0428 Institutional research plan: CEZ:AV0Z10300504 Keywords : radial basis function networks * hybrid supervised learning * genetic algorithms * benchmarking Subject RIV: BA - General Mathematics Impact factor: 0.555, year: 2005
Fast radial basis functions for engineering applications
Biancolini, Marco Evangelos
2017-01-01
This book presents the first “How To” guide to the use of radial basis functions (RBF). It provides a clear vision of their potential, an overview of ready-for-use computational tools and precise guidelines to implement new engineering applications of RBF. Radial basis functions (RBF) are a mathematical tool mature enough for useful engineering applications. Their mathematical foundation is well established and the tool has proven to be effective in many fields, as the mathematical framework can be adapted in several ways. A candidate application can be faced considering the features of RBF: multidimensional space (including 2D and 3D), numerous radial functions available, global and compact support, interpolation/regression. This great flexibility makes RBF attractive – and their great potential has only been partially discovered. This is because of the difficulty in taking a first step toward RBF as they are not commonly part of engineers’ cultural background, but also due to the numerical complex...
Analyzing correlation functions with tesseral and Cartesian spherical harmonics
International Nuclear Information System (INIS)
Danielewicz, Pawel; Pratt, Scott
2007-01-01
The dependence of interparticle correlations on the orientation of particle relative momentum can yield unique information on the space-time features of emission in reactions with multiparticle final states. In the present paper, the benefits of a representation and analysis of the three-dimensional correlation information in terms of surface spherical harmonics is presented. The harmonics include the standard complex tesseral harmonics and the real Cartesian harmonics. Mathematical properties of the lesser known Cartesian harmonics are illuminated. The physical content of different angular harmonic components in a correlation is described. The resolving power of different final-state effects with regard to determining angular features of emission regions is investigated. The considered final-state effects include identity interference, strong interactions, and Coulomb interactions. The correlation analysis in terms of spherical harmonics is illustrated with the cases of Gaussian and blast-wave sources for proton-charged meson and baryon-baryon pairs
Energy Technology Data Exchange (ETDEWEB)
Hatt, Mathieu; Laurent, Baptiste; Fayad, Hadi; Jaouen, Vincent; Visvikis, Dimitris [LaTIM, INSERM, UMR 1101, IBSAM, UBO, UBL, Brest (France); Cheze Le Rest, Catherine [LaTIM, INSERM, UMR 1101, IBSAM, UBO, UBL, Brest (France); CHU Miletrie, Department of Nuclear Medicine, Poitiers (France)
2018-04-15
Sphericity has been proposed as a parameter for characterizing PET tumour volumes, with complementary prognostic value with respect to SUV and volume in both head and neck cancer and lung cancer. The objective of the present study was to investigate its dependency on tumour delineation and the resulting impact on its prognostic value. Five segmentation methods were considered: two thresholds (40% and 50% of SUV{sub max}), ant colony optimization, fuzzy locally adaptive Bayesian (FLAB), and gradient-aided region-based active contour. The accuracy of each method in extracting sphericity was evaluated using a dataset of 176 simulated, phantom and clinical PET images of tumours with associated ground truth. The prognostic value of sphericity and its complementary value with respect to volume for each segmentation method was evaluated in a cohort of 87 patients with stage II/III lung cancer. Volume and associated sphericity values were dependent on the segmentation method. The correlation between segmentation accuracy and sphericity error was moderate (ρ from 0.24 to 0.57). The accuracy in measuring sphericity was not dependent on volume (ρ < 0.4). In the patients with lung cancer, sphericity had prognostic value, although lower than that of volume, except for that derived using FLAB for which when combined with volume showed a small improvement over volume alone (hazard ratio 2.67, compared with 2.5). Substantial differences in patient prognosis stratification were observed depending on the segmentation method used. Tumour functional sphericity was found to be dependent on the segmentation method, although the accuracy in retrieving the true sphericity was not dependent on tumour volume. In addition, even accurate segmentation can lead to an inaccurate sphericity value, and vice versa. Sphericity had similar or lower prognostic value than volume alone in the patients with lung cancer, except when determined using the FLAB method for which there was a small
Controlled drug release on amine functionalized spherical MCM-41
Energy Technology Data Exchange (ETDEWEB)
Szegedi, Agnes, E-mail: szegedi@chemres.hu [Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, 1025 Budapest, Pusztaszeri ut 59-67 (Hungary); Popova, Margarita; Goshev, Ivan [Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, Sofia (Bulgaria); Klebert, Szilvia [Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, 1025 Budapest, Pusztaszeri ut 59-67 (Hungary); Mihaly, Judit [Institute of Molecular Pharmacology, Research Centre for Natural Sciences, Hungarian Academy of Sciences, 1025 Budapest, Pusztaszeri ut 59-67 (Hungary)
2012-10-15
MCM-41 silica with spherical morphology and small particle sizes (100 nm) was synthesized and modified by post-synthesis method with different amounts of 3-aminopropyltriethoxysilane (APTES). A comparative study of the adsorption and release of a model drug, ibuprofen, was carried out. The modified and drug loaded mesoporous materials were characterized by XRD, TEM, N{sub 2} physisorption, elemental analysis, thermal analysis and FT-IR spectroscopy. A new method was developed for the quantitative determination of amino groups in surface modified mesoporous materials by the ninhydrin reaction. Good correlation was found between the amino content of the MCM-41 materials determined by the ninhydrin method and their ibuprofen adsorption capacity. Amino modification resulted in high degree of ibuprofen loading and slow release rate in comparison to the parent non-modified MCM-41. - Graphical abstract: Determination of surface amino groups by ninhidrin method. Highlights: Black-Right-Pointing-Pointer Spherical MCM-41 modified by different amounts of APTES was studied. Black-Right-Pointing-Pointer Ibuprofen (IBU) adsorption and release characteristics was tested. Black-Right-Pointing-Pointer The ninhydrin reaction was used for the quantitative determination of amino groups. Black-Right-Pointing-Pointer Stoichiometric amount of APTES is enough for totally covering the surface with amino groups. Black-Right-Pointing-Pointer Good correlation was found between the amino content and IBU adsorption capacity.
Controlled drug release on amine functionalized spherical MCM-41
International Nuclear Information System (INIS)
Szegedi, Agnes; Popova, Margarita; Goshev, Ivan; Klébert, Szilvia; Mihály, Judit
2012-01-01
MCM-41 silica with spherical morphology and small particle sizes (100 nm) was synthesized and modified by post-synthesis method with different amounts of 3-aminopropyltriethoxysilane (APTES). A comparative study of the adsorption and release of a model drug, ibuprofen, was carried out. The modified and drug loaded mesoporous materials were characterized by XRD, TEM, N 2 physisorption, elemental analysis, thermal analysis and FT-IR spectroscopy. A new method was developed for the quantitative determination of amino groups in surface modified mesoporous materials by the ninhydrin reaction. Good correlation was found between the amino content of the MCM-41 materials determined by the ninhydrin method and their ibuprofen adsorption capacity. Amino modification resulted in high degree of ibuprofen loading and slow release rate in comparison to the parent non-modified MCM-41. - Graphical abstract: Determination of surface amino groups by ninhidrin method. Highlights: ► Spherical MCM-41 modified by different amounts of APTES was studied. ► Ibuprofen (IBU) adsorption and release characteristics was tested. ► The ninhydrin reaction was used for the quantitative determination of amino groups. ► Stoichiometric amount of APTES is enough for totally covering the surface with amino groups. ► Good correlation was found between the amino content and IBU adsorption capacity.
Gurgiolo, Chris; Vinas, Adolfo F.
2009-01-01
This paper presents a spherical harmonic analysis of the plasma velocity distribution function using high-angular, energy, and time resolution Cluster data obtained from the PEACE spectrometer instrument to demonstrate how this analysis models the particle distribution function and its moments and anisotropies. The results show that spherical harmonic analysis produced a robust physical representation model of the velocity distribution function, resolving the main features of the measured distributions. From the spherical harmonic analysis, a minimum set of nine spectral coefficients was obtained from which the moment (up to the heat flux), anisotropy, and asymmetry calculations of the velocity distribution function were obtained. The spherical harmonic method provides a potentially effective "compression" technique that can be easily carried out onboard a spacecraft to determine the moments and anisotropies of the particle velocity distribution function for any species. These calculations were implemented using three different approaches, namely, the standard traditional integration, the spherical harmonic (SPH) spectral coefficients integration, and the singular value decomposition (SVD) on the spherical harmonic methods. A comparison among the various methods shows that both SPH and SVD approaches provide remarkable agreement with the standard moment integration method.
Hatt, Mathieu; Laurent, Baptiste; Fayad, Hadi; Jaouen, Vincent; Visvikis, Dimitris; Le Rest, Catherine Cheze
2018-04-01
Sphericity has been proposed as a parameter for characterizing PET tumour volumes, with complementary prognostic value with respect to SUV and volume in both head and neck cancer and lung cancer. The objective of the present study was to investigate its dependency on tumour delineation and the resulting impact on its prognostic value. Five segmentation methods were considered: two thresholds (40% and 50% of SUV max ), ant colony optimization, fuzzy locally adaptive Bayesian (FLAB), and gradient-aided region-based active contour. The accuracy of each method in extracting sphericity was evaluated using a dataset of 176 simulated, phantom and clinical PET images of tumours with associated ground truth. The prognostic value of sphericity and its complementary value with respect to volume for each segmentation method was evaluated in a cohort of 87 patients with stage II/III lung cancer. Volume and associated sphericity values were dependent on the segmentation method. The correlation between segmentation accuracy and sphericity error was moderate (|ρ| from 0.24 to 0.57). The accuracy in measuring sphericity was not dependent on volume (|ρ| value, although lower than that of volume, except for that derived using FLAB for which when combined with volume showed a small improvement over volume alone (hazard ratio 2.67, compared with 2.5). Substantial differences in patient prognosis stratification were observed depending on the segmentation method used. Tumour functional sphericity was found to be dependent on the segmentation method, although the accuracy in retrieving the true sphericity was not dependent on tumour volume. In addition, even accurate segmentation can lead to an inaccurate sphericity value, and vice versa. Sphericity had similar or lower prognostic value than volume alone in the patients with lung cancer, except when determined using the FLAB method for which there was a small improvement in stratification when the parameters were combined.
The method of images and Green's function for spherical domains
International Nuclear Information System (INIS)
Gutkin, Eugene; Newton, Paul K
2004-01-01
Motivated by problems in electrostatics and vortex dynamics, we develop two general methods for constructing Green's function for simply connected domains on the surface of the unit sphere. We prove a Riemann mapping theorem showing that such domains can be conformally mapped to the upper hemisphere. We then categorize all domains on the sphere for which Green's function can be constructed by an extension of the classical method of images. We illustrate our methods by several examples, such as the upper hemisphere, geodesic triangles, and latitudinal rectangles. We describe the point vortex motion in these domains, which is governed by a Hamiltonian determined by the Dirichlet Green's function
Spherical Bessel functions jsub(n) and ysub(n) of integer order and real argument
International Nuclear Information System (INIS)
Ardill, R.W.B.; Moriarty, K.J.M.
1978-01-01
The spherical Bessel function appears in a variety of physical applications, and especially in phase shift analysis. The package SPHBES contains a subroutine to calculate jsub(n)(x) and ysub(n)(x) for any integer order n and real argument x. The functions jsub(n)(x) and ysub(n)(x) are produced simultaneously and efficiently. (Auth.)
On the evaluation of the integral over the product of two spherical Bessel functions
International Nuclear Information System (INIS)
Maximon, L.C.
1991-01-01
The integral I l,l' (k,k')=∫ ∞ 0 j l (kr)j l' (k'r)r 2 dr, in which the spherical Bessel functions j l (kr) are the radial eigenfunctions of the three-dimensional wave equation in spherical coordinates, is evaluated in terms of distributions, in particular, step functions and delta functions. It will be shown that the behavior of I l,l' is very different in the cases l-l' even (0, ±2, ±4, ...) and l-l' odd (±1, ±3, ...). For l-l' even it is expressed in terms of the delta function, step functions, and Legendre polynomials. For l-l' odd it is expressed in terms of Legendre functions of the second kind and step functions; no delta functions appear
A genetic basis for functional hypothalamic amenorrhea.
Caronia, L.M.; Martin, C.; Welt, C.K.; Sykiotis, G.P.; Quinton, R.; Thambundit, A.; Avbelj, M.; Dhruvakumar, S.; Plummer, L.; Hughes, V.A.; Seminara, S.B.; Boepple, P.A.; Sidis, Y.; Crowley, W.F.; Martin, K.A.
2011-01-01
Background: Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogon...
A Genetic Basis for Functional Hypothalamic Amenorrhea
Caronia, Lisa M.; Martin, Cecilia; Welt, Corrine K.; Sykiotis, Gerasimos P.; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A.; Seminara, Stephanie B.; Boepple, Paul A.; Sidis, Yisrael; Crowley, William F.; Martin, Kathryn A.; Hall, Janet E.; Pitteloud, Nelly
2011-01-01
BACKGROUND Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. METHODS We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. RESULTS Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kall-mann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. CONCLUSIONS Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.) PMID:21247312
A genetic basis for functional hypothalamic amenorrhea.
Caronia, Lisa M; Martin, Cecilia; Welt, Corrine K; Sykiotis, Gerasimos P; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A; Seminara, Stephanie B; Boepple, Paul A; Sidis, Yisrael; Crowley, William F; Martin, Kathryn A; Hall, Janet E; Pitteloud, Nelly
2011-01-20
Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kallmann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.).
Unified Bessel, Modified Bessel, Spherical Bessel and Bessel-Clifford Functions
Yaşar, Banu Yılmaz; Özarslan, Mehmet Ali
2016-01-01
In the present paper, unification of Bessel, modified Bessel, spherical Bessel and Bessel-Clifford functions via the generalized Pochhammer symbol [ Srivastava HM, Cetinkaya A, K{\\i}ymaz O. A certain generalized Pochhammer symbol and its applications to hypergeometric functions. Applied Mathematics and Computation, 2014, 226 : 484-491] is defined. Several potentially useful properties of the unified family such as generating function, integral representation, Laplace transform and Mellin tran...
A generalization for the infinite integral over three spherical Bessel functions
International Nuclear Information System (INIS)
Mehrem, R; Hohenegger, A
2010-01-01
A new formula is derived that generalizes an earlier result for the infinite integral over three spherical Bessel functions. The analytical result involves a finite sum over associated Legendre functions, P m l (x) of degree l and order m. The sum allows for the values of |m| that are greater than l. A generalization for the associated Legendre functions to allow for any rational m for a specific l is also shown.
Mean spherical model for hard ions and dipoles: Thermodynamics and correlation functions
International Nuclear Information System (INIS)
Vericat, F.; Blum, L.
1980-01-01
The solution of the mean spherical model of a mixture of equal-size hard ions and dipoles is reinvestigated. Simple expressions for the coefficients of the Laplace transform of the pair correlation function and the other thermodynamic properties are given
Using piecewise sinusoidal basis functions to blanket multiple wire segments
CSIR Research Space (South Africa)
Lysko, AA
2009-06-01
Full Text Available This paper discusses application of the piecewise sinusoidal (PWS) basis function (BF) over a chain of several wire segments, for example as a multiple domain basis function. The usage of PWS BF is compared to results based on the piecewise linear...
Functionalized polymer-based spherical activated carbon for liquid and gas phase applications
International Nuclear Information System (INIS)
Schrage, Christian; Modrow, Antje; Fichtner, Sven; Giebelhausen, Jann Michael; Boehringer, Bertram
2014-01-01
Polymer-based spherical activated carbon (PBSAC) can be functionalized through the integration of reactive compounds. This offers new fields of applications for this adsorbent material. Impregnated PBSAC can be used as broadband sorbent material for respiratory protection, and for removal of certain metals from water, while the integration of nitrogen leads to a material suitable for the clean-up of gases. Functionalization through oxidation or integration of nitrogen atoms enables the concentration of valuable resources like uranium or gold.
Mitri, Farid
2014-11-01
The generalized theory of resonance scattering (GTRS) by an elastic spherical target in acoustics is extended to describe the arbitrary scattering of a finite beam using the addition theorem for the spherical wave functions of the first kind under a translation of the coordinate origin. The advantage of the proposed method over the standard discrete spherical harmonics transform previously used in the GTRS formalism is the computation of the off-axial beam-shape coefficients (BSCs) stemming from a closed-form partial-wave series expansion representing the axial BSCs in spherical coordinates. With this general method, the arbitrary acoustical scattering can be evaluated for any particle shape and size, whether the particle is partially or completely illuminated by the incident beam. Numerical examples for the axial and off-axial resonance scattering from an elastic sphere placed arbitrarily in the field of a finite circular piston transducer with uniform vibration are provided. Moreover, the 3-D resonance directivity patterns illustrate the theory and reveal some properties of the scattering. Numerous applications involving the scattering phenomenon in imaging, particle manipulation, and the characterization of multiphase flows can benefit from the present analysis because all physically realizable beams radiate acoustical waves from finite transducers as opposed to waves of infinite extent.
Farzaneh, Saeed; Forootan, Ehsan
2018-03-01
The computerized ionospheric tomography is a method for imaging the Earth's ionosphere using a sounding technique and computing the slant total electron content (STEC) values from data of the global positioning system (GPS). The most common approach for ionospheric tomography is the voxel-based model, in which (1) the ionosphere is divided into voxels, (2) the STEC is then measured along (many) satellite signal paths, and finally (3) an inversion procedure is applied to reconstruct the electron density distribution of the ionosphere. In this study, a computationally efficient approach is introduced, which improves the inversion procedure of step 3. Our proposed method combines the empirical orthogonal function and the spherical Slepian base functions to describe the vertical and horizontal distribution of electron density, respectively. Thus, it can be applied on regional and global case studies. Numerical application is demonstrated using the ground-based GPS data over South America. Our results are validated against ionospheric tomography obtained from the constellation observing system for meteorology, ionosphere, and climate (COSMIC) observations and the global ionosphere map estimated by international centers, as well as by comparison with STEC derived from independent GPS stations. Using the proposed approach, we find that while using 30 GPS measurements in South America, one can achieve comparable accuracy with those from COSMIC data within the reported accuracy (1 × 1011 el/cm3) of the product. Comparisons with real observations of two GPS stations indicate an absolute difference is less than 2 TECU (where 1 total electron content unit, TECU, is 1016 electrons/m2).
Two-fluid static spherical configurations with linear mass function in the Einstein-Cartan theory
International Nuclear Information System (INIS)
Gallakhmetov, A.M.
2002-01-01
In the framework of the Einstein-Cartan theory, two-fluid static spherical configurations with linear mass function are considered. One of these modelling anisotropic matter distributions within star and the other fluid is a perfect fluid representing a source of torsion. It is shown that the solutions of the Einstein equations for anisotropic relativistic spheres in General Relativity may generate the solutions in the Einstein-Cartan theory. Some exact solutions are obtained
The tensor part of the Skyrme energy density functional. I. Spherical nuclei
Energy Technology Data Exchange (ETDEWEB)
Lesinski, T.; Meyer, J. [Universite de Lyon, F-69003 Lyon (France)]|[Institut de Physique Nucleaire de Lyon, CNRS/IN2P3, Universite Lyon 1, F-69622 Villeurbanne (France); Bender, M. [DSM/DAPNIA/SPhN, CEA Saclay, F-91191 Gif-sur-Yvette Cedex (France)]|[Universite Bordeaux, CNRS/IN2P3, Centre d' Etudes Nucleaires de Bordeaux Gradignan, UMR5797, Chemin du Solarium, BP120, F-33175 Gradignan (France); Bennaceur, K. [Universite de Lyon, F-69003 Lyon (France)]|[Institut de Physique Nucleaire de Lyon, CNRS/IN2P3, Universite Lyon 1, F-69622 Villeurbanne (France)]|[DSM/DAPNIA/SPhN, CEA Saclay, F-91191 Gif-sur-Yvette Cedex (France); Duguet, T. [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States)
2007-04-15
We perform a systematic study of the impact of the J-vector{sup 2} tensor term in the Skyrme energy functional on properties of spherical nuclei. In the Skyrme energy functional, the tensor terms originate both from zero-range central and tensor forces. We build a set of 36 parameterizations which cover a wide range of the parameter space of the isoscalar and isovector tensor term coupling constants with a fit protocol very similar to that of the successful SLy parameterizations. We analyze the impact of the tensor terms on a large variety of observables in spherical mean-field calculations, such as the spin-orbit splittings and single-particle spectra of doubly-magic nuclei, the evolution of spin-orbit splittings along chains of semi-magic nuclei, mass residuals of spherical nuclei, and known anomalies of radii. The major findings of our study are (i) tensor terms should not be added perturbatively to existing parameterizations, a complete refit of the entire parameter set is imperative. (ii) The free variation of the tensor terms does not lower the {chi}{sup 2} within a standard Skyrme energy functional. (iii) For certain regions of the parameter space of their coupling constants, the tensor terms lead to instabilities of the spherical shell structure, or even the coexistence of two configurations with different spherical shell structure. (iv) The standard spin-orbit interaction does not scale properly with the principal quantum number, such that single-particle states with one or several nodes have too large spin-orbit splittings, while those of node-less intruder levels are tentatively too small. Tensor terms with realistic coupling constants cannot cure this problem. (v) Positive values of the coupling constants of proton-neutron and like-particle tensor terms allow for a qualitative description of the evolution of spin-orbit splittings in chains of Ca, Ni and Sn isotopes. (vi) For the same values of the tensor term coupling constants, however, the overall
Effect of amine functionalization of spherical MCM-41 and SBA-15 on controlled drug release
International Nuclear Information System (INIS)
Szegedi, A.; Popova, M.; Goshev, I.; Mihaly, J.
2011-01-01
MCM-41 and SBA-15 silica materials with spherical morphology and different particle sizes were synthesized and modified by post-synthesis method with 3-aminopropyltriethoxysilane (APTES). A comparative study of the adsorption and release of a model drug, ibuprofen, were carried out. The modified and drug loaded mesoporous materials were characterized by XRD, TEM, N 2 physisorption, thermal analysis, elemental analysis and FT-IR spectroscopy. Surface modification with amino groups resulted in high degree of ibuprofen loading and slow rate of release for MCM-41, whereas it was the opposite for SBA-15. The adsorbed drug content and the delivery rate can be predetermined by the choice of mesoporous material with the appropriate structural characteristics and surface functionality. -- Graphical Abstract: Ibuprofen delivery from the parent and amino-modified spherical MCM-41 materials with 100 nm (small) and 500 nm (large) particle sizes. Display Omitted Highlights: → Spherical type MCM-41 and SBA-15 with different particle sizes were modified by APTES. → Adsorption and release rate of ibuprofen were compared. → High degree of ibuprofen loading, slow release rate for MCM-41, the opposite for SBA-15. → MCM-41 with 100 nm particles was more stable and showed slower release rate
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
Directory of Open Access Journals (Sweden)
Khang Jie Liew
Full Text Available This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad
2016-01-01
This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
Closed fringe demodulation using phase decomposition by Fourier basis functions.
Kulkarni, Rishikesh; Rastogi, Pramod
2016-06-01
We report a new technique for the demodulation of a closed fringe pattern by representing the phase as a weighted linear combination of a certain number of linearly independent Fourier basis functions in a given row/column at a time. A state space model is developed with the weights of the basis functions as the elements of the state vector. The iterative extended Kalman filter is effectively utilized for the robust estimation of the weights. A coarse estimate of the fringe density based on the fringe frequency map is used to determine the initial row/column to start with and subsequently the optimal number of basis functions. The performance of the proposed method is evaluated with several noisy fringe patterns. Experimental results are also reported to support the practical applicability of the proposed method.
Speech/Nonspeech Detection Using Minimal Walsh Basis Functions
Directory of Open Access Journals (Sweden)
Pwint Moe
2007-01-01
Full Text Available This paper presents a new method to detect speech/nonspeech components of a given noisy signal. Employing the combination of binary Walsh basis functions and an analysis-synthesis scheme, the original noisy speech signal is modified first. From the modified signals, the speech components are distinguished from the nonspeech components by using a simple decision scheme. Minimal number of Walsh basis functions to be applied is determined using singular value decomposition (SVD. The main advantages of the proposed method are low computational complexity, less parameters to be adjusted, and simple implementation. It is observed that the use of Walsh basis functions makes the proposed algorithm efficiently applicable in real-world situations where processing time is crucial. Simulation results indicate that the proposed algorithm achieves high-speech and nonspeech detection rates while maintaining a low error rate for different noisy conditions.
Gaussian basis functions for highly oscillatory scattering wavefunctions
Mant, B. P.; Law, M. M.
2018-04-01
We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.
Optimal Piecewise Linear Basis Functions in Two Dimensions
Energy Technology Data Exchange (ETDEWEB)
Brooks III, E D; Szoke, A
2009-01-26
We use a variational approach to optimize the center point coefficients associated with the piecewise linear basis functions introduced by Stone and Adams [1], for polygonal zones in two Cartesian dimensions. Our strategy provides optimal center point coefficients, as a function of the location of the center point, by minimizing the error induced when the basis function interpolation is used for the solution of the time independent diffusion equation within the polygonal zone. By using optimal center point coefficients, one expects to minimize the errors that occur when these basis functions are used to discretize diffusion equations, or transport equations in optically thick zones (where they approach the solution of the diffusion equation). Our optimal center point coefficients satisfy the requirements placed upon the basis functions for any location of the center point. We also find that the location of the center point can be optimized, but this requires numerical calculations. Curiously, the optimum center point location is independent of the values of the dependent variable on the corners only for quadrilaterals.
Phase function of a spherical particle when scattering an inhomogeneous electromagnetic plane wave
DEFF Research Database (Denmark)
Frisvad, Jeppe Revall
2018-01-01
of the complex hypergeometric function 2F1 for every term of a series expansion. In this work, I develop a simpler solution based on associated Legendre functions with argument zero. It is similar to the solution for homogeneous plane waves but with new explicit expressions for the angular dependency of the far......In absorbing media, electromagnetic plane waves are most often inhomogeneous. Existing solutions for the scattering of an inhomogeneous plane wave by a spherical particle provide no explicit expressions for the scattering components. In addition, current analytical solutions require evaluation......-field scattering components, that is, the phase function. I include recurrence formulae for practical evaluation and provide numerical examples to evaluate how well the new expressions match previous work in some limiting cases. The predicted difference in the scattering phase function due to inhomogeneity...
Directory of Open Access Journals (Sweden)
Agata Bezubik
2006-03-01
Full Text Available This paper presents recent results obtained by the authors (partly in collaboration with A. Dabrowska concerning expansions of zonal functions on Euclidean spheres into spherical harmonics and some applications of such expansions for problems involving Fourier transforms of functions with rotational symmetry. The method used to derive the expansion formula is based entirely on differential methods and completely avoids the use of various integral identities commonly used in this context. Some new identities for the Fourier transform are derived and as a byproduct seemingly new recurrence relations for the classical Bessel functions are obtained.
Spherical cavity-expansion forcing function in PRONTO 3D for application to penetration problems
Energy Technology Data Exchange (ETDEWEB)
Warren, T.L.; Tabbara, M.R.
1997-05-01
In certain penetration events the primary mode of deformation of the target can be approximated by known analytical expressions. In the context of an analysis code, this approximation eliminates the need for modeling the target as well as the need for a contact algorithm. This technique substantially reduces execution time. In this spirit, a forcing function which is derived from a spherical-cavity expansion analysis has been implemented in PRONTO 3D. This implementation is capable of computing the structural and component responses of a projectile due to three dimensional penetration events. Sample problems demonstrate good agreement with experimental and analytical results.
Surface critical behavior and scaling functions for the three-dimensional mean spherical model
Energy Technology Data Exchange (ETDEWEB)
Amin, Magdy E. [Mathematics Department, Ar' ar Teacher College, Kingdom of Saudi Arabia (Saudi Arabia) and Mathematics Department, Faculty of Science, Minia University (Egypt)]. E-mail: aminmagdy@yahoo.com
2006-10-09
The d-dimensional mean spherical model on a fully finite L{sup d} simple cubic lattice with Neumann-Dirichlet boundary conditions is considered in the presence of a surface external fields acting at the surfaces bounding the system. Exact calculations are evaluated for the fully finite system and in the case of a film geometry Lx{approx}{sup d-1}. Critical finite-size scaling functions both for the specific heat and the mean-square magnetization are derived and investigated close to and below the bulk critical temperature K{sub c}.
Optimal choice of basis functions in the linear regression analysis
International Nuclear Information System (INIS)
Khotinskij, A.M.
1988-01-01
Problem of optimal choice of basis functions in the linear regression analysis is investigated. Step algorithm with estimation of its efficiency, which holds true at finite number of measurements, is suggested. Conditions, providing the probability of correct choice close to 1 are formulated. Application of the step algorithm to analysis of decay curves is substantiated. 8 refs
Radial basis function neural network in fault detection of automotive ...
African Journals Online (AJOL)
Radial basis function neural network in fault detection of automotive engines. ... Five faults have been simulated on the MVEM, including three sensor faults, one component fault and one actuator fault. The three sensor faults ... Keywords: Automotive engine, independent RBFNN model, RBF neural network, fault detection
Radial Basis Function Based Quadrature over Smooth Surfaces
2016-03-24
Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29
Large-Eddy Simulation Using Projection onto Local Basis Functions
Pope, S. B.
In the traditional approach to LES for inhomogeneous flows, the resolved fields are obtained by a filtering operation (with filter width Delta). The equations governing the resolved fields are then partial differential equations, which are solved numerically (on a grid of spacing h). For an LES computation of a given magnitude (i.e., given h), there are conflicting considerations in the choice of Delta: to resolve a large range of turbulent motions, Delta should be small; to solve the equations with numerical accuracy, Delta should be large. In the alternative approach advanced here, this conflict is avoided. The resolved fields are defined by projection onto local basis functions, so that the governing equations are ordinary differential equations for the evolution of the basis-function coefficients. There is no issue of numerical spatial discretization errors. A general methodology for modelling the effects of the residual motions is developed. The model is based directly on the basis-function coefficients, and its effect is to smooth the fields where their rates of change are not well resolved by the basis functions. Demonstration calculations are performed for Burgers' equation.
Higher-Order Hierarchical Legendre Basis Functions in Applications
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter
2007-01-01
The higher-order hierarchical Legendre basis functions have been developed for eﬀective solution of integral equations with the method of moments. They are derived from orthogonal Legendre polynomials modiﬁed to enforce normal continuity between neighboring mesh elements, while preserving a high...
Diffusion Forecasting Model with Basis Functions from QR-Decomposition
Harlim, John; Yang, Haizhao
2017-12-01
The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.
Surface interpolation with radial basis functions for medical imaging
International Nuclear Information System (INIS)
Carr, J.C.; Beatson, R.K.; Fright, W.R.
1997-01-01
Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill
Numerical evaluation of integrals containing a spherical Bessel function by product integration
International Nuclear Information System (INIS)
Lehman, D.R.; Parke, W.C.; Maximon, L.C.
1981-01-01
A method is developed for numerical evaluation of integrals with k-integration range from 0 to infinity that contain a spherical Bessel function j/sub l/(kr) explicitly. The required quadrature weights are easily calculated and the rate of convergence is rapid: only a relatively small number of quadrature points is needed: for an accurate evaluation even when r is large. The quadrature rule is obtained by the method of product integration. With the abscissas chosen to be those of Clenshaw--Curtis and the Chebyshev polynomials as the interpolating polynomials, quadrature weights are obtained that depend on the spherical Bessel function. An inhomogenous recurrence relation is derived from which the weights can be calculated without accumulation of roundoff error. The procedure is summarized as an easily implementable algorithm. Questions of convergence are discussed and the rate of convergence demonstrated for several test integrals. Alternative procedures are given for generating the integration weights and an error analysis of the method is presented
Quantum phase space with a basis of Wannier functions
Fang, Yuan; Wu, Fan; Wu, Biao
2018-02-01
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn’s method and Löwdin method such that each Wannier function is localized at a Planck cell. With these Wannier functions one can map a wave function unitarily onto phase space. Various examples are used to illustrate our method and compare it to Wigner function. The advantage of our method is that it can smooth out the oscillations in wave functions without losing any information and is potentially a better tool in studying quantum-classical correspondence. In addition, we point out that our method can be used for time-frequency analysis of signals.
Aft-body loading function for penetrators based on the spherical cavity-expansion approximation.
Energy Technology Data Exchange (ETDEWEB)
Longcope, Donald B., Jr.; Warren, Thomas Lynn; Duong, Henry
2009-12-01
In this paper we develop an aft-body loading function for penetration simulations that is based on the spherical cavity-expansion approximation. This loading function assumes that there is a preexisting cavity of radius a{sub o} before the expansion occurs. This causes the radial stress on the cavity surface to be less than what is obtained if the cavity is opened from a zero initial radius. This in turn causes less resistance on the aft body as it penetrates the target which allows for greater rotation of the penetrator. Results from simulations are compared with experimental results for oblique penetration into a concrete target with an unconfined compressive strength of 23 MPa.
Compactly Supported Basis Functions as Support Vector Kernels for Classification.
Wittek, Peter; Tan, Chew Lim
2011-10-01
Wavelet kernels have been introduced for both support vector regression and classification. Most of these wavelet kernels do not use the inner product of the embedding space, but use wavelets in a similar fashion to radial basis function kernels. Wavelet analysis is typically carried out on data with a temporal or spatial relation between consecutive data points. We argue that it is possible to order the features of a general data set so that consecutive features are statistically related to each other, thus enabling us to interpret the vector representation of an object as a series of equally or randomly spaced observations of a hypothetical continuous signal. By approximating the signal with compactly supported basis functions and employing the inner product of the embedding L2 space, we gain a new family of wavelet kernels. Empirical results show a clear advantage in favor of these kernels.
Complexity of Gaussian-Radial-Basis Networks Approximating Smooth Functions
Czech Academy of Sciences Publication Activity Database
Kainen, P.C.; Kůrková, Věra; Sanguineti, M.
2009-01-01
Roč. 25, č. 1 (2009), s. 63-74 ISSN 0885-064X R&D Projects: GA ČR GA201/08/1744 Institutional research plan: CEZ:AV0Z10300504 Keywords : Gaussian-radial-basis-function networks * rates of approximation * model complexity * variation norms * Bessel and Sobolev norms * tractability of approximation Subject RIV: IN - Informatics, Computer Science Impact factor: 1.227, year: 2009
Application of the Characteristic Basis Function Method Using CUDA
Directory of Open Access Journals (Sweden)
Juan Ignacio Pérez
2014-01-01
Full Text Available The characteristic basis function method (CBFM is a popular technique for efficiently solving the method of moments (MoM matrix equations. In this work, we address the adaptation of this method to a relatively new computing infrastructure provided by NVIDIA, the Compute Unified Device Architecture (CUDA, and take into account some of the limitations which appear when the geometry under analysis becomes too big to fit into the Graphics Processing Unit’s (GPU’s memory.
On-line learning in radial basis functions networks
Freeman, Jason; Saad, David
1997-01-01
An analytic investigation of the average case learning and generalization properties of Radial Basis Function Networks (RBFs) is presented, utilising on-line gradient descent as the learning rule. The analytic method employed allows both the calculation of generalization error and the examination of the internal dynamics of the network. The generalization error and internal dynamics are then used to examine the role of the learning rate and the specialization of the hidden units, which gives ...
Modeling Marine Electromagnetic Survey with Radial Basis Function Networks
Directory of Open Access Journals (Sweden)
Agus Arif
2014-11-01
Full Text Available A marine electromagnetic survey is an engineering endeavour to discover the location and dimension of a hydrocarbon layer under an ocean floor. In this kind of survey, an array of electric and magnetic receivers are located on the sea floor and record the scattered, refracted and reflected electromagnetic wave, which has been transmitted by an electric dipole antenna towed by a vessel. The data recorded in receivers must be processed and further analysed to estimate the hydrocarbon location and dimension. To conduct those analyses successfuly, a radial basis function (RBF network could be employed to become a forward model of the input-output relationship of the data from a marine electromagnetic survey. This type of neural networks is working based on distances between its inputs and predetermined centres of some basis functions. A previous research had been conducted to model the same marine electromagnetic survey using another type of neural networks, which is a multi layer perceptron (MLP network. By comparing their validation and training performances (mean-squared errors and correlation coefficients, it is concluded that, in this case, the MLP network is comparatively better than the RBF network[1].[1] This manuscript is an extended version of our previous paper, entitled Radial Basis Function Networks for Modeling Marine Electromagnetic Survey, which had been presented on 2011 International Conference on Electrical Engineering and Informatics, 17-19 July 2011, Bandung, Indonesia.
Bubin, Sergiy; Adamowicz, Ludwik
2006-06-14
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.
Bubin, Sergiy; Adamowicz, Ludwik
2006-06-01
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.
Radial basis function and its application in tourism management
Hu, Shan-Feng; Zhu, Hong-Bin; Zhao, Lei
2018-05-01
In this work, several applications and the performances of the radial basis function (RBF) are briefly reviewed at first. After that, the binomial function combined with three different RBFs including the multiquadric (MQ), inverse quadric (IQ) and inverse multiquadric (IMQ) distributions are adopted to model the tourism data of Huangshan in China. Simulation results showed that all the models match very well with the sample data. It is found that among the three models, the IMQ-RBF model is more suitable for forecasting the tourist flow.
Radial Basis Function Networks for Conversion of Sound Spectra
Directory of Open Access Journals (Sweden)
Carlo Drioli
2001-03-01
Full Text Available In many advanced signal processing tasks, such as pitch shifting, voice conversion or sound synthesis, accurate spectral processing is required. Here, the use of Radial Basis Function Networks (RBFN is proposed for the modeling of the spectral changes (or conversions related to the control of important sound parameters, such as pitch or intensity. The identification of such conversion functions is based on a procedure which learns the shape of the conversion from few couples of target spectra from a data set. The generalization properties of RBFNs provides for interpolation with respect to the pitch range. In the construction of the training set, mel-cepstral encoding of the spectrum is used to catch the perceptually most relevant spectral changes. Moreover, a singular value decomposition (SVD approach is used to reduce the dimension of conversion functions. The RBFN conversion functions introduced are characterized by a perceptually-based fast training procedure, desirable interpolation properties and computational efficiency.
Energy Technology Data Exchange (ETDEWEB)
Jaworski, M A; Gray, T K; Kaita, R; Kallman, J; Kugel, H; LeBlanc, B; McLean, A; Sabbagh, S A; Soukanovskii, V; Stotler, D P
2011-06-03
The National Spherical Torus Experiment (NSTX) has recently studied the use of a liquid lithium divertor (LLD). Divertor Langmuir probes have also been installed for making measurements of the local plasma conditions. A non-local probe interpretation method is used to supplement the classical probe interpretation and obtain measurements of the electron energy distribution function (EEDF) which show the occurrence of a hot-electron component. Analysis is made of two discharges within a sequence that exhibited changes in plasma fueling efficiency. It is found that the local electron temperature increases and that this increase is most strongly correlated with the energy contained within the hot-electron population. Preliminary interpretative modeling indicates that kinetic effects are likely in the NSTX.
Directory of Open Access Journals (Sweden)
L.B.Bhuiyan
2005-01-01
Full Text Available The density functional and modified Poisson-Boltzmann descriptions of a spherical (electric double layer are compared and contrasted vis-a-vis existing Monte Carlo simulation data (for small ion diameter 4.25·10-10 m from the literature for a range of physical parameters such as macroion surface charge, macroion radius, valencies of the small ions, and electrolyte concentration. Overall, the theoretical predictions are seen to be remarkably consistent between themselves, being also in very good agreement with the simulations. Some modified Poisson-Boltzmann results for the zeta potential at small ion diameters of 3 and 2·10-10 m are also reported.
Practical auxiliary basis implementation of Rung 3.5 functionals
International Nuclear Information System (INIS)
Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.
2014-01-01
Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r -vector ,r -vector ′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r -vector ,r -vector ′) onto a semilocal model density matrix γ SL (ρ(r -vector ),∇ρ(r -vector ),r -vector −r -vector ′). γ SL depends on the electron density ρ(r -vector ) at reference point r -vector , and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expanding the r -vector −r -vector ′ dependence of γ SL in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ SL yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms
Phase function of a spherical particle when scattering an inhomogeneous electromagnetic plane wave.
Frisvad, Jeppe Revall
2018-04-01
In absorbing media, electromagnetic plane waves are most often inhomogeneous. Existing solutions for the scattering of an inhomogeneous plane wave by a spherical particle provide no explicit expressions for the scattering components. In addition, current analytical solutions require evaluation of the complex hypergeometric function F 1 2 for every term of a series expansion. In this work, I develop a simpler solution based on associated Legendre functions with argument zero. It is similar to the solution for homogeneous plane waves but with new explicit expressions for the angular dependency of the far-field scattering components, that is, the phase function. I include recurrence formulas for practical evaluation and provide numerical examples to evaluate how well the new expressions match previous work in some limiting cases. The predicted difference in the scattering phase function due to inhomogeneity is not negligible for light entering an absorbing medium at an oblique angle. The presented theory could thus be useful for predicting scattering behavior in dye-based random lasing and in solar cell absorption enhancement.
Learning Mixtures of Truncated Basis Functions from Data
DEFF Research Database (Denmark)
Langseth, Helge; Nielsen, Thomas Dyhre; Pérez-Bernabé, Inmaculada
2014-01-01
In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing a ke...... propose an alternative learning method that relies on the cumulative distribution function of the data. Empirical results demonstrate the usefulness of the approaches: Even though the methods produce estimators that are slightly poorer than the state of the art (in terms of log......In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing......-likelihood), they are significantly faster, and therefore indicate that the MoTBF framework can be used for inference and learning in reasonably sized domains. Furthermore, we show how a particular sub- class of MoTBF potentials (learnable by the proposed methods) can be exploited to significantly reduce complexity during inference....
Recent advances in radial basis function collocation methods
Chen, Wen; Chen, C S
2014-01-01
This book surveys the latest advances in radial basis function (RBF) meshless collocation methods which emphasis on recent novel kernel RBFs and new numerical schemes for solving partial differential equations. The RBF collocation methods are inherently free of integration and mesh, and avoid tedious mesh generation involved in standard finite element and boundary element methods. This book focuses primarily on the numerical algorithms, engineering applications, and highlights a large class of novel boundary-type RBF meshless collocation methods. These methods have shown a clear edge over the traditional numerical techniques especially for problems involving infinite domain, moving boundary, thin-walled structures, and inverse problems. Due to the rapid development in RBF meshless collocation methods, there is a need to summarize all these new materials so that they are available to scientists, engineers, and graduate students who are interest to apply these newly developed methods for solving real world’s ...
The Gaussian radial basis function method for plasma kinetic theory
Energy Technology Data Exchange (ETDEWEB)
Hirvijoki, E., E-mail: eero.hirvijoki@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Candy, J.; Belli, E. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States); Embréus, O. [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)
2015-10-30
Description of a magnetized plasma involves the Vlasov equation supplemented with the non-linear Fokker–Planck collision operator. For non-Maxwellian distributions, the collision operator, however, is difficult to compute. In this Letter, we introduce Gaussian Radial Basis Functions (RBFs) to discretize the velocity space of the entire kinetic system, and give the corresponding analytical expressions for the Vlasov and collision operator. Outlining the general theory, we also highlight the connection to plasma fluid theories, and give 2D and 3D numerical solutions of the non-linear Fokker–Planck equation. Applications are anticipated in both astrophysical and laboratory plasmas. - Highlights: • A radically new method to address the velocity space discretization of the non-linear kinetic equation of plasmas. • Elegant and physically intuitive, flexible and mesh-free. • Demonstration of numerical solution of both 2-D and 3-D non-linear Fokker–Planck relaxation problem.
Adaptive radial basis function mesh deformation using data reduction
Gillebaart, T.; Blom, D. S.; van Zuijlen, A. H.; Bijl, H.
2016-09-01
Radial Basis Function (RBF) mesh deformation is one of the most robust mesh deformation methods available. Using the greedy (data reduction) method in combination with an explicit boundary correction, results in an efficient method as shown in literature. However, to ensure the method remains robust, two issues are addressed: 1) how to ensure that the set of control points remains an accurate representation of the geometry in time and 2) how to use/automate the explicit boundary correction, while ensuring a high mesh quality. In this paper, we propose an adaptive RBF mesh deformation method, which ensures the set of control points always represents the geometry/displacement up to a certain (user-specified) criteria, by keeping track of the boundary error throughout the simulation and re-selecting when needed. Opposed to the unit displacement and prescribed displacement selection methods, the adaptive method is more robust, user-independent and efficient, for the cases considered. Secondly, the analysis of a single high aspect ratio cell is used to formulate an equation for the correction radius needed, depending on the characteristics of the correction function used, maximum aspect ratio, minimum first cell height and boundary error. Based on the analysis two new radial basis correction functions are derived and proposed. This proposed automated procedure is verified while varying the correction function, Reynolds number (and thus first cell height and aspect ratio) and boundary error. Finally, the parallel efficiency is studied for the two adaptive methods, unit displacement and prescribed displacement for both the CPU as well as the memory formulation with a 2D oscillating and translating airfoil with oscillating flap, a 3D flexible locally deforming tube and deforming wind turbine blade. Generally, the memory formulation requires less work (due to the large amount of work required for evaluating RBF's), but the parallel efficiency reduces due to the limited
Revisiting the Fourier expansion of Mie scattering matrices in generalized spherical functions
International Nuclear Information System (INIS)
Sanghavi, Suniti
2014-01-01
Mie computations of the scattering properties of large particles are a time consuming step in the radiative transfer modeling of aerosol and clouds. Currently, there exist two methods based on the use of spherical functions for computing the Fourier moments of the phase matrix of a given spherical particle or particulate polydispersion: The first, developed over the years before being presented in a convenient form by Siewert [31], required an intermediate computation of the phase matrix over which numerical integration was performed to deliver the required Fourier components. The second, suggested by Domke [9], promised a direct computation of the Fourier moments using Wigner 3-j symbols. While the former was relatively easy to implement and is thus the most commonly used to date, its numerical implementation using an arbitrary user choice of angular quadrature (NAI-1) can produce inaccurate results. Numerical integration using quadrature points as recommended by de Rooij and van der Stap [5] (NAI-2) delivers accurate results with high computational efficiency. Domke's method enables a direct computation of the exact number of required Fourier components. However, the original manuscript contained several misprints, many of which were subsequently corrected by de Rooij and van der Stap [5]. Unfortunately, the main recurrence relationship used in Domke [9] remained uncorrected. In this paper, the corrected relationship is presented along with other minor corrections. de Rooij and van der Stap [5] had found the straightforward application of Domke's method viable only for size parameters smaller than ∼120 due to issues involving computer storage. A means of implementing the corrected Domke formalism using precomputed tabulations of Wigner 3-j symbols (PCW) is presented here, making it more computationally economical and applicable over much broader particle size ranges. The accuracy of PCW is only limited by machine precision. For a single particle, NAI-2 is found
Global sensitivity analysis using a Gaussian Radial Basis Function metamodel
International Nuclear Information System (INIS)
Wu, Zeping; Wang, Donghui; Okolo N, Patrick; Hu, Fan; Zhang, Weihua
2016-01-01
Sensitivity analysis plays an important role in exploring the actual impact of adjustable parameters on response variables. Amongst the wide range of documented studies on sensitivity measures and analysis, Sobol' indices have received greater portion of attention due to the fact that they can provide accurate information for most models. In this paper, a novel analytical expression to compute the Sobol' indices is derived by introducing a method which uses the Gaussian Radial Basis Function to build metamodels of computationally expensive computer codes. Performance of the proposed method is validated against various analytical functions and also a structural simulation scenario. Results demonstrate that the proposed method is an efficient approach, requiring a computational cost of one to two orders of magnitude less when compared to the traditional Quasi Monte Carlo-based evaluation of Sobol' indices. - Highlights: • RBF based sensitivity analysis method is proposed. • Sobol' decomposition of Gaussian RBF metamodel is obtained. • Sobol' indices of Gaussian RBF metamodel are derived based on the decomposition. • The efficiency of proposed method is validated by some numerical examples.
Generation of Optimal Basis Functions for Reconstruction of Power Distribution
Energy Technology Data Exchange (ETDEWEB)
Park, Moonghu [Sejong Univ., Seoul (Korea, Republic of)
2014-05-15
This study proposes GMDH to find not only the best functional form but also the optimal parameters those describe the power distribution most accurately. A total of 1,060 cases of axially 1-dimensional core power distributions of 20-nodes are generated by 3-dimensional core analysis code covering BOL to EOL core burnup histories to validate the method. Axially five-point box powers at in-core detectors are considered as measurements. The reconstructed axial power shapes using GMDH method are compared to the reference power shapes. The results show that the proposed method is very robust and accurate compared with spline fitting method. It is shown that the GMDH analysis can give optimal basis functions for core power shape reconstruction. The in-core measurements are the 5 detector snapshots and the 20-node power distribution is successfully reconstructed. The effectiveness of the method is demonstrated by comparing the results of spline fitting for BOL, saddle and top-skewed power shapes.
Salman, Yehonatan
2017-09-01
The aim of this paper is to introduce a new inversion procedure for recovering functions, defined on R2 , from the spherical mean transform, which integrates functions on a prescribed family Λ of circles, where Λ consists of circles whose centers belong to a given ellipse E on the plane. The method presented here follows the same procedure which was used by Norton (J Acoust Soc Am 67:1266-1273, 1980) for recovering functions in case where Λ consists of circles with centers on a circle. However, at some point we will have to modify the method in [24] by using expansion in elliptical coordinates, rather than spherical coordinates, in order to solve the more generalized elliptical case. We will rely on a recent result obtained by Cohl and Volkmer (J Phys A Math Theor 45:355204, 2012) for the eigenfunction expansion of the Bessel function in elliptical coordinates.
Neuronal spike sorting based on radial basis function neural networks
Directory of Open Access Journals (Sweden)
Taghavi Kani M
2011-02-01
Full Text Available "nBackground: Studying the behavior of a society of neurons, extracting the communication mechanisms of brain with other tissues, finding treatment for some nervous system diseases and designing neuroprosthetic devices, require an algorithm to sort neuralspikes automatically. However, sorting neural spikes is a challenging task because of the low signal to noise ratio (SNR of the spikes. The main purpose of this study was to design an automatic algorithm for classifying neuronal spikes that are emitted from a specific region of the nervous system."n "nMethods: The spike sorting process usually consists of three stages: detection, feature extraction and sorting. We initially used signal statistics to detect neural spikes. Then, we chose a limited number of typical spikes as features and finally used them to train a radial basis function (RBF neural network to sort the spikes. In most spike sorting devices, these signals are not linearly discriminative. In order to solve this problem, the aforesaid RBF neural network was used."n "nResults: After the learning process, our proposed algorithm classified any arbitrary spike. The obtained results showed that even though the proposed Radial Basis Spike Sorter (RBSS reached to the same error as the previous methods, however, the computational costs were much lower compared to other algorithms. Moreover, the competitive points of the proposed algorithm were its good speed and low computational complexity."n "nConclusion: Regarding the results of this study, the proposed algorithm seems to serve the purpose of procedures that require real-time processing and spike sorting.
GRACE L1b inversion through a self-consistent modified radial basis function approach
Yang, Fan; Kusche, Juergen; Rietbroek, Roelof; Eicker, Annette
2016-04-01
Implementing a regional geopotential representation such as mascons or, more general, RBFs (radial basis functions) has been widely accepted as an efficient and flexible approach to recover the gravity field from GRACE (Gravity Recovery and Climate Experiment), especially at higher latitude region like Greenland. This is since RBFs allow for regionally specific regularizations over areas which have sufficient and dense GRACE observations. Although existing RBF solutions show a better resolution than classical spherical harmonic solutions, the applied regularizations cause spatial leakage which should be carefully dealt with. It has been shown that leakage is a main error source which leads to an evident underestimation of yearly trend of ice-melting over Greenland. Unlike some popular post-processing techniques to mitigate leakage signals, this study, for the first time, attempts to reduce the leakage directly in the GRACE L1b inversion by constructing an innovative modified (MRBF) basis in place of the standard RBFs to retrieve a more realistic temporal gravity signal along the coastline. Our point of departure is that the surface mass loading associated with standard RBF is smooth but disregards physical consistency between continental mass and passive ocean response. In this contribution, based on earlier work by Clarke et al.(2007), a physically self-consistent MRBF representation is constructed from standard RBFs, with the help of the sea level equation: for a given standard RBF basis, the corresponding MRBF basis is first obtained by keeping the surface load over the continent unchanged, but imposing global mass conservation and equilibrium response of the oceans. Then, the updated set of MRBFs as well as standard RBFs are individually employed as the basis function to determine the temporal gravity field from GRACE L1b data. In this way, in the MRBF GRACE solution, the passive (e.g. ice melting and land hydrology response) sea level is automatically
Meshfree Local Radial Basis Function Collocation Method with Image Nodes
Energy Technology Data Exchange (ETDEWEB)
Baek, Seung Ki; Kim, Minjae [Pukyong National University, Busan (Korea, Republic of)
2017-07-15
We numerically solve two-dimensional heat diffusion problems by using a simple variant of the meshfree local radial-basis function (RBF) collocation method. The main idea is to include an additional set of sample nodes outside the problem domain, similarly to the method of images in electrostatics, to perform collocation on the domain boundaries. We can thereby take into account the temperature profile as well as its gradients specified by boundary conditions at the same time, which holds true even for a node where two or more boundaries meet with different boundary conditions. We argue that the image method is computationally efficient when combined with the local RBF collocation method, whereas the addition of image nodes becomes very costly in case of the global collocation. We apply our modified method to a benchmark test of a boundary value problem, and find that this simple modification reduces the maximum error from the analytic solution significantly. The reduction is small for an initial value problem with simpler boundary conditions. We observe increased numerical instability, which has to be compensated for by a sufficient number of sample nodes and/or more careful parameter choices for time integration.
Complex basis functions for molecular resonances: Methodology and applications
White, Alec; McCurdy, C. William; Head-Gordon, Martin
The computation of positions and widths of metastable electronic states is a challenge for molecular electronic structure theory because, in addition to the difficulty of the many-body problem, such states obey scattering boundary conditions. These resonances cannot be addressed with naïve application of traditional bound state electronic structure theory. Non-Hermitian electronic structure methods employing complex basis functions is one way that we may rigorously treat resonances within the framework of traditional electronic structure theory. In this talk, I will discuss our recent work in this area including the methodological extension from single determinant SCF-based approaches to highly correlated levels of wavefunction-based theory such as equation of motion coupled cluster and many-body perturbation theory. These approaches provide a hierarchy of theoretical methods for the computation of positions and widths of molecular resonances. Within this framework, we may also examine properties of resonances including the dependence of these parameters on molecular geometry. Some applications of these methods to temporary anions and dianions will also be discussed.
Wavelets as basis functions in electronic structure calculations
International Nuclear Information System (INIS)
Chauvin, C.
2005-11-01
This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)
Yang, Jingjing; Cox, Dennis D; Lee, Jong Soo; Ren, Peng; Choi, Taeryon
2017-12-01
Functional data are defined as realizations of random functions (mostly smooth functions) varying over a continuum, which are usually collected on discretized grids with measurement errors. In order to accurately smooth noisy functional observations and deal with the issue of high-dimensional observation grids, we propose a novel Bayesian method based on the Bayesian hierarchical model with a Gaussian-Wishart process prior and basis function representations. We first derive an induced model for the basis-function coefficients of the functional data, and then use this model to conduct posterior inference through Markov chain Monte Carlo methods. Compared to the standard Bayesian inference that suffers serious computational burden and instability in analyzing high-dimensional functional data, our method greatly improves the computational scalability and stability, while inheriting the advantage of simultaneously smoothing raw observations and estimating the mean-covariance functions in a nonparametric way. In addition, our method can naturally handle functional data observed on random or uncommon grids. Simulation and real studies demonstrate that our method produces similar results to those obtainable by the standard Bayesian inference with low-dimensional common grids, while efficiently smoothing and estimating functional data with random and high-dimensional observation grids when the standard Bayesian inference fails. In conclusion, our method can efficiently smooth and estimate high-dimensional functional data, providing one way to resolve the curse of dimensionality for Bayesian functional data analysis with Gaussian-Wishart processes. © 2017, The International Biometric Society.
MacKenzie, Anne I.; Rao, Sadasiva M.; Baginski, Michael E.
2007-01-01
A pair of basis functions is presented for the surface integral, method of moment solution of scattering by arbitrarily-shaped, three-dimensional dielectric bodies. Equivalent surface currents are represented by orthogonal unit pulse vectors in conjunction with triangular patch modeling. The electric field integral equation is employed with closed geometries for dielectric bodies; the method may also be applied to conductors. Radar cross section results are shown for dielectric bodies having canonical spherical, cylindrical, and cubic shapes. Pulse basis function results are compared to results by other methods.
A discrete spherical X-ray transform of orientation distribution functions using bounding cubes
DEFF Research Database (Denmark)
Kazantsev, Ivan G; Schmidt, Søren; Poulsen, Henning Friis
2009-01-01
We investigate a cubed sphere parametrization of orientation space with the aim of constructing a discrete voxelized version of the spherical x-ray transform. For tracing the propagation of a unit great circle through the partition subsets, the frustums of the cubed sphere, a fast procedure...
Czech Academy of Sciences Publication Activity Database
Fiorenza, A.; Gogatishvili, Amiran; Kopaliani, T.
2013-01-01
Roč. 100, č. 5 (2013), s. 465-472 ISSN 0003-889X R&D Projects: GA ČR GA201/08/0383; GA ČR GA13-14743S Institutional support: RVO:67985840 Keywords : spherical maximal function * variable Lebesque spaces * boundedness result Subject RIV: BA - General Mathematics Impact factor: 0.479, year: 2013 http://link.springer.com/article/10.1007/s00013-013-0509-0
Bruni, S.; Llombart Juan, N.; Neto, A.; Gerini, G.; Maci, S.
2004-01-01
A general algorithm for the analysis of microstrip coupled leaky wave slot antennas was discussed. The method was based on the construction of physically appealing entire domain Methods of Moments (MoM) basis function that allowed a consistent reduction of the number of unknowns and of total
Organisms modeling: The question of radial basis function networks
Directory of Open Access Journals (Sweden)
Muzy Alexandre
2014-01-01
Full Text Available There exists usually a gap between bio-inspired computational techniques and what biologists can do with these techniques in their current researches. Although biology is the root of system-theory and artifical neural networks, computer scientists are tempted to build their own systems independently of biological issues. This publication is a first-step re-evalution of an usual machine learning technique (radial basis funtion(RBF networks in the context of systems and biological reactive organisms.
Laplacian eigenmodes for spherical spaces
International Nuclear Information System (INIS)
Lachieze-Rey, M; Caillerie, S
2005-01-01
The possibility that our space is multi-rather than singly-connected has gained renewed interest after the discovery of the low power for the first multipoles of the CMB by WMAP. To test the possibility that our space is a multi-connected spherical space, it is necessary to know the eigenmodes of such spaces. Except for lens and prism space, and to some extent for dodecahedral space, this remains an open problem. Here we derive the eigenmodes of all spherical spaces. For dodecahedral space, the demonstration is much shorter, and the calculation method much simpler than before. We also apply our method to tetrahedric, octahedric and icosahedric spaces. This completes the knowledge of eigenmodes for spherical spaces, and opens the door to new observational tests of the cosmic topology. The vector space V k of the eigenfunctions of the Laplacian on the 3-sphere S 3 , corresponding to the same eigenvalue λ k = -k(k + 2), has dimension (k + 1) 2 . We show that the Wigner functions provide a basis for such a space. Using the properties of the latter, we express the behaviour of a general function of V k under an arbitrary rotation G of SO(4). This offers the possibility of selecting those functions of V k which remain invariant under G. Specifying G to be a generator of the holonomy group of a spherical space X, we give the expression of the vector space V x k of the eigenfunctions of X. We provide a method to calculate the eigenmodes up to an arbitrary order. As an illustration, we give the first modes for the spherical spaces mentioned
52 Sociocultural Competence as a Basis for Functional Education: A ...
African Journals Online (AJOL)
User
2010-10-17
Oct 17, 2010 ... This paper examines the relevance of socio-cultural competence in functional ... non-material expressions of the people as well as the processes with which .... themselves in all kinds of immorality, smoking, stealing, drug ...
Studies in the method of correlated basis functions. Pt. 3
International Nuclear Information System (INIS)
Krotscheck, E.; Clark, J.W.
1980-01-01
A variational theory of pairing phenomena is presented for systems like neutron matter and liquid 3 He. The strong short-range correlations among the particles in these systems are incorporated into the trial states describing normal and pair-condensed phases, via a correlation operator F. The resulting theory has the same basic structure as that ordinarily applied for weak two-body interactions; in place of the pairing matrix elements of the bare interaction one finds certain effective pairing matrix elements Psub(kl), and modified single particle energies epsilon (k) appear. Detailed prescriptions are given for the construction of the Psub(kl) and epsilon (k) in terms of off-diagonal and diagonal matrix elements of the Hamiltonian and unit operators in a correlated basis of normal states. An exact criterion for instability of the assumed normal phase with respect to pair condensation is derived for general F. This criterion is investigated numerically for the special case if Jastrow correlations, the required normal-state quantities being evaluated by integral equation techniques which extend the Fermi hypernetted-chain scheme. In neutron matter, an instability with respect to 1 S 0 pairing is found in the low-density region, in concert with the predictions of Yang and Clark. In liquid 3 He, there is some indication of a 3 P 0 pairing instability in the vicinity of the experimental equilibrium density. (orig.)
Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik
2018-03-01
A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.
Directory of Open Access Journals (Sweden)
Yunfeng Wu
2014-01-01
Full Text Available This paper presents a novel adaptive linear and normalized combination (ALNC method that can be used to combine the component radial basis function networks (RBFNs to implement better function approximation and regression tasks. The optimization of the fusion weights is obtained by solving a constrained quadratic programming problem. According to the instantaneous errors generated by the component RBFNs, the ALNC is able to perform the selective ensemble of multiple leaners by adaptively adjusting the fusion weights from one instance to another. The results of the experiments on eight synthetic function approximation and six benchmark regression data sets show that the ALNC method can effectively help the ensemble system achieve a higher accuracy (measured in terms of mean-squared error and the better fidelity (characterized by normalized correlation coefficient of approximation, in relation to the popular simple average, weighted average, and the Bagging methods.
New MoM code incorporating multiple domain basis functions
CSIR Research Space (South Africa)
Lysko, AA
2011-08-01
Full Text Available piecewise linear approximation of geometry. This often leads to an unnecessarily great number of unknowns used to model relatively small loop and spiral antennas, coils and other curved structures. This is because the program creates a dense mesh... to accelerate computation of the elements of the impedance matrix and showed acceleration factor exceeding an order of magnitude, subject to a high accuracy requirement. 3. On Code Functionality and Application Results The package of programs was written...
Avian magnetic compass: Its functional properties and physical basis
Directory of Open Access Journals (Sweden)
Roswitha WILTSCHKO, Wolfgang WILTSCHKO
2010-06-01
Full Text Available The avian magnetic compass was analyzed in bird species of three different orders – Passeriforms, Columbiforms and Galliforms – and in three different behavioral contexts, namely migratory orientation, homing and directional conditioning. The respective findings indicate similar functional properties: it is an inclination compass that works only within a functional window around the ambient magnetic field intensity; it tends to be lateralized in favor of the right eye, and it is wavelength-dependent, requiring light from the short-wavelength range of the spectrum. The underlying physical mechanisms have been identified as radical pair processes, spin-chemical reactions in specialized photopigments. The iron-based receptors in the upper beak do not seem to be involved. The existence of the same type of magnetic compass in only very distantly related bird species suggests that it may have been present already in the common ancestors of all modern birds, where it evolved as an all-purpose compass mechanism for orientation within the home range [Current Zoology 56 (3: 265–276, 2010].
International Nuclear Information System (INIS)
Brown, James; Carrington, Tucker
2016-01-01
In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier’s symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.
Brown, James; Carrington, Tucker
2016-06-28
In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier's symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.
Freeden, Willi; Schreiner, Michael
2018-01-01
This book presents, in a consistent and unified overview, results and developments in the field of today´s spherical sampling, particularly arising in mathematical geosciences. Although the book often refers to original contributions, the authors made them accessible to (graduate) students and scientists not only from mathematics but also from geosciences and geoengineering. Building a library of topics in spherical sampling theory it shows how advances in this theory lead to new discoveries in mathematical, geodetic, geophysical as well as other scientific branches like neuro-medicine. A must-to-read for everybody working in the area of spherical sampling.
Maaskant, R.; Mittra, R.; Tijhuis, A.G.; Graglia, R.D.
2007-01-01
This paper describes a novel technique for generating the characteristic basis functions (CBFs) used to represent the surface currents on finite arrays of electrically interconnected antenna elements. The CBFs are high-level basis functions, defined on subdomains in which the original problem is
The Neural Basis of Typewriting: A Functional MRI Study.
Higashiyama, Yuichi; Takeda, Katsuhiko; Someya, Yoshiaki; Kuroiwa, Yoshiyuki; Tanaka, Fumiaki
2015-01-01
To investigate the neural substrate of typewriting Japanese words and to detect the difference between the neural substrate of typewriting and handwriting, we conducted a functional magnetic resonance imaging (fMRI) study in 16 healthy volunteers. All subjects were skillful touch typists and performed five tasks: a typing task, a writing task, a reading task, and two control tasks. Three brain regions were activated during both the typing and the writing tasks: the left superior parietal lobule, the left supramarginal gyrus, and the left premotor cortex close to Exner's area. Although typing and writing involved common brain regions, direct comparison between the typing and the writing task revealed greater left posteromedial intraparietal cortex activation in the typing task. In addition, activity in the left premotor cortex was more rostral in the typing task than in the writing task. These findings suggest that, although the brain circuits involved in Japanese typewriting are almost the same as those involved in handwriting, there are brain regions that are specific for typewriting.
The Neural Basis of Typewriting: A Functional MRI Study.
Directory of Open Access Journals (Sweden)
Yuichi Higashiyama
Full Text Available To investigate the neural substrate of typewriting Japanese words and to detect the difference between the neural substrate of typewriting and handwriting, we conducted a functional magnetic resonance imaging (fMRI study in 16 healthy volunteers. All subjects were skillful touch typists and performed five tasks: a typing task, a writing task, a reading task, and two control tasks. Three brain regions were activated during both the typing and the writing tasks: the left superior parietal lobule, the left supramarginal gyrus, and the left premotor cortex close to Exner's area. Although typing and writing involved common brain regions, direct comparison between the typing and the writing task revealed greater left posteromedial intraparietal cortex activation in the typing task. In addition, activity in the left premotor cortex was more rostral in the typing task than in the writing task. These findings suggest that, although the brain circuits involved in Japanese typewriting are almost the same as those involved in handwriting, there are brain regions that are specific for typewriting.
Factorization of products of discontinuous functions applied to Fourier-Bessel basis.
Popov, Evgeny; Nevière, Michel; Bonod, Nicolas
2004-01-01
The factorization rules of Li [J. Opt. Soc. Am. A 13, 1870 (1996)] are generalized to a cylindrical geometry requiring the use of a Bessel function basis. A theoretical study confirms the validity of the Laurent rule when a product of two continuous functions or of one continuous and one discontinuous function is factorized. The necessity of applying the so-called inverse rule in factorizing a continuous product of two discontinuous functions in a truncated basis is demonstrated theoretically and numerically.
Cohen, Taco S.; Geiger, Mario; Koehler, Jonas; Welling, Max
2018-01-01
Convolutional Neural Networks (CNNs) have become the method of choice for learning problems involving 2D planar images. However, a number of problems of recent interest have created a demand for models that can analyze spherical images. Examples include omnidirectional vision for drones, robots, and autonomous cars, molecular regression problems, and global weather and climate modelling. A naive application of convolutional networks to a planar projection of the spherical signal is destined t...
The Spherical Deformation Model
DEFF Research Database (Denmark)
Hobolth, Asgar
2003-01-01
Miller et al. (1994) describe a model for representing spatial objects with no obvious landmarks. Each object is represented by a global translation and a normal deformation of a sphere. The normal deformation is defined via the orthonormal spherical-harmonic basis. In this paper we analyse the s...
Explicit appropriate basis function method for numerical solution of stiff systems
International Nuclear Information System (INIS)
Chen, Wenzhen; Xiao, Hongguang; Li, Haofeng; Chen, Ling
2015-01-01
Highlights: • An explicit numerical method called the appropriate basis function method is presented. • The method differs from the power series method for obtaining approximate numerical solutions. • Two cases show the method is fit for linear and nonlinear stiff systems. • The method is very simple and effective for most of differential equation systems. - Abstract: In this paper, an explicit numerical method, called the appropriate basis function method, is presented. The explicit appropriate basis function method differs from the power series method because it employs an appropriate basis function such as the exponential function, or periodic function, other than a polynomial, to obtain approximate numerical solutions. The method is successful and effective for the numerical solution of the first order ordinary differential equations. Two examples are presented to show the ability of the method for dealing with linear and nonlinear systems of differential equations
Hellweg, Arnim; Rappoport, Dmitrij
2015-01-14
We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.
Directory of Open Access Journals (Sweden)
Wolf-Dieter Richter
2017-07-01
Full Text Available For evaluating the probabilities of arbitrary random events with respect to a given multivariate probability distribution, specific techniques are of great interest. An important two-dimensional high risk limit law is the Gauss-exponential distribution whose probabilities can be dealt with based on the Gauss–Laplace law. The latter will be considered here as an element of the newly-introduced family of ( p , q -spherical distributions. Based on a suitably-defined non-Euclidean arc-length measure on ( p , q -circles, we prove geometric and stochastic representations of these distributions and correspondingly distributed random vectors, respectively. These representations allow dealing with the new probability measures similarly to with elliptically-contoured distributions and more general homogeneous star-shaped ones. This is demonstrated by the generalization of the Box–Muller simulation method. In passing, we prove an extension of the sector and circle number functions.
International Nuclear Information System (INIS)
Xue, Xiaopan; Tian, Jianhua; Liao, Wenming; Shan, Zhongqiang
2014-01-01
Highlights: • Spherical anatase TiO 2 covered with nanospindles (SNS) were employed in DSSCs. • SNS possess the dual functions of light scattering and high dye loading. • SNS were fabricated through a facile hydrothermal treatment of the precursors. • Precursors were synthesized by controlled hydrolysis of TBT after being diluted. • The cells based on SNS-18/P25 photoanode exhibited advanced performance. - Abstract: Spherical anatase TiO 2 covered with nanospindles (SNS) were fabricated through a facile hydrothermal treatment of precursors in the presence of ammonia. The precursors were synthesized by controlling hydrolysis rate of TBT (tetrabutyl titanate) in ethanol. Organic structure directing agents and toxic reagents were avoided in the two–step process. By scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD), it is confirmed that the morphology and structure of the products can be controlled by adjusting hydrothermal treatment conditions. Time dependent trails revealed the growth mechanism of SNS, which indicating that ammonia can not only retard the dissolution of precursors but also make TiO 2 grow selectively along the direction. Furthermore, photocurrent-potential (I-V) curves show that the solar cells fabricated with the SNS collected after 18 h hydrothermal treatment (SNS-18) exhibit the highest solar energy conversion efficiency. The efficiency is improved by 24.5% compared with that of the cells fabricated with pure P25. Based on the UV-Vis spectrum, nitrogen sorption and IPCE analysis, the improved performance can be attributed to the enhanced scattering and increased active sites for dye loading. Therefore, the dual functions of light scattering and many active sites for dye loading make SNS superior candidates for DSSCs
International Nuclear Information System (INIS)
Kotasidis, Fotis A.; Zaidi, Habib
2014-01-01
Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function
Accurate correlation energies in one-dimensional systems from small system-adapted basis functions
Baker, Thomas E.; Burke, Kieron; White, Steven R.
2018-02-01
We propose a general method for constructing system-dependent basis functions for correlated quantum calculations. Our construction combines features from several traditional approaches: plane waves, localized basis functions, and wavelets. In a one-dimensional mimic of Coulomb systems, it requires only 2-3 basis functions per electron to achieve high accuracy, and reproduces the natural orbitals. We illustrate its effectiveness for molecular energy curves and chains of many one-dimensional atoms. We discuss the promise and challenges for realistic quantum chemical calculations.
Multiscale finite element methods for high-contrast problems using local spectral basis functions
Efendiev, Yalchin
2011-02-01
In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.
Three-Dimensional Visualization of Wave Functions for Rotating Molecule: Plot of Spherical Harmonics
Nagaoka, Shin-ichi; Teramae, Hiroyuki; Nagashima, Umpei
2013-01-01
At an early stage of learning quantum chemistry, undergraduate students usually encounter the concepts of the particle in a box, the harmonic oscillator, and then the particle on a sphere. Rotational levels of a diatomic molecule can be well approximated by the energy levels of the particle on a sphere. Wave functions for the particle in a…
Energy Technology Data Exchange (ETDEWEB)
Dowker, J S, E-mail: dowker@man.ac.uk [Theory Group, School of Physics and Astronomy, University of Manchester, Manchester (United Kingdom)
2011-08-07
A piston is introduced into a spherical lune Casimir cavity turning it into two adjacent lunes separated by the (hemispherical) piston. On the basis of zeta-function regularization, the vacuum energy of the arrangement is finite for conformal propagation in spacetime. For even spheres this energy is independent of the angle of the lune. For odd dimensions it is shown that for all Neumann, or all Dirichlet, boundary conditions the piston is repelled or attracted by the nearest wall if d = 3, 7, ... or if d = 1, 5, ... , respectively. For hybrid N-D conditions these requirements are switched. If a mass is added, divergences arise which render the model suspect. The analysis, however, is relatively straightforward and involves the Barnes zeta function. The extension to finite temperatures is made and it is shown that for the 3, 7, ... series of odd spheres, the repulsion by the walls continues but that, above a certain temperature, the free energy acquires two minima symmetrically placed about the midpoint.
International Nuclear Information System (INIS)
Dowker, J S
2011-01-01
A piston is introduced into a spherical lune Casimir cavity turning it into two adjacent lunes separated by the (hemispherical) piston. On the basis of zeta-function regularization, the vacuum energy of the arrangement is finite for conformal propagation in spacetime. For even spheres this energy is independent of the angle of the lune. For odd dimensions it is shown that for all Neumann, or all Dirichlet, boundary conditions the piston is repelled or attracted by the nearest wall if d = 3, 7, ... or if d = 1, 5, ... , respectively. For hybrid N-D conditions these requirements are switched. If a mass is added, divergences arise which render the model suspect. The analysis, however, is relatively straightforward and involves the Barnes zeta function. The extension to finite temperatures is made and it is shown that for the 3, 7, ... series of odd spheres, the repulsion by the walls continues but that, above a certain temperature, the free energy acquires two minima symmetrically placed about the midpoint.
Directory of Open Access Journals (Sweden)
Yuri B. Tebekin
2011-11-01
Full Text Available The article is devoted to the problem of the quality management for multiphase processes on the basis of the probabilistic approach. Method with continuous response functions is offered from the application of the method of Lagrange multipliers.
Fundamentals of spherical array processing
Rafaely, Boaz
2015-01-01
This book provides a comprehensive introduction to the theory and practice of spherical microphone arrays. It is written for graduate students, researchers and engineers who work with spherical microphone arrays in a wide range of applications. The first two chapters provide the reader with the necessary mathematical and physical background, including an introduction to the spherical Fourier transform and the formulation of plane-wave sound fields in the spherical harmonic domain. The third chapter covers the theory of spatial sampling, employed when selecting the positions of microphones to sample sound pressure functions in space. Subsequent chapters present various spherical array configurations, including the popular rigid-sphere-based configuration. Beamforming (spatial filtering) in the spherical harmonics domain, including axis-symmetric beamforming, and the performance measures of directivity index and white noise gain are introduced, and a range of optimal beamformers for spherical arrays, includi...
A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.
Huertas, Ismael; Oldehinkel, Marianne; van Oort, Erik S B; Garcia-Solis, David; Mir, Pablo; Beckmann, Christian F; Marquand, Andre F
2017-11-01
The dominant approach to neuroimaging data analysis employs the voxel as the unit of computation. While convenient, voxels lack biological meaning and their size is arbitrarily determined by the resolution of the image. Here, we propose a multivariate spatial model in which neuroimaging data are characterised as a linearly weighted combination of multiscale basis functions which map onto underlying brain nuclei or networks or nuclei. In this model, the elementary building blocks are derived to reflect the functional anatomy of the brain during the resting state. This model is estimated using a Bayesian framework which accurately quantifies uncertainty and automatically finds the most accurate and parsimonious combination of basis functions describing the data. We demonstrate the utility of this framework by predicting quantitative SPECT images of striatal dopamine function and we compare a variety of basis sets including generic isotropic functions, anatomical representations of the striatum derived from structural MRI, and two different soft functional parcellations of the striatum derived from resting-state fMRI (rfMRI). We found that a combination of ∼50 multiscale functional basis functions accurately represented the striatal dopamine activity, and that functional basis functions derived from an advanced parcellation technique known as Instantaneous Connectivity Parcellation (ICP) provided the most parsimonious models of dopamine function. Importantly, functional basis functions derived from resting fMRI were more accurate than both structural and generic basis sets in representing dopamine function in the striatum for a fixed model order. We demonstrate the translational validity of our framework by constructing classification models for discriminating parkinsonian disorders and their subtypes. Here, we show that ICP approach is the only basis set that performs well across all comparisons and performs better overall than the classical voxel-based approach
Spherical and polygonal shape of Au nanoparticles coated functionalized polymer microspheres
Energy Technology Data Exchange (ETDEWEB)
Xu, Ting; Li, Yingzhi; Zhang, Junxian; Qi, Yalong; Zhao, Xin; Zhang, Qinghua, E-mail: qhzhang@dhu.edu.cn
2015-08-01
Highlights: • PS/PPy with well-defined core/shell structures was prepared in aqueous solution. • Au NPs were coated on PS/PPy by the fixation and continuous growth process. • Mercapto-groups played a role in the number and morphology of Au shell. • PS/PPy/Au had homogeneous and dense Au coatings with different shape. - Abstract: Uniform polystyrene (PS)/polypyrrole (PPy) composite microspheres with well-defined core/shell structures are synthesized by chemical oxidative polymerization. Gold nanoparticles (Au NPs) are successfully coated on the surface of PS/PPy microspheres by means of electrostatic interactions due to the functionalized PPy coatings supplying sufficient amino groups and the additive of mercapto acetic acid. Furthermore, the as-prepared PS/PPy/Au microspheres serving as seeds facilitate Au NPs further growth by in situ reduction in HAuCl{sub 4} solution to obtain PS/PPy/Au spheres with the core/shell/shell structure. Morphology observation demonstrates that the monodisperse PS/PPy/Au microspheres compose of uniform cores and the compact coatings containing distinct two layers. X-ray diffraction and X-ray photoelectron spectroscope confirm the existence of PPy and Au on the surface of the composite spheres. This facile approach to preparing metal-coated polymer spheres supplies the potential applications in biosensors, electronics and medical diagnosis.
Nonlinear System Identification via Basis Functions Based Time Domain Volterra Model
Directory of Open Access Journals (Sweden)
Yazid Edwar
2014-07-01
Full Text Available This paper proposes basis functions based time domain Volterra model for nonlinear system identification. The Volterra kernels are expanded by using complex exponential basis functions and estimated via genetic algorithm (GA. The accuracy and practicability of the proposed method are then assessed experimentally from a scaled 1:100 model of a prototype truss spar platform. Identification results in time and frequency domain are presented and coherent functions are performed to check the quality of the identification results. It is shown that results between experimental data and proposed method are in good agreement.
The Spherical Deformation Model
DEFF Research Database (Denmark)
Hobolth, Asgar
2003-01-01
Miller et al. (1994) describe a model for representing spatial objects with no obvious landmarks. Each object is represented by a global translation and a normal deformation of a sphere. The normal deformation is defined via the orthonormal spherical-harmonic basis. In this paper we analyse the s...... a single central section of the object. We use maximum-likelihood-based inference for this purpose and demonstrate the suggested methods on real data....
Satisfiability of logic programming based on radial basis function neural networks
International Nuclear Information System (INIS)
Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong
2014-01-01
In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems
Satisfiability of logic programming based on radial basis function neural networks
Energy Technology Data Exchange (ETDEWEB)
Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2014-07-10
In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems.
International Nuclear Information System (INIS)
Serenjeh, Fariba Nazari; Hashemi, Payman; Ghiasvand, Ali Reza; Naeimi, Hossein; Zakerzadeh, Elham
2016-01-01
The authors describe a method for magnetic solid phase extraction of uranyl ions from water samples. It is based on the use of spherical agarose-coated magnetic nanoparticles along with magnetic field agitation. The salen type Schiff base N,N’-bis(4-hydroxysalicylidene)-1,2-phenylenediamine was synthesized from resorcinol in two steps and characterized by infrared and nucleic magnetic resonance spectroscopies. The particles were then activated by an epichlorohydrin method and functionalized with the Schiff base which acts as a selective ligand for the extraction of UO 2 (II). Following preconcentration and elution with HCl, the ions were quantified by spectrophotometry using Arsenazo III as the indicator. The effects of pH value, ionic strength and amount of the adsorbent on the extraction of UO 2 (II) were optimized by a multivariate central composite design method. Six replicate analyses under optimized conditions resulted in a recovery of 96.6 % with a relative standard deviation of 3.4 % for UO 2 (II). The detection limit of the method (at a signal-to-noise ratio of 3σ) is 10 μg L -1 . The method was successfully applied to the determination of UO 2 (II) in spiked water samples. (author)
International Nuclear Information System (INIS)
Wiegel, B.; Alevra, A.V.; Siebert, B.R.L.
1994-11-01
A realistic geometry model of a Bonner sphere system with a spherical 3 He-filled proportional counter and 12 polyethylene moderating spheres with diameters ranging from 7,62 cm (3'') to 45,72 cm (18'') is introduced. The MCNP Monte Carlo computer code is used to calculate the responses of this Bonner sphere system to monoenergetic neutrons in the energy range between 1 meV to 20 MeV. The relative uncertainties of the responses due to the Monte Carlo calculations are less than 1% for spheres up to 30,48 cm (12'') in diameter and less than 2% for the 15'' and 18'' spheres. Resonances in the carbon cross section are seen as significant structures in the response functions. Additional calculations were made to study the influence of the 3 He number density and the polyethylene mass density on the response as well as the angular dependence of the Bonner sphere system. The calculated responses can be adjusted to a large set of calibration measurements with only a single fit factor common to all sphere diameters and energies. (orig.) [de
Directory of Open Access Journals (Sweden)
Szu-Yu Chiu
2017-01-01
Full Text Available Glass-ionomer-cement (GIC is helpful in Minimal Intervention Dentistry because it releases fluoride ions and is highly biocompatible. The aim of this study is to investigate the mechanisms by which hydroxyapatite (HAp improves the mechanical strength and bioactive functioning of GIC when these materials are combined to make apatite ionomer cement (AIC. A conventional GIC powder was mixed with porous, spherical-HAp particles (HApS, crystalline HAp (HAp200 or one of two types of cellulose. The micro-compressive strengths of the additive particles were measured, and various specimens were evaluated with regard to their compressive strengths (CS, fluoride release concentrations (fluoride electrode and multi-element release concentrations. The AIC was found to release higher concentrations of fluoride (1.2 times and strontium ions (1.5 times compared to the control GIC. It was detected the more release of calcium originated from HApS than HAp200 in AIC. The CS of the AIC incorporating an optimum level of HAp was also significantly higher than that of the GIC. These results suggest that adding HAp can increase the release concentration of ions required for remineralization while maintaining the CS of the GIC. This effect does not result from a physical phenomenon, but rather from chemical reactions between the HAp and polyacrylic acid of GIC.
Modeling multivariate time series on manifolds with skew radial basis functions.
Jamshidi, Arta A; Kirby, Michael J
2011-01-01
We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.
Bruni, S.; Llombart, N.; Neto, A.; Gerini, G.; Maci, S.
2004-01-01
A method is proposed for the analysis of arrays of linear printed antennas. After the formulation of pertinent set of integral equations, the appropriate equivalent currents of the Method of Moments are represented in terms of two sets of entire domain basis functions. These functions synthesize on
Schmidt, J.; Piret, C.; Zhang, N.; Kadlec, B. J.; Liu, Y.; Yuen, D. A.; Wright, G. B.; Sevre, E. O.
2008-12-01
The faster growth curves in the speed of GPUs relative to CPUs in recent years and its rapidly gained popularity has spawned a new area of development in computational technology. There is much potential in utilizing GPUs for solving evolutionary partial differential equations and producing the attendant visualization. We are concerned with modeling tsunami waves, where computational time is of extreme essence, for broadcasting warnings. In order to test the efficacy of the GPU on the set of shallow-water equations, we employed the NVIDIA board 8600M GT on a MacBook Pro. We have compared the relative speeds between the CPU and the GPU on a single processor for two types of spatial discretization based on second-order finite-differences and radial basis functions. RBFs are a more novel method based on a gridless and a multi- scale, adaptive framework. Using the NVIDIA 8600M GT, we received a speed up factor of 8 in favor of GPU for the finite-difference method and a factor of 7 for the RBF scheme. We have also studied the atmospheric dynamics problem of swirling flows over a spherical surface and found a speed-up of 5.3 using the GPU. The time steps employed for the RBF method are larger than those used in finite-differences, because of the much fewer number of nodal points needed by RBF. Thus, in modeling the same physical time, RBF acting in concert with GPU would be the fastest way to go.
Energy Technology Data Exchange (ETDEWEB)
Schrage, Christian; Modrow, Antje; Fichtner, Sven; Giebelhausen, Jann Michael [Bluecher GmbH, Premnitz (Germany); Boehringer, Bertram [Bluecher GmbH, Erkrath (Germany)
2014-02-15
Polymer-based spherical activated carbon (PBSAC) can be functionalized through the integration of reactive compounds. This offers new fields of applications for this adsorbent material. Impregnated PBSAC can be used as broadband sorbent material for respiratory protection, and for removal of certain metals from water, while the integration of nitrogen leads to a material suitable for the clean-up of gases. Functionalization through oxidation or integration of nitrogen atoms enables the concentration of valuable resources like uranium or gold.
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter
2004-01-01
An efficient higher-order method of moments (MoM) solution of volume integral equations is presented. The higher-order MoM solution is based on higher-order hierarchical Legendre basis functions and higher-order geometry modeling. An unstructured mesh composed of 8-node trilinear and/or curved 27...... of magnitude in comparison to existing higher-order hierarchical basis functions. Consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement with the analytical Mie series solution for a dielectric sphere as well as with results obtained...
Exponential Convergence for Numerical Solution of Integral Equations Using Radial Basis Functions
Directory of Open Access Journals (Sweden)
Zakieh Avazzadeh
2014-01-01
Full Text Available We solve some different type of Urysohn integral equations by using the radial basis functions. These types include the linear and nonlinear Fredholm, Volterra, and mixed Volterra-Fredholm integral equations. Our main aim is to investigate the rate of convergence to solve these equations using the radial basis functions which have normic structure that utilize approximation in higher dimensions. Of course, the use of this method often leads to ill-posed systems. Thus we propose an algorithm to improve the results. Numerical results show that this method leads to the exponential convergence for solving integral equations as it was already confirmed for partial and ordinary differential equations.
Institute of Scientific and Technical Information of China (English)
ZHENG Guangguo; ZHOU Dongsheng; WEI Xiaopeng; ZHANG Qiang
2012-01-01
Compactly supported radial basis function can enable the coefficient matrix of solving weigh linear system to have a sparse banded structure, thereby reducing the complexity of the algorithm. Firstly, based on the compactly supported radial basis function, the paper makes the complex quadratic function （Multiquadric, MQ for short） to be transformed and proposes a class of compactly supported MQ function. Secondly, the paper describes a method that interpolates discrete motion capture data to solve the motion vectors of the interpolation points and they are used in facial expression reconstruction. Finally, according to this characteris- tic of the uneven distribution of the face markers, the markers are numbered and grouped in accordance with the density level, and then be interpolated in line with each group. The approach not only ensures the accuracy of the deformation of face local area and smoothness, but also reduces the time complexity of computing.
Fast generation of macro basis functions for LEGO through the adaptive cross approximation
Lancellotti, V.
2015-01-01
We present a method for the fast generation of macro basis functions in the context of the linear embedding via Green's operators approach (LEGO) which is a domain decomposition technique based on the combination of electromagnetic bricks in turn described by means of scattering operators. We show
Method of applying single higher order polynomial basis function over multiple domains
CSIR Research Space (South Africa)
Lysko, AA
2010-03-01
Full Text Available A novel method has been devised where one set of higher order polynomial-based basis functions can be applied over several wire segments, thus permitting to decouple the number of unknowns from the number of segments, and so from the geometrical...
Ryu, Duchwan; Liang, Faming; Mallick, Bani K.
2013-01-01
be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle
New Method for Mesh Moving Based on Radial Basis Function Interpolation
De Boer, A.; Van der Schoot, M.S.; Bijl, H.
2006-01-01
A new point-by-point mesh movement algorithm is developed for the deformation of unstructured grids. The method is based on using radial basis function, RBFs, to interpolate the displacements of the boundary nodes to the whole flow mesh. A small system of equations has to be solved, only involving
Least square fitting of low resolution gamma ray spectra with cubic B-spline basis functions
International Nuclear Information System (INIS)
Zhu Menghua; Liu Lianggang; Qi Dongxu; You Zhong; Xu Aoao
2009-01-01
In this paper, the least square fitting method with the cubic B-spline basis functions is derived to reduce the influence of statistical fluctuations in the gamma ray spectra. The derived procedure is simple and automatic. The results show that this method is better than the convolution method with a sufficient reduction of statistical fluctuation. (authors)
A metric for the Radial Basis Function Network - Application on Real Radar Data
Heiden, R. van der; Groen, F.C.A.
1996-01-01
A Radial Basis Functions (RBF) network for pattern recognition is considered. Classification with such a network is based on distances between patterns, so a metric is always present. Using real radar data, the Euclidean metric is shown to perform poorly - a metric based on the so called Box-Cox
MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions
Novosad, Philip; Reader, Andrew J.
2016-06-01
Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [18F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral
Telles, J. E.; de Souza, R. E.; Penereiro, J. C.
1990-11-01
RESUMEN. Presentamos fotometria fotografica de 8 objetos y espectrosco- pla para 3 galaxias, las cuales son buenos candidatos para galaxias esfericas. Los resultados fotometricos se presentan en la forma de iso- fotas y de perfiles radiales promedlo, de los cuales se derivan para- metros estructurales. Estas observaciones combinadas con parametros di- namicos obtenidos de observaciones espectrosc6picas, son consistentes con el plano fundamental derivado por Djorgovski y Davis (1987). ABSTRACT. We present photographic surface photometry for 8 objects and spectroscopy for 3 galaxies which are good candidates for spherical galaxies. Photometric results are presented in the form of isophotes and mean radial profiles from which we derived structural parameters. These observations combined with dynamical parameters obtained from spectroscopic observations are consistent with the fundamental plane derived by Djorgovski and Davis (1987). Keq wo : CALAXIES-ELLIPTICAL
A conceptual basis to encode and detect organic functional groups in XML.
Sankar, Punnaivanam; Krief, Alain; Vijayasarathi, Durairaj
2013-06-01
A conceptual basis to define and detect organic functional groups is developed. The basic model of a functional group is termed as a primary functional group and is characterized by a group center composed of one or more group center atoms bonded to terminal atoms and skeletal carbon atoms. The generic group center patterns are identified from the structures of known functional groups. Accordingly, a chemical ontology 'Font' is developed to organize the existing functional groups as well as the new ones to be defined by the chemists. The basic model is extended to accommodate various combinations of primary functional groups as functional group assemblies. A concept of skeletal group is proposed to define the characteristic groups composed of only carbon atoms to be regarded as equivalent to functional groups. The combination of primary functional groups with skeletal groups is categorized as skeletal group assembly. In order to make the model suitable for reaction modeling purpose, a Graphical User Interface (GUI) is developed to define the functional groups and to encode in XML format appropriate to detect them in chemical structures. The system is capable of detecting multiple instances of primary functional groups as well as the overlapping poly-functional groups as the respective assemblies. Copyright © 2013 Elsevier Inc. All rights reserved.
Feller, David; Dixon, David A
2018-03-08
Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.
Le, Nguyen-Quoc-Khanh; Nguyen, Trinh-Trung-Duong; Ou, Yu-Yen
2017-05-01
The electron transport proteins have an important role in storing and transferring electrons in cellular respiration, which is the most proficient process through which cells gather energy from consumed food. According to the molecular functions, the electron transport chain components could be formed with five complexes with several different electron carriers and functions. Therefore, identifying the molecular functions in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. This work includes two phases for discriminating electron transport proteins from transport proteins and classifying categories of five complexes in electron transport proteins. In the first phase, the performances from PSSM with AAIndex feature set were successful in identifying electron transport proteins in transport proteins with achieved sensitivity of 73.2%, specificity of 94.1%, and accuracy of 91.3%, with MCC of 0.64 for independent data set. With the second phase, our method can approach a precise model for identifying of five complexes with different molecular functions in electron transport proteins. The PSSM with AAIndex properties in five complexes achieved MCC of 0.51, 0.47, 0.42, 0.74, and 1.00 for independent data set, respectively. We suggest that our study could be a power model for determining new proteins that belongs into which molecular function of electron transport proteins. Copyright © 2017 Elsevier Inc. All rights reserved.
An enhanced radial basis function network for short-term electricity price forecasting
International Nuclear Information System (INIS)
Lin, Whei-Min; Gow, Hong-Jey; Tsai, Ming-Tang
2010-01-01
This paper proposed a price forecasting system for electric market participants to reduce the risk of price volatility. Combining the Radial Basis Function Network (RBFN) and Orthogonal Experimental Design (OED), an Enhanced Radial Basis Function Network (ERBFN) has been proposed for the solving process. The Locational Marginal Price (LMP), system load, transmission flow and temperature of the PJM system were collected and the data clusters were embedded in the Excel Database according to the year, season, workday and weekend. With the OED applied to learning rates in the ERBFN, the forecasting error can be reduced during the training process to improve both accuracy and reliability. This would mean that even the ''spikes'' could be tracked closely. The Back-propagation Neural Network (BPN), Probability Neural Network (PNN), other algorithms, and the proposed ERBFN were all developed and compared to check the performance. Simulation results demonstrated the effectiveness of the proposed ERBFN to provide quality information in a price volatile environment. (author)
Energy Technology Data Exchange (ETDEWEB)
Kotasidis, Fotis A., E-mail: Fotis.Kotasidis@unige.ch [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva, Switzerland and Wolfson Molecular Imaging Centre, MAHSC, University of Manchester, Manchester M20 3LJ (United Kingdom); Zaidi, Habib [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva (Switzerland); Geneva Neuroscience Centre, Geneva University, CH-1205 Geneva (Switzerland); Department of Nuclear Medicine and Molecular Imaging, University of Groningen, University Medical Center Groningen, Groningen, 9700 RB (Netherlands)
2014-06-15
Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis
Machine learning of radial basis function neural network based on Kalman filter: Introduction
Directory of Open Access Journals (Sweden)
Vuković Najdan L.
2014-01-01
Full Text Available This paper analyzes machine learning of radial basis function neural network based on Kalman filtering. Three algorithms are derived: linearized Kalman filter, linearized information filter and unscented Kalman filter. We emphasize basic properties of these estimation algorithms, demonstrate how their advantages can be used for optimization of network parameters, derive mathematical models and show how they can be applied to model problems in engineering practice.
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav
2007-01-01
The problem of electromagnetic scattering by composite metallic and dielectric objects is solved using the coupled volume-surface integral equation (VSIE). The method of moments (MoM) based on higher-order hierarchical Legendre basis functions and higher-order curvilinear geometrical elements...... with the analytical Mie series solution. Scattering by more complex metal-dielectric objects are also considered to compare the presented technique with other numerical methods....
Burken, John J.
2005-01-01
This viewgraph presentation reviews the use of a Robust Servo Linear Quadratic Regulator (LQR) and a Radial Basis Function (RBF) Neural Network in reconfigurable flight control designs in adaptation to a aircraft part failure. The method uses a robust LQR servomechanism design with model Reference adaptive control, and RBF neural networks. During the failure the LQR servomechanism behaved well, and using the neural networks improved the tracking.
Application of natural basis functions to soft x-ray tomography
International Nuclear Information System (INIS)
Ingesson, L.
2000-03-01
Natural basis functions (NBFs), also known as natural pixels in the literature, have been applied in tomographic reconstructions of simulated measurements for the JET soft x-ray system, which has a total of about 200 detectors spread over 6 directions. Various types of NBFs, i.e. normal, generalized and orthonormal NBFs, are reviewed. The number of basis functions is roughly equal to the number of measurements. Therefore, little a priori information is required as regularization and truncated singular-value decomposition can be used for the tomographic inversion. The results of NBFs are compared with reconstructions by the same solution technique using local basis functions (LBFs), and with the reconstructions of a conventional constrained-optimization tomography method with many more LBFs that requires more a priori information. Although the results of the conventional method are superior due to the a priori information, the results of the NBF and other LBF methods are reasonable and show the main features. Therefore, NBFs are a promising way to assess whether features in reconstructions are real or artefacts resulting from the a priori information. Of the NBFs, regular triangular (generalized) NBFs give the most acceptable reconstructions, much better than traditional square pixels, although the reconstructions with pyramid-shaped LBFs are also reasonable and have slightly smaller reconstruction errors. A more-regular (virtual) viewing geometry improves the reconstructions. However, simulations with a viewing geometry with a total of 480 channels spread over 12 directions clearly show that a priori information still improves the reconstructions considerably. (author)
A prediction method for the wax deposition rate based on a radial basis function neural network
Directory of Open Access Journals (Sweden)
Ying Xie
2017-06-01
Full Text Available The radial basis function neural network is a popular supervised learning tool based on machinery learning technology. Its high precision having been proven, the radial basis function neural network has been applied in many areas. The accumulation of deposited materials in the pipeline may lead to the need for increased pumping power, a decreased flow rate or even to the total blockage of the line, with losses of production and capital investment, so research on predicting the wax deposition rate is significant for the safe and economical operation of an oil pipeline. This paper adopts the radial basis function neural network to predict the wax deposition rate by considering four main influencing factors, the pipe wall temperature gradient, pipe wall wax crystal solubility coefficient, pipe wall shear stress and crude oil viscosity, by the gray correlational analysis method. MATLAB software is employed to establish the RBF neural network. Compared with the previous literature, favorable consistency exists between the predicted outcomes and the experimental results, with a relative error of 1.5%. It can be concluded that the prediction method of wax deposition rate based on the RBF neural network is feasible.
Rational quadratic trigonometric Bézier curve based on new basis with exponential functions
Directory of Open Access Journals (Sweden)
Wu Beibei
2017-06-01
Full Text Available We construct a rational quadratic trigonometric Bézier curve with four shape parameters by introducing two exponential functions into the trigonometric basis functions in this paper. It has the similar properties as the rational quadratic Bézier curve. For given control points, the shape of the curve can be flexibly adjusted by changing the shape parameters and the weight. Some conics can be exactly represented when the control points, the shape parameters and the weight are chosen appropriately. The C0, C1 and C2 continuous conditions for joining two constructed curves are discussed. Some examples are given.
Parallel Fixed Point Implementation of a Radial Basis Function Network in an FPGA
Directory of Open Access Journals (Sweden)
Alisson C. D. de Souza
2014-09-01
Full Text Available This paper proposes a parallel fixed point radial basis function (RBF artificial neural network (ANN, implemented in a field programmable gate array (FPGA trained online with a least mean square (LMS algorithm. The processing time and occupied area were analyzed for various fixed point formats. The problems of precision of the ANN response for nonlinear classification using the XOR gate and interpolation using the sine function were also analyzed in a hardware implementation. The entire project was developed using the System Generator platform (Xilinx, with a Virtex-6 xc6vcx240t-1ff1156 as the target FPGA.
Trapani, Stefano; Navaza, Jorge
2006-07-01
The FFT calculation of spherical harmonics, Wigner D matrices and rotation function has been extended to all angular variables in the AMoRe molecular replacement software. The resulting code avoids singularity issues arising from recursive formulas, performs faster and produces results with at least the same accuracy as the original code. The new code aims at permitting accurate and more rapid computations at high angular resolution of the rotation function of large particles. Test calculations on the icosahedral IBDV VP2 subviral particle showed that the new code performs on the average 1.5 times faster than the original code.
Directory of Open Access Journals (Sweden)
Jian Hu
2016-05-01
Full Text Available Uncertainties, including parametric uncertainties and uncertain nonlinearities, always exist in positioning servo systems driven by a hydraulic actuator, which would degrade their tracking accuracy. In this article, an integrated control scheme, which combines adaptive robust control together with radial basis function neural network–based disturbance observer, is proposed for high-accuracy motion control of hydraulic systems. Not only parametric uncertainties but also uncertain nonlinearities (i.e. nonlinear friction, external disturbances, and/or unmodeled dynamics are taken into consideration in the proposed controller. The above uncertainties are compensated, respectively, by adaptive control and radial basis function neural network, which are ultimately integrated together by applying feedforward compensation technique, in which the global stabilization of the controller is ensured via a robust feedback path. A new kind of parameter and weight adaptation law is designed on the basis of Lyapunov stability theory. Furthermore, the proposed controller obtains an expected steady performance even if modeling uncertainties exist, and extensive simulation results in various working conditions have proven the high performance of the proposed control scheme.
Boverman, Gregory; Miller, Eric L.; Brooks, Dana H.; Fang, Qianqian; Carp, S. A.; Selb, J. J.; Boas, David A.
2007-02-01
In the course of our experiments imaging the compressed breast in conjunction with digital tomosynthesis, we have noted that significant changes in tissue optical properties, on the order of 5%, occur during our imaging protocol. These changes seem to consistent with changes both in total Hemoglobin concentration as well as in oxygen saturation, as was the case for our standalone breast compression study, which made use of reflectance measurements. Simulation experiments show the importance of taking into account the temporal dynamics in the image reconstruction, and demonstrate the possibility of imaging the spatio-temporal dynamics of oxygen saturation and total Hemoglobin in the breast. In the image reconstruction, we make use of spatio-temporal basis functions, specifically a voxel basis for spatial imaging, and a cubic spline basis in time, and we reconstruct the spatio-temporal images using the entire data set simultaneously, making use of both absolute and relative measurements in the cost function. We have modified the sequence of sources used in our imaging acquisition protocol to improve our temporal resolution, and preliminary results are shown for normal subjects.
Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I
2017-09-12
We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.
Directory of Open Access Journals (Sweden)
Ekkehard Krüger
2015-05-01
Full Text Available The paper presents the group theory of optimally-localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and that the symmetry of the Bloch functions at all of the points of symmetry in the Brillouin zone is known, the paper details whether or not the Bloch functions of particular energy bands can be unitarily transformed into optimally-localized Wannier functions symmetry-adapted to the space group G, to the magnetic group M or to a subgroup of G or M. In this context, the paper considers usual, as well as spin-dependent Wannier functions, the latter representing the most general definition of Wannier functions. The presented group theory is a review of the theory published by one of the authors (Ekkehard Krüger in several former papers and is independent of any physical model of magnetism or superconductivity. However, it is suggested to interpret the special symmetry of the optimally-localized Wannier functions in the framework of a nonadiabatic extension of the Heisenberg model, the nonadiabatic Heisenberg model. On the basis of the symmetry of the Wannier functions, this model of strongly-correlated localized electrons makes clear predictions of whether or not the system can possess superconducting or magnetic eigenstates.
Plumley, Joshua A; Dannenberg, J J
2011-06-01
We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.
Molecular basis of the functional heterogeneity of the muscarinic acetylcholine receptor
International Nuclear Information System (INIS)
Numa, S.; Fukuda, K.; Kubo, T.; Maeda, A.; Akiba, I.; Bujo, H.; Nakai, J.; Mishina, M.; Higashida, H.
1988-01-01
The muscarinic acetylcholine receptor (mAChR) mediates a variety of cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides, and modulation of potassium channels, through the action of guanine-nucleotide-binding regulatory proteins (G proteins). The question then arises as to whether multiple mAChR species exist that are responsible for the various biochemical and physiological effects. In fact, pharmacologically distinguishable forms of the mAChR occur in different tissues and have been provisionally classified into M 1 (I), M 2 cardiac (II), and M 2 glandular (III) subtypes on the basis of their difference in apparent affinity for antagonists. Here, the authors have made attempts to understand the molecular basis of the functional heterogeneity of the mAChR, using recombinant DNA technology
Chen, Zhaoxue; Chen, Hao
2014-01-01
A deconvolution method based on the Gaussian radial basis function (GRBF) interpolation is proposed. Both the original image and Gaussian point spread function are expressed as the same continuous GRBF model, thus image degradation is simplified as convolution of two continuous Gaussian functions, and image deconvolution is converted to calculate the weighted coefficients of two-dimensional control points. Compared with Wiener filter and Lucy-Richardson algorithm, the GRBF method has an obvious advantage in the quality of restored images. In order to overcome such a defect of long-time computing, the method of graphic processing unit multithreading or increasing space interval of control points is adopted, respectively, to speed up the implementation of GRBF method. The experiments show that based on the continuous GRBF model, the image deconvolution can be efficiently implemented by the method, which also has a considerable reference value for the study of three-dimensional microscopic image deconvolution.
Radial basis function neural network for power system load-flow
International Nuclear Information System (INIS)
Karami, A.; Mohammadi, M.S.
2008-01-01
This paper presents a method for solving the load-flow problem of the electric power systems using radial basis function (RBF) neural network with a fast hybrid training method. The main idea is that some operating conditions (values) are needed to solve the set of non-linear algebraic equations of load-flow by employing an iterative numerical technique. Therefore, we may view the outputs of a load-flow program as functions of the operating conditions. Indeed, we are faced with a function approximation problem and this can be done by an RBF neural network. The proposed approach has been successfully applied to the 10-machine and 39-bus New England test system. In addition, this method has been compared with that of a multi-layer perceptron (MLP) neural network model. The simulation results show that the RBF neural network is a simpler method to implement and requires less training time to converge than the MLP neural network. (author)
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study.
Wang, Ping; Zhu, Xing-Ting; Qi, Zhigang; Huang, Silin; Li, Hui-Jie
2017-01-01
Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI) study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs) and twenty non-video game players (NVGPs) of 60 years of age or older participated in the present study, and there are no significant differences in age ( t = 0.62, p = 0.536), gender ratio ( t = 1.29, p = 0.206) and years of education ( t = 1.92, p = 0.062) between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.
Computing single step operators of logic programming in radial basis function neural networks
Energy Technology Data Exchange (ETDEWEB)
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2014-07-10
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
Computing single step operators of logic programming in radial basis function neural networks
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong
2014-07-01
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
Reconstruction of Daily Sea Surface Temperature Based on Radial Basis Function Networks
Directory of Open Access Journals (Sweden)
Zhihong Liao
2017-11-01
Full Text Available A radial basis function network (RBFN method is proposed to reconstruct daily Sea surface temperatures (SSTs with limited SST samples. For the purpose of evaluating the SSTs using this method, non-biased SST samples in the Pacific Ocean (10°N–30°N, 115°E–135°E are selected when the tropical storm Hagibis arrived in June 2014, and these SST samples are obtained from the Reynolds optimum interpolation (OI v2 daily 0.25° SST (OISST products according to the distribution of AVHRR L2p SST and in-situ SST data. Furthermore, an improved nearest neighbor cluster (INNC algorithm is designed to search for the optimal hidden knots for RBFNs from both the SST samples and the background fields. Then, the reconstructed SSTs from the RBFN method are compared with the results from the OI method. The statistical results show that the RBFN method has a better performance of reconstructing SST than the OI method in the study, and that the average RMSE is 0.48 °C for the RBFN method, which is quite smaller than the value of 0.69 °C for the OI method. Additionally, the RBFN methods with different basis functions and clustering algorithms are tested, and we discover that the INNC algorithm with multi-quadric function is quite suitable for the RBFN method to reconstruct SSTs when the SST samples are sparsely distributed.
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study
Directory of Open Access Journals (Sweden)
Ping Wang
2017-11-01
Full Text Available Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs and twenty non-video game players (NVGPs of 60 years of age or older participated in the present study, and there are no significant differences in age (t = 0.62, p = 0.536, gender ratio (t = 1.29, p = 0.206 and years of education (t = 1.92, p = 0.062 between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.
Computing single step operators of logic programming in radial basis function neural networks
International Nuclear Information System (INIS)
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong
2014-01-01
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T p :I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks
Modelling of coil-loaded wire antenna using composite multiple domain basis functions
CSIR Research Space (South Africa)
Lysko, AA
2010-03-01
Full Text Available - tional Electromagnetics, Artech House, 2001. 3. Rogers, S. D. and C. M. Butler, \\An e–cient curved-wire integral equation solution technique," IEEE Trans. Ant. and Propag., 70{79, Vol. 49, Jan. 2001. 4. Mosig, J. and E. Suter, \\A multilevel divide.... 8. Wan, J. X., J. Lei, and C.-H. Liang, \\An e–cient analysis of large-scale periodic microstrip antenna arrays using the characteristic basis function method," Progress In Electromagnetics Research, PIER 50, 61{81, 2005. 9. Taguchi, M., K...
Radial basis function neural networks with sequential learning MRAN and its applications
Sundararajan, N; Wei Lu Ying
1999-01-01
This book presents in detail the newly developed sequential learning algorithm for radial basis function neural networks, which realizes a minimal network. This algorithm, created by the authors, is referred to as Minimal Resource Allocation Networks (MRAN). The book describes the application of MRAN in different areas, including pattern recognition, time series prediction, system identification, control, communication and signal processing. Benchmark problems from these areas have been studied, and MRAN is compared with other algorithms. In order to make the book self-contained, a review of t
CSIR Research Space (South Africa)
Bogaers, Alfred EJ
2016-10-01
Full Text Available words, gB = [ φBA PB ] [ MAA PA P TA 0 ]−1 [ gA 0 ] . (15) NAME: DEFINITION C0 compactly supported piecewise polynomial (C0): (1− (||x|| /r))2+ C2 compactly supported piecewise polynomial (C2): (1− (||x|| /r))4+ (4 (||x|| /r) + 1) Thin-plate spline (TPS... a numerical comparison to Kriging and the moving least-squares method, see Krishnamurthy [16]). RBF interpolation is based on fitting a series of splines, or basis functions to interpolate information from one point cloud to another. Let us assume we...
Design and Modeling of RF Power Amplifiers with Radial Basis Function Artificial Neural Networks
Ali Reza Zirak; Sobhan Roshani
2016-01-01
A radial basis function (RBF) artificial neural network model for a designed high efficiency radio frequency class-F power amplifier (PA) is presented in this paper. The presented amplifier is designed at 1.8 GHz operating frequency with 12 dB of gain and 36 dBm of 1dB output compression point. The obtained power added efficiency (PAE) for the presented PA is 76% under 26 dBm input power. The proposed RBF model uses input and DC power of the PA as inputs variables and considers output power a...
KARHUNEN-LOÈVE Basis Functions of Kolmogorov Turbulence in the Sphere
Mathar, Richard J.
In support of modeling atmospheric turbulence, the statistically independent Karhunen-Loève modes of refractive indices with isotropic Kolmogorov spectrum of the covariance are calculated inside a sphere of fixed radius, rendered as series of 3D Zernike functions. Many of the symmetry arguments of the well-known associated 2D problem for the circular input pupil remain valid. The technique of efficient diagonalization of the eigenvalue problem in wavenumber space is founded on the Fourier representation of the 3D Zernike basis, and extensible to the von-Kármán power spectrum.
International Nuclear Information System (INIS)
Davidson, G.; Palmer, T.S.
2005-01-01
In 1975, Wachspress developed basis functions that can be constructed upon very general zone shapes, including convex polygons and polyhedra, as well as certain zone shapes with curved sides and faces. Additionally, Adams has recently shown that weight functions with certain properties will produce solutions with full-resolution. Wachspress rational functions possess those necessary properties. Here we present methods to construct and integrate Wachspress rational functions on quadrilaterals. We also present an asymptotic analysis of a discontinuous finite element discretization on quadrilaterals, and we present 3 numerical results that confirm the predictions of our analysis. In the first test problem, we showed that Wachspress rational functions could give robust solutions for a strongly heterogeneous problem with both orthogonal and skewed meshes. This strongly heterogenous problem contained thick, diffusive regions, and the discretization provided full-resolution solutions. In the second test problem, we confirmed our asymptotic analysis by demonstrating that the transport solution will converge to the diffusion solution as the problem is made increasingly thick and diffusive. In the third test problem, we demonstrated that bilinear discontinuous based transport and Wachspress rational function based transport converge in the one-mesh limit
International Nuclear Information System (INIS)
Mihalas, D.; Kunasz, P.B.; Hummer, D.G.
1976-01-01
A numerical method is presented of solving the radiative transfer equation in the comoving frame of a spherically symmetric expanding atmosphere in which both the line and the electron-scattering source function can depend on frequency (i.e., when there is partial frequency redistribution in the scattering process). This method is used to assess the adequacy of various assumptions regarding frequency redistribution in the comoving frame and to discuss the effects of electron scattering more accurately than previously possible. The methods developed here can be used in realistic model atmospheres to account for the (major) effects of electron scattering upon emergent flux profiles
Energy Technology Data Exchange (ETDEWEB)
Hashimoto, M.; Saito, K.; Ando, H. [Power Reactor and Nuclear Fuel Development Corp., Oarai, Ibaraki (Japan). Oarai Engineering Center
1998-05-01
The method to calculate the response function of spherical BF{sub 3} proportional counter, which is commonly used as neutron dose rate meter and neutron spectrometer with multi moderator system, is developed. As the calculation code for evaluating the response function, the existing code series NRESP, the Monte Carlo code for the calculation of response function of neutron detectors, is selected. However, the application scope of the existing NRESP is restricted, the NRESP98 is tuned as generally applicable code, with expansion of the geometrical condition, the applicable element, etc. The NRESP98 is tested with the response function of the spherical BF{sub 3} proportional counter. Including the effect of the distribution of amplification factor, the detailed evaluation of the charged particle transportation and the effect of the statistical distribution, the result of NRESP98 calculation fit the experience within {+-}10%. (author)
Machine learning (ML)-guided OPC using basis functions of polar Fourier transform
Choi, Suhyeong; Shim, Seongbo; Shin, Youngsoo
2016-03-01
With shrinking feature size, runtime has become a limitation of model-based OPC (MB-OPC). A few machine learning-guided OPC (ML-OPC) have been studied as candidates for next-generation OPC, but they all employ too many parameters (e.g. local densities), which set their own limitations. We propose to use basis functions of polar Fourier transform (PFT) as parameters of ML-OPC. Since PFT functions are orthogonal each other and well reflect light phenomena, the number of parameters can significantly be reduced without loss of OPC accuracy. Experiments demonstrate that our new ML-OPC achieves 80% reduction in OPC time and 35% reduction in the error of predicted mask bias when compared to conventional ML-OPC.
Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1
Energy Technology Data Exchange (ETDEWEB)
Luna, Antonio [Health Time Group, Jaen (Spain); University Hospitals, Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Radiology; Vilanova, Joan C. [Clinica Girona - Hospital Sta. Caterina, Girona (Spain); Hygino da Cruz, L. Celso Jr. [CDPI and IRM, Rio de Janeiro, RJ (Brazil). Dept. of Radiology; Rossi, Santiago E. (ed.) [Centro de Diagnostico, Buenos Aires (Argentina)
2014-07-01
Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.
Cellular and molecular basis of chronic constipation: taking the functional/idiopathic label out.
Bassotti, Gabrio; Villanacci, Vincenzo; Creţoiu, Dragos; Creţoiu, Sanda Maria; Becheanu, Gabriel
2013-07-14
In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called "functional" or "idiopathic" disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable abnormalities). This is particularly true, for instance, for irritable bowel syndrome, the prototype entity of "functional" gastrointestinal disorders, where low-grade inflammation of both mucosa and myenteric plexus has been repeatedly demonstrated. Thus, researchers have also investigated other functional/idiopathic gastrointestinal disorders, and found that some organic ground is present, such as abnormal neurotransmission and myenteric plexitis in esophageal achalasia and mucosal immune activation and mild eosinophilia in functional dyspepsia. Here we show evidence, based on our own and other authors' work, that chronic constipation has several abnormalities reconductable to alterations in the enteric nervous system, abnormalities mainly characterized by a constant decrease of enteric glial cells and interstitial cells of Cajal (and, sometimes, of enteric neurons). Thus, we feel that (at least some forms of) chronic constipation should no more be considered as a functional/idiopathic gastrointestinal disorder, but instead as a true enteric neuropathic abnormality.
Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1
International Nuclear Information System (INIS)
Luna, Antonio; Hygino da Cruz, L. Celso Jr.
2014-01-01
Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.
Energy Technology Data Exchange (ETDEWEB)
Ibral, Asmaa [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Zouitine, Asmae [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); Assaid, El Mahdi, E-mail: eassaid@yahoo.fr [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Feddi, El Mustapha [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); and others
2014-09-15
Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure.
International Nuclear Information System (INIS)
Ibral, Asmaa; Zouitine, Asmae; Assaid, El Mahdi; Feddi, El Mustapha
2014-01-01
Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure
International Nuclear Information System (INIS)
Khelashvili, A.A.; Nadareishvili, T.P.
2015-01-01
Singular behavior of the Laplace operator in spherical coordinates is investigated. It is shown that in course of transition to the reduced radial wave function in the Schreodinger equation there appears additional term including the Dirac delta function, which was unnoted during the full history of physics and mathematics. The possibility of avoiding this contribution from the reduced radial equation is discussed. It is demonstrated that for this aim the necessary and sufficient condition is the requirement of the fast enough falling of the wave function at the origin. The result does not depend on character of potential - whether it is regular or singular. The various manifestations and consequences of this observation are considered as well. The cornerstone in our approach is the natural requirement that the solution of the radial equation at the same time must obey the full equation. [ru
Plumley, Joshua A.; Dannenberg, J. J.
2011-01-01
We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimenta...
International Nuclear Information System (INIS)
Kollmar, Christian; Neese, Frank
2014-01-01
The role of the static Kohn-Sham (KS) response function describing the response of the electron density to a change of the local KS potential is discussed in both the theory of the optimized effective potential (OEP) and the so-called inverse Kohn-Sham problem involving the task to find the local KS potential for a given electron density. In a general discussion of the integral equation to be solved in both cases, it is argued that a unique solution of this equation can be found even in case of finite atomic orbital basis sets. It is shown how a matrix representation of the response function can be obtained if the exchange-correlation potential is expanded in terms of a Schmidt-orthogonalized basis comprising orbitals products of occupied and virtual orbitals. The viability of this approach in both OEP theory and the inverse KS problem is illustrated by numerical examples
Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors
Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.
2016-12-01
The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.
The neural basis of human social values: evidence from functional MRI.
Zahn, Roland; Moll, Jorge; Paiva, Mirella; Garrido, Griselda; Krueger, Frank; Huey, Edward D; Grafman, Jordan
2009-02-01
Social values are composed of social concepts (e.g., "generosity") and context-dependent moral sentiments (e.g., "pride"). The neural basis of this intricate cognitive architecture has not been investigated thus far. Here, we used functional magnetic resonance imaging while subjects imagined their own actions toward another person (self-agency) which either conformed or were counter to a social value and were associated with pride or guilt, respectively. Imagined actions of another person toward the subjects (other-agency) in accordance with or counter to a value were associated with gratitude or indignation/anger. As hypothesized, superior anterior temporal lobe (aTL) activity increased with conceptual detail in all conditions. During self-agency, activity in the anterior ventromedial prefrontal cortex correlated with pride and guilt, whereas activity in the subgenual cingulate solely correlated with guilt. In contrast, indignation/anger activated lateral orbitofrontal-insular cortices. Pride and gratitude additionally evoked mesolimbic and basal forebrain activations. Our results demonstrate that social values emerge from coactivation of stable abstract social conceptual representations in the superior aTL and context-dependent moral sentiments encoded in fronto-mesolimbic regions. This neural architecture may provide the basis of our ability to communicate about the meaning of social values across cultural contexts without limiting our flexibility to adapt their emotional interpretation.
Leclerc, Arnaud; Carrington, Tucker
2014-05-07
We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.
Radial basis functions in mathematical modelling of flow boiling in minichannels
Directory of Open Access Journals (Sweden)
Hożejowska Sylwia
2017-01-01
Full Text Available The paper addresses heat transfer processes in flow boiling in a vertical minichannel of 1.7 mm depth with a smooth heated surface contacting fluid. The heated element for FC-72 flowing in a minichannel was a 0.45 mm thick plate made of Haynes-230 alloy. An infrared camera positioned opposite the central, axially symmetric part of the channel measured the plate temperature. K-type thermocouples and pressure converters were installed at the inlet and outlet of the minichannel. In the study radial basis functions were used to solve a problem concerning heat transfer in a heated plate supplied with the controlled direct current. According to the model assumptions, the problem is treated as twodimensional and governed by the Poisson equation. The aim of the study lies in determining the temperature field and the heat transfer coefficient. The results were verified by comparing them with those obtained by the Trefftz method.
Directory of Open Access Journals (Sweden)
Huaiqing Zhang
2014-01-01
Full Text Available The spectral leakage has a harmful effect on the accuracy of harmonic analysis for asynchronous sampling. This paper proposed a time quasi-synchronous sampling algorithm which is based on radial basis function (RBF interpolation. Firstly, a fundamental period is evaluated by a zero-crossing technique with fourth-order Newton’s interpolation, and then, the sampling sequence is reproduced by the RBF interpolation. Finally, the harmonic parameters can be calculated by FFT on the synchronization of sampling data. Simulation results showed that the proposed algorithm has high accuracy in measuring distorted and noisy signals. Compared to the local approximation schemes as linear, quadric, and fourth-order Newton interpolations, the RBF is a global approximation method which can acquire more accurate results while the time-consuming is about the same as Newton’s.
Big geo data surface approximation using radial basis functions: A comparative study
Majdisova, Zuzana; Skala, Vaclav
2017-12-01
Approximation of scattered data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for big scattered datasets in n-dimensional space. It is a non-separable approximation, as it is based on the distance between two points. This method leads to the solution of an overdetermined linear system of equations. In this paper the RBF approximation methods are briefly described, a new approach to the RBF approximation of big datasets is presented, and a comparison for different Compactly Supported RBFs (CS-RBFs) is made with respect to the accuracy of the computation. The proposed approach uses symmetry of a matrix, partitioning the matrix into blocks and data structures for storage of the sparse matrix. The experiments are performed for synthetic and real datasets.
Hong, Xia
2006-07-01
In this letter, a Box-Cox transformation-based radial basis function (RBF) neural network is introduced using the RBF neural network to represent the transformed system output. Initially a fixed and moderate sized RBF model base is derived based on a rank revealing orthogonal matrix triangularization (QR decomposition). Then a new fast identification algorithm is introduced using Gauss-Newton algorithm to derive the required Box-Cox transformation, based on a maximum likelihood estimator. The main contribution of this letter is to explore the special structure of the proposed RBF neural network for computational efficiency by utilizing the inverse of matrix block decomposition lemma. Finally, the Box-Cox transformation-based RBF neural network, with good generalization and sparsity, is identified based on the derived optimal Box-Cox transformation and a D-optimality-based orthogonal forward regression algorithm. The proposed algorithm and its efficacy are demonstrated with an illustrative example in comparison with support vector machine regression.
Radial Basis Function (RBF Interpolation and Investigating its Impact on Rainfall Duration Mapping
Directory of Open Access Journals (Sweden)
Hassan Derakhshan
2012-01-01
Full Text Available The missing data in database must be reproduced primarily by appropriate interpolation techniques. Radial basis function (RBF interpolators can play a significant role in data completion of precipitation mapping. Five RBF techniques were engaged to be employed in compensating the missing data in event-wised dataset of Upper Paramatta River Catchment in the western suburbs of Sydney, Australia. The related shape parameter, C, of RBFs was optimized for first event of database during a cross-validation process. The Normalized mean square error (NMSE, percent average estimation error (PAEE and coefficient of determination (R2 were the statistics used as validation tools. Results showed that the multiquadric RBF technique with the least error, best suits compensation of the related database.
Liu, Jinkun
2013-01-01
Radial Basis Function (RBF) Neural Network Control for Mechanical Systems is motivated by the need for systematic design approaches to stable adaptive control system design using neural network approximation-based techniques. The main objectives of the book are to introduce the concrete design methods and MATLAB simulation of stable adaptive RBF neural control strategies. In this book, a broad range of implementable neural network control design methods for mechanical systems are presented, such as robot manipulators, inverted pendulums, single link flexible joint robots, motors, etc. Advanced neural network controller design methods and their stability analysis are explored. The book provides readers with the fundamentals of neural network control system design. This book is intended for the researchers in the fields of neural adaptive control, mechanical systems, Matlab simulation, engineering design, robotics and automation. Jinkun Liu is a professor at Beijing University of Aeronautics and Astronauti...
Upset Prediction in Friction Welding Using Radial Basis Function Neural Network
Directory of Open Access Journals (Sweden)
Wei Liu
2013-01-01
Full Text Available This paper addresses the upset prediction problem of friction welded joints. Based on finite element simulations of inertia friction welding (IFW, a radial basis function (RBF neural network was developed initially to predict the final upset for a number of welding parameters. The predicted joint upset by the RBF neural network was compared to validated finite element simulations, producing an error of less than 8.16% which is reasonable. Furthermore, the effects of initial rotational speed and axial pressure on the upset were investigated in relation to energy conversion with the RBF neural network. The developed RBF neural network was also applied to linear friction welding (LFW and continuous drive friction welding (CDFW. The correlation coefficients of RBF prediction for LFW and CDFW were 0.963 and 0.998, respectively, which further suggest that an RBF neural network is an effective method for upset prediction of friction welded joints.
International Nuclear Information System (INIS)
Yang Xinglin; Wang Huacen; Chen Nan; Dai Wenhua; Li Jin
2006-01-01
High current linear induction accelerator (LIA) is a complicated experimental physics device. It is difficult to evaluate and predict its performance. this paper presents a method which combines wavelet packet transform and radial basis function (RBF) neural network to build fault diagnosis and performance evaluation in order to improve reliability of high current LIA. The signal characteristics vectors which are extracted based on energy parameters of wavelet packet transform can well present the temporal and steady features of pulsed power signal, and reduce data dimensions effectively. The fault diagnosis system for accelerating cell and the trend classification system for the beam current based on RBF networks can perform fault diagnosis and evaluation, and provide predictive information for precise maintenance of high current LIA. (authors)
THE ALGORITHM OF MESHFREE METHOD OF RADIAL BASIS FUNCTIONS IN TASKS OF UNDERGROUND HYDROMECHANICS
Directory of Open Access Journals (Sweden)
N. V. Medvid
2016-01-01
Full Text Available A Mathematical model of filtering consolidation in the body of soil dam with conduit andwashout zone in two-dimensional case is considered. The impact of such technogenic factors as temperature, salt concentration, subsidence of upper boundary and interior points of the dam with time is taken into account. The software to automate the calculation of numerical solution of the boundary problem by radial basis functions has been created, which enables to conduct numerical experiments by varying the input parameters and shape. The influence of the presence of conduit and washout zone on the pressure, temperature and concentration of salts in the dam body at different time intervals isinvestigated. A number of numerical experiments is conducted and the analysis of dam accidents is performed.
Directory of Open Access Journals (Sweden)
Sharma Rakesh
2004-05-01
Full Text Available Abstract Functional magnetic resonance imaging (fMRI is recently developing as imaging modality used for mapping hemodynamics of neuronal and motor event related tissue blood oxygen level dependence (BOLD in terms of brain activation. Image processing is performed by segmentation and registration methods. Segmentation algorithms provide brain surface-based analysis, automated anatomical labeling of cortical fields in magnetic resonance data sets based on oxygen metabolic state. Registration algorithms provide geometric features using two or more imaging modalities to assure clinically useful neuronal and motor information of brain activation. This review article summarizes the physiological basis of fMRI signal, its origin, contrast enhancement, physical factors, anatomical labeling by segmentation, registration approaches with examples of visual and motor activity in brain. Latest developments are reviewed for clinical applications of fMRI along with other different neurophysiological and imaging modalities.
International Nuclear Information System (INIS)
Havu, V.; Blum, V.; Havu, P.; Scheffler, M.
2009-01-01
We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.
Ryu, Duchwan
2013-03-01
The sea surface temperature (SST) is an important factor of the earth climate system. A deep understanding of SST is essential for climate monitoring and prediction. In general, SST follows a nonlinear pattern in both time and location and can be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle filter to estimate the parameters of the dynamic model. We analyze the SST observed in the Caribbean Islands area after a hurricane using the proposed dynamic model. Comparing to the traditional grid-based approach that requires a supercomputer due to its high computational demand, our approach requires much less CPU time and makes real-time forecasting of SST doable on a personal computer. Supplementary materials for this article are available online. © 2013 American Statistical Association.
Directory of Open Access Journals (Sweden)
Ruslan Skrynkovskyy
2017-12-01
Full Text Available The purpose of the article is to improve the model of the enterprise (institution, organization management process on the basis of general management functions. The graphic model of the process of management according to the process-structured management is presented. It has been established that in today's business environment, the model of the management process should include such general management functions as: 1 controlling the achievement of results; 2 planning based on the main goal; 3 coordination and corrective actions (in the system of organization of work and production; 4 action as a form of act (conscious, volitional, directed; 5 accounting system (accounting, statistical, operational-technical and managerial; 6 diagnosis (economic, legal with such subfunctions as: identification of the state and capabilities; analysis (economic, legal, systemic with argumentation; assessment of the state, trends and prospects of development. The prospect of further research in this direction is: 1 the formation of a system of interrelation of functions and management methods, taking into account the presented research results; 2 development of the model of effective and efficient communication business process of the enterprise.
Li, Bo; Rui, Xiaoting
2018-01-01
Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.
Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.
Mitin, Alexander V
2013-09-05
The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-08-07
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods
International Nuclear Information System (INIS)
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-01-01
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT
International Nuclear Information System (INIS)
Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E
2012-01-01
Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.
CSIR Research Space (South Africa)
Lysko, AA
2009-06-01
Full Text Available The paper introduces a method to cover several wire segments with a single basis function, describes related practical algorithms, and gives some results. The process involves three steps: identifying chains of wire segments, splitting the chains...
A new diffusion nodal method based on analytic basis function expansion
International Nuclear Information System (INIS)
Noh, J.M.; Cho, N.Z.
1993-01-01
The transverse integration procedure commonly used in most advanced nodal methods results in some limitations. The first is that the transverse leakage term that appears in the transverse integration procedure must be appropriately approximated. In most advanced nodal methods, this term is expanded in a quadratic polynomial. The second arises when reconstructing the pinwise flux distribution within a node. The available one-dimensional flux shapes from nodal calculation in each spatial direction cannot be used directly in the flux reconstruction. Finally, the transverse leakage defined for a hexagonal node becomes so complicated as not to be easily handled and contains nonphysical singular terms. In this paper, a new nodal method called the analytic function expansion nodal (AFEN) method is described for both the rectangular geometry and the hexagonal geometry in order to overcome these limitations. This method does not solve the transverse-integrated one-dimensional diffusion equations but instead solves directly the original multidimensional diffusion equation within a node. This is a accomplished by expanding the solution (or the intranodal homogeneous flux distribution) in terms of nonseparable analytic basis functions satisfying the diffusion equation at any point in the node
Automatic Curve Fitting Based on Radial Basis Functions and a Hierarchical Genetic Algorithm
Directory of Open Access Journals (Sweden)
G. Trejo-Caballero
2015-01-01
Full Text Available Curve fitting is a very challenging problem that arises in a wide variety of scientific and engineering applications. Given a set of data points, possibly noisy, the goal is to build a compact representation of the curve that corresponds to the best estimate of the unknown underlying relationship between two variables. Despite the large number of methods available to tackle this problem, it remains challenging and elusive. In this paper, a new method to tackle such problem using strictly a linear combination of radial basis functions (RBFs is proposed. To be more specific, we divide the parameter search space into linear and nonlinear parameter subspaces. We use a hierarchical genetic algorithm (HGA to minimize a model selection criterion, which allows us to automatically and simultaneously determine the nonlinear parameters and then, by the least-squares method through Singular Value Decomposition method, to compute the linear parameters. The method is fully automatic and does not require subjective parameters, for example, smooth factor or centre locations, to perform the solution. In order to validate the efficacy of our approach, we perform an experimental study with several tests on benchmarks smooth functions. A comparative analysis with two successful methods based on RBF networks has been included.
Sabour, Mohammad Reza; Moftakhari Anasori Movahed, Saman
2017-02-01
The soil sorption partition coefficient logK oc is an indispensable parameter that can be used in assessing the environmental risk of organic chemicals. In order to predict soil sorption partition coefficient for different and even unknown compounds in a fast and accurate manner, a radial basis function neural network (RBFNN) model was developed. Eight topological descriptors of 800 organic compounds were used as inputs of the model. These 800 organic compounds were chosen from a large and very diverse data set. Generalized Regression Neural Network (GRNN) was utilized as the function in this neural network model due to its capability to adapt very quickly. Hence, it can be used to predict logK oc for new chemicals, as well. Out of total data set, 560 organic compounds were used for training and 240 to test efficiency of the model. The obtained results indicate that the model performance is very well. The correlation coefficients (R2) for training and test sets were 0.995 and 0.933, respectively. The root-mean square errors (RMSE) were 0.2321 for training set and 0.413 for test set. As the results for both training and test set are extremely satisfactory, the proposed neural network model can be employed not only to predict logK oc of known compounds, but also to be adaptive for prediction of this value precisely for new products that enter the market each year. Copyright © 2016 Elsevier Ltd. All rights reserved.
Response functions of a superlattice with a basis: A model for oxide superconductors
International Nuclear Information System (INIS)
Griffin, A.
1988-01-01
The new high-T/sub c/ oxide superconductors appear to be superlattice structures with a basis composed of metallic sheets as well as metallic chains. Using a simple free-electron-gas model for the sheets and chains, we obtain the dielectric function ε(q,ω) of such a multilayer system within the random-phase approximation (RPA). We give results valid for arbitrary wave vector q appropriate to sheets and chains (as in the orthorhombic phase of Y-Ba-Cu-O) as well as for two different kinds of sheets (such as may be present in the Bi-Ca-Sr-Cu-O superconductors). The occurrence of acoustic plasmons is a general phenomenon in such superlattices, as shown by an alternative formulation based on the exact response functions for the individual sheets and chains, in which only the interchain (sheet) Coulomb interaction is treated in the RPA. These results generalize the long-wavelength expressions recently given in the literature. We also briefly discuss the analogous results for two arrays of mutually perpendicular chains, such as found in Hg chain compounds
Solution to PDEs using radial basis function finite-differences (RBF-FD) on multiple GPUs
International Nuclear Information System (INIS)
Bollig, Evan F.; Flyer, Natasha; Erlebacher, Gordon
2012-01-01
This paper presents parallelization strategies for the radial basis function-finite difference (RBF-FD) method. As a generalized finite differencing scheme, the RBF-FD method functions without the need for underlying meshes to structure nodes. It offers high-order accuracy approximation and scales as O(N) per time step, with N being with the total number of nodes. To our knowledge, this is the first implementation of the RBF-FD method to leverage GPU accelerators for the solution of PDEs. Additionally, this implementation is the first to span both multiple CPUs and multiple GPUs. OpenCL kernels target the GPUs and inter-processor communication and synchronization is managed by the Message Passing Interface (MPI). We verify our implementation of the RBF-FD method with two hyperbolic PDEs on the sphere, and demonstrate up to 9x speedup on a commodity GPU with unoptimized kernel implementations. On a high performance cluster, the method achieves up to 7x speedup for the maximum problem size of 27,556 nodes.
International Nuclear Information System (INIS)
Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook; Kim, Woo Youn
2015-01-01
We developed a self-consistent field program based on Kohn-Sham density functional theory using Lagrange-sinc functions as a basis set and examined its numerical accuracy for atoms and molecules through comparison with the results of Gaussian basis sets. The result of the Kohn-Sham inversion formula from the Lagrange-sinc basis set manifests that the pseudopotential method is essential for cost-effective calculations. The Lagrange-sinc basis set shows faster convergence of the kinetic and correlation energies of benzene as its size increases than the finite difference method does, though both share the same uniform grid. Using a scaling factor smaller than or equal to 0.226 bohr and pseudopotentials with nonlinear core correction, its accuracy for the atomization energies of the G2-1 set is comparable to all-electron complete basis set limits (mean absolute deviation ≤1 kcal/mol). The same basis set also shows small mean absolute deviations in the ionization energies, electron affinities, and static polarizabilities of atoms in the G2-1 set. In particular, the Lagrange-sinc basis set shows high accuracy with rapid convergence in describing density or orbital changes by an external electric field. Moreover, the Lagrange-sinc basis set can readily improve its accuracy toward a complete basis set limit by simply decreasing the scaling factor regardless of systems
International Nuclear Information System (INIS)
Filippov, G.F.; Ovcharenko, V.I.; Teryoshin, Yu.V.
1980-01-01
For near-magnetic nuclei, the matrix elements of the central exchange nucleon-nucleon interaction potential energy operator between the generating functions of the total basis of the Sn are obtained. The basis states are highest weigt vectorsp(2,R) irreducible representatio of the SO(3) irredicible representation and in addition, have a definite O(A-1) symmetry. The Sp(2,R) basis generating matrix elements simplify essentially the problem of calculating the spectrum of collective excitations of the atomic nucleus over an intrinsic function of definite O(A-1) symmetry
Spherical sila- and germa-homoaromaticity.
Chen, Zhongfang; Hirsch, Andreas; Nagase, Shigeru; Thiel, Walter; Schleyer, Paul von Ragué
2003-12-17
Guided by the 2(N + 1)2 electron-counting rule for spherical aromatic molecules, we have designed various spherical sila- and germa-homoaromatic systems rich in group 14 elements. Their aromaticity is revealed by density-functional computations of their structures and the nucleus-independent chemical shifts (NICS). Besides the formerly used endohedral inclusion strategy, spherical homoaromaticity is another way to stabilize silicon and germanium clusters.
Spherical space Bessel-Legendre-Fourier mode solver for Maxwell's wave equations
Alzahrani, Mohammed A.; Gauthier, Robert C.
2015-02-01
For spherically symmetric dielectric structures, a basis set composed of Bessel, Legendre and Fourier functions, BLF, are used to cast Maxwell's wave equations into an eigenvalue problem from which the localized modes can be determined. The steps leading to the eigenmatrix are reviewed and techniques used to reduce the order of matrix and tune the computations for particular mode types are detailed. The BLF basis functions are used to expand the electric and magnetic fields as well as the inverse relative dielectric profile. Similar to the common plane wave expansion technique, the BLF matrix returns the eigen-frequencies and eigenvectors, but in BLF only steady states, non-propagated, are obtained. The technique is first applied to a air filled spherical structure with perfectly conducting outer surface and then to a spherical microsphere located in air. Results are compared published values were possible.
Radial basis function networks applied to DNBR calculation in digital core protection systems
International Nuclear Information System (INIS)
Lee, Gyu-Cheon; Heung Chang, Soon
2003-01-01
The nuclear power plant has to be operated with sufficient margin from the specified DNBR limit for assuring its safety. The digital core protection system calculates on-line real-time DNBR by using a complex subchannel analysis program, and triggers a reliable reactor shutdown if the calculated DNBR approaches the specified limit. However, it takes a relatively long calculation time even for a steady state condition, which may have an adverse effect on the operation flexibility. To overcome the drawback, a new method using a radial basis function network is presented in this paper. Nonparametric training approach is utilized, which shows dramatic reduction of the training time, no tedious heuristic process for optimizing parameters, and no local minima problem during the training. The test results show that the predicted DNBR is within about ±2% deviation from the target DNBR for the fixed axial flux shape case. For the variable axial flux case including severely skewed shapes that appeared during accidents, the deviation is within about ±10%. The suggested method could be the alternative that can calculate DNBR very quickly while guaranteeing the plant safety
McClements, David Julian; Gumus, Cansu Ekin
2016-08-01
There is increasing consumer pressure for commercial products that are more natural, sustainable, and environmentally friendly, including foods, cosmetics, detergents, and personal care products. Industry has responded by trying to identify natural alternatives to synthetic functional ingredients within these products. The focus of this review article is on the replacement of synthetic surfactants with natural emulsifiers, such as amphiphilic proteins, polysaccharides, biosurfactants, phospholipids, and bioparticles. In particular, the physicochemical basis of emulsion formation and stabilization by natural emulsifiers is discussed, and the benefits and limitations of different natural emulsifiers are compared. Surface-active polysaccharides typically have to be used at relatively high levels to produce small droplets, but the droplets formed are highly resistant to environmental changes. Conversely, surface-active proteins are typically utilized at low levels, but the droplets formed are highly sensitive to changes in pH, ionic strength, and temperature. Certain phospholipids are capable of producing small oil droplets during homogenization, but again the droplets formed are highly sensitive to changes in environmental conditions. Biosurfactants (saponins) can be utilized at low levels to form fine oil droplets that remain stable over a range of environmental conditions. Some nature-derived nanoparticles (e.g., cellulose, chitosan, and starch) are effective at stabilizing emulsions containing relatively large oil droplets. Future research is encouraged to identify, isolate, purify, and characterize new types of natural emulsifier, and to test their efficacy in food, cosmetic, detergent, personal care, and other products. Copyright © 2016 Elsevier B.V. All rights reserved.
Wang, Zhiheng
2014-12-10
A meshless local radial basis function method is developed for two-dimensional incompressible Navier-Stokes equations. The distributed nodes used to store the variables are obtained by the philosophy of an unstructured mesh, which results in two main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization of equations is performed conveniently with the supporting nodes. The algebraic system is solved by a semi-implicit pseudo-time method, in which the convective and source terms are explicitly marched by the Runge-Kutta method, and the diffusive terms are implicitly solved. The proposed method is validated by several benchmark problems, including natural convection in a square cavity, the lid-driven cavity flow, and the natural convection in a square cavity containing a circular cylinder, and very good agreement with the existing results are obtained.
Gaussian Radial Basis Function for Efficient Computation of Forest Indirect Illumination
Abbas, Fayçal; Babahenini, Mohamed Chaouki
2018-06-01
Global illumination of natural scenes in real time like forests is one of the most complex problems to solve, because the multiple inter-reflections between the light and material of the objects composing the scene. The major problem that arises is the problem of visibility computation. In fact, the computing of visibility is carried out for all the set of leaves visible from the center of a given leaf, given the enormous number of leaves present in a tree, this computation performed for each leaf of the tree which also reduces performance. We describe a new approach that approximates visibility queries, which precede in two steps. The first step is to generate point cloud representing the foliage. We assume that the point cloud is composed of two classes (visible, not-visible) non-linearly separable. The second step is to perform a point cloud classification by applying the Gaussian radial basis function, which measures the similarity in term of distance between each leaf and a landmark leaf. It allows approximating the visibility requests to extract the leaves that will be used to calculate the amount of indirect illumination exchanged between neighbor leaves. Our approach allows efficiently treat the light exchanges in the scene of a forest, it allows a fast computation and produces images of good visual quality, all this takes advantage of the immense power of computation of the GPU.
Chen, Jiajia; Zhao, Pan; Liang, Huawei; Mei, Tao
2014-09-18
The autonomous vehicle is an automated system equipped with features like environment perception, decision-making, motion planning, and control and execution technology. Navigating in an unstructured and complex environment is a huge challenge for autonomous vehicles, due to the irregular shape of road, the requirement of real-time planning, and the nonholonomic constraints of vehicle. This paper presents a motion planning method, based on the Radial Basis Function (RBF) neural network, to guide the autonomous vehicle in unstructured environments. The proposed algorithm extracts the drivable region from the perception grid map based on the global path, which is available in the road network. The sample points are randomly selected in the drivable region, and a gradient descent method is used to train the RBF network. The parameters of the motion-planning algorithm are verified through the simulation and experiment. It is observed that the proposed approach produces a flexible, smooth, and safe path that can fit any road shape. The method is implemented on autonomous vehicle and verified against many outdoor scenes; furthermore, a comparison of proposed method with the existing well-known Rapidly-exploring Random Tree (RRT) method is presented. The experimental results show that the proposed method is highly effective in planning the vehicle path and offers better motion quality.
Directory of Open Access Journals (Sweden)
M. Safish Mary
2012-04-01
Full Text Available Classification of large amount of data is a time consuming process but crucial for analysis and decision making. Radial Basis Function networks are widely used for classification and regression analysis. In this paper, we have studied the performance of RBF neural networks to classify the sales of cars based on the demand, using kernel density estimation algorithm which produces classification accuracy comparable to data classification accuracy provided by support vector machines. In this paper, we have proposed a new instance based data selection method where redundant instances are removed with help of a threshold thus improving the time complexity with improved classification accuracy. The instance based selection of the data set will help reduce the number of clusters formed thereby reduces the number of centers considered for building the RBF network. Further the efficiency of the training is improved by applying a hierarchical clustering technique to reduce the number of clusters formed at every step. The paper explains the algorithm used for classification and for conditioning the data. It also explains the complexities involved in classification of sales data for analysis and decision-making.
S-pairing in neutron matter: I. Correlated basis function theory
International Nuclear Information System (INIS)
Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.
2008-01-01
S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v 14 and Argonne v 8 ' ) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions
Directory of Open Access Journals (Sweden)
Misganaw Abebe
2017-11-01
Full Text Available Springback in multi-point dieless forming (MDF is a common problem because of the small deformation and blank holder free boundary condition. Numerical simulations are widely used in sheet metal forming to predict the springback. However, the computational time in using the numerical tools is time costly to find the optimal process parameters value. This study proposes radial basis function (RBF to replace the numerical simulation model by using statistical analyses that are based on a design of experiment (DOE. Punch holding time, blank thickness, and curvature radius are chosen as effective process parameters for determining the springback. The Latin hypercube DOE method facilitates statistical analyses and the extraction of a prediction model in the experimental process parameter domain. Finite element (FE simulation model is conducted in the ABAQUS commercial software to generate the springback responses of the training and testing samples. The genetic algorithm is applied to find the optimal value for reducing and compensating the induced springback for the different blank thicknesses using the developed RBF prediction model. Finally, the RBF numerical result is verified by comparing with the FE simulation result of the optimal process parameters and both results show that the springback is almost negligible from the target shape.
Cost-Sensitive Radial Basis Function Neural Network Classifier for Software Defect Prediction.
Kumudha, P; Venkatesan, R
Effective prediction of software modules, those that are prone to defects, will enable software developers to achieve efficient allocation of resources and to concentrate on quality assurance activities. The process of software development life cycle basically includes design, analysis, implementation, testing, and release phases. Generally, software testing is a critical task in the software development process wherein it is to save time and budget by detecting defects at the earliest and deliver a product without defects to the customers. This testing phase should be carefully operated in an effective manner to release a defect-free (bug-free) software product to the customers. In order to improve the software testing process, fault prediction methods identify the software parts that are more noted to be defect-prone. This paper proposes a prediction approach based on conventional radial basis function neural network (RBFNN) and the novel adaptive dimensional biogeography based optimization (ADBBO) model. The developed ADBBO based RBFNN model is tested with five publicly available datasets from the NASA data program repository. The computed results prove the effectiveness of the proposed ADBBO-RBFNN classifier approach with respect to the considered metrics in comparison with that of the early predictors available in the literature for the same datasets.
Directory of Open Access Journals (Sweden)
Tatar Afshin
2016-03-01
Full Text Available Raw natural gases usually contain water. It is very important to remove the water from these gases through dehydration processes due to economic reasons and safety considerations. One of the most important methods for water removal from these gases is using dehydration units which use Triethylene glycol (TEG. The TEG concentration at which all water is removed and dew point characteristics of mixture are two important parameters, which should be taken into account in TEG dehydration system. Hence, developing a reliable and accurate model to predict the performance of such a system seems to be very important in gas engineering operations. This study highlights the use of intelligent modeling techniques such as Multilayer perceptron (MLP and Radial Basis Function Neural Network (RBF-ANN to predict the equilibrium water dew point in a stream of natural gas based on the TEG concentration of stream and contractor temperature. Literature data set used in this study covers temperatures from 10 °C to 80 °C and TEG concentrations from 90.000% to 99.999%. Results showed that both models are accurate in prediction of experimental data and the MLP model gives more accurate predictions compared to RBF model.
Mohamed Yacin, S; Srinivasa Chakravarthy, V; Manivannan, M
2011-11-01
Extraction of extra-cardiac information from photoplethysmography (PPG) signal is a challenging research problem with significant clinical applications. In this study, radial basis function neural network (RBFNN) is used to reconstruct the gastric myoelectric activity (GMA) slow wave from finger PPG signal. Finger PPG and GMA (measured using Electrogastrogram, EGG) signals were acquired simultaneously at the sampling rate of 100 Hz from ten healthy subjects. Discrete wavelet transform (DWT) was used to extract slow wave (0-0.1953 Hz) component from the finger PPG signal; this slow wave PPG was used to reconstruct EGG. A RBFNN is trained on signals obtained from six subjects in both fasting and postprandial conditions. The trained network is tested on data obtained from the remaining four subjects. In the earlier study, we have shown the presence of GMA information in finger PPG signal using DWT and cross-correlation method. In this study, we explicitly reconstruct gastric slow wave from finger PPG signal by the proposed RBFNN-based method. It was found that the network-reconstructed slow wave provided significantly higher (P wave than the correlation obtained (≈0.7) between the PPG slow wave from DWT and the EEG slow wave. Our results showed that a simple finger PPG signal can be used to reconstruct gastric slow wave using RBFNN method.
A Basis Function Approach to Simulate Storm Surge Events for Coastal Flood Risk Assessment
Wu, Wenyan; Westra, Seth; Leonard, Michael
2017-04-01
Storm surge is a significant contributor to flooding in coastal and estuarine regions, especially when it coincides with other flood producing mechanisms, such as extreme rainfall. Therefore, storm surge has always been a research focus in coastal flood risk assessment. Often numerical models have been developed to understand storm surge events for risk assessment (Kumagai et al. 2016; Li et al. 2016; Zhang et al. 2016) (Bastidas et al. 2016; Bilskie et al. 2016; Dalledonne and Mayerle 2016; Haigh et al. 2014; Kodaira et al. 2016; Lapetina and Sheng 2015), and assess how these events may change or evolve in the future (Izuru et al. 2015; Oey and Chou 2016). However, numeric models often require a lot of input information and difficulties arise when there are not sufficient data available (Madsen et al. 2015). Alternative, statistical methods have been used to forecast storm surge based on historical data (Hashemi et al. 2016; Kim et al. 2016) or to examine the long term trend in the change of storm surge events, especially under climate change (Balaguru et al. 2016; Oh et al. 2016; Rueda et al. 2016). In these studies, often the peak of surge events is used, which result in the loss of dynamic information within a tidal cycle or surge event (i.e. a time series of storm surge values). In this study, we propose an alternative basis function (BF) based approach to examine the different attributes (e.g. peak and durations) of storm surge events using historical data. Two simple two-parameter BFs were used: the exponential function and the triangular function. High quality hourly storm surge record from 15 tide gauges around Australia were examined. It was found that there are significantly location and seasonal variability in the peak and duration of storm surge events, which provides additional insights in coastal flood risk. In addition, the simple form of these BFs allows fast simulation of storm surge events and minimises the complexity of joint probability
Spherical Demons: Fast Surface Registration
Yeo, B.T. Thomas; Sabuncu, Mert; Vercauteren, Tom; Ayache, Nicholas; Fischl, Bruce; Golland, Polina
2009-01-01
We present the fast Spherical Demons algorithm for registering two spherical images. By exploiting spherical vector spline interpolation theory, we show that a large class of regularizers for the modified demons objective function can be efficiently implemented on the sphere using convolution. Based on the one parameter subgroups of diffeomorphisms, the resulting registration is diffeomorphic and fast – registration of two cortical mesh models with more than 100k nodes takes less than 5 minutes, comparable to the fastest surface registration algorithms. Moreover, the accuracy of our method compares favorably to the popular FreeSurfer registration algorithm. We validate the technique in two different settings: (1) parcellation in a set of in-vivo cortical surfaces and (2) Brodmann area localization in ex-vivo cortical surfaces. PMID:18979813
Directory of Open Access Journals (Sweden)
Gisele Tessari Santos
2009-08-01
Full Text Available A large number of financial engineering problems involve non-linear equations with non-linear or time-dependent boundary conditions. Despite available analytical solutions, many classical and modified forms of the well-known Black-Scholes (BS equation require fast and accurate numerical solutions. This work introduces the radial basis function (RBF method as applied to the solution of the BS equation with non-linear boundary conditions, related to path-dependent barrier options. Furthermore, the diffusional method for solving advective-diffusive equations is explored as to its effectiveness to solve BS equations. Cubic and Thin-Plate Spline (TPS radial basis functions were employed and evaluated as to their effectiveness to solve barrier option problems. The numerical results, when compared against analytical solutions, allow affirming that the RBF method is very accurate and easy to be implemented. When the RBF method is applied, the diffusional method leads to the same results as those obtained from the classical formulation of Black-Scholes equation.Muitos problemas de engenharia financeira envolvem equações não-lineares com condições de contorno não-lineares ou dependentes do tempo. Apesar de soluções analíticas disponíveis, várias formas clássicas e modificadas da conhecida equação de Black-Scholes (BS requerem soluções numéricas rápidas e acuradas. Este trabalho introduz o método de função de base radial (RBF aplicado à solução da equação BS com condições de contorno não-lineares relacionadas a opções de barreira dependentes da trajetória. Além disso, explora-se o método difusional para solucionar equações advectivo-difusivas quanto à sua efetividade para solucionar equações BS. Utilizam-se funções de base radial Cúbica e Thin-Plate Spline (TPS, aplicadas à solução de problemas de opções de barreiras. Os resultados numéricos, quando comparados com as soluções analíticas, permitem afirmar
Spherical Tensor Calculus for Local Adaptive Filtering
Reisert, Marco; Burkhardt, Hans
In 3D image processing tensors play an important role. While rank-1 and rank-2 tensors are well understood and commonly used, higher rank tensors are rare. This is probably due to their cumbersome rotation behavior which prevents a computationally efficient use. In this chapter we want to introduce the notion of a spherical tensor which is based on the irreducible representations of the 3D rotation group. In fact, any ordinary cartesian tensor can be decomposed into a sum of spherical tensors, while each spherical tensor has a quite simple rotation behavior. We introduce so called tensorial harmonics that provide an orthogonal basis for spherical tensor fields of any rank. It is just a generalization of the well known spherical harmonics. Additionally we propose a spherical derivative which connects spherical tensor fields of different degree by differentiation. Based on the proposed theory we present two applications. We propose an efficient algorithm for dense tensor voting in 3D, which makes use of tensorial harmonics decomposition of the tensor-valued voting field. In this way it is possible to perform tensor voting by linear-combinations of convolutions in an efficient way. Secondly, we propose an anisotropic smoothing filter that uses a local shape and orientation adaptive filter kernel which can be computed efficiently by the use spherical derivatives.
International Nuclear Information System (INIS)
Casa, L D C; Krueger, P S
2013-01-01
Unstructured three-dimensional fluid velocity data were interpolated using Gaussian radial basis function (RBF) interpolation. Data were generated to imitate the spatial resolution and experimental uncertainty of a typical implementation of defocusing digital particle image velocimetry. The velocity field associated with a steadily rotating infinite plate was simulated to provide a bounded, fully three-dimensional analytical solution of the Navier–Stokes equations, allowing for robust analysis of the interpolation accuracy. The spatial resolution of the data (i.e. particle density) and the number of RBFs were varied in order to assess the requirements for accurate interpolation. Interpolation constraints, including boundary conditions and continuity, were included in the error metric used for the least-squares minimization that determines the interpolation parameters to explore methods for improving RBF interpolation results. Even spacing and logarithmic spacing of RBF locations were also investigated. Interpolation accuracy was assessed using the velocity field, divergence of the velocity field, and viscous torque on the rotating boundary. The results suggest that for the present implementation, RBF spacing of 0.28 times the boundary layer thickness is sufficient for accurate interpolation, though theoretical error analysis suggests that improved RBF positioning may yield more accurate results. All RBF interpolation results were compared to standard Gaussian weighting and Taylor expansion interpolation methods. Results showed that RBF interpolation improves interpolation results compared to the Taylor expansion method by 60% to 90% based on the average squared velocity error and provides comparable velocity results to Gaussian weighted interpolation in terms of velocity error. RMS accuracy of the flow field divergence was one to two orders of magnitude better for the RBF interpolation compared to the other two methods. RBF interpolation that was applied to
Voigt, M.; Lorenz, P.; Kruschke, T.; Osinski, R.; Ulbrich, U.; Leckebusch, G. C.
2012-04-01
Winterstorms and related gusts can cause extensive socio-economic damages. Knowledge about the occurrence and the small scale structure of such events may help to make regional estimations of storm losses. For a high spatial and temporal representation, the use of dynamical downscaling methods (RCM) is a cost-intensive and time-consuming option and therefore only applicable for a limited number of events. The current study explores a methodology to provide a statistical downscaling, which offers small scale structured gust fields from an extended large scale structured eventset. Radial-basis-function (RBF) networks in combination with bidirectional Kohonen (BDK) maps are used to generate the gustfields on a spatial resolution of 7 km from the 6-hourly mean sea level pressure field from ECMWF reanalysis data. BDK maps are a kind of neural network which handles supervised classification problems. In this study they are used to provide prototypes for the RBF network and give a first order approximation for the output data. A further interpolation is done by the RBF network. For the training process the 50 most extreme storm events over the North Atlantic area from 1957 to 2011 are used, which have been selected from ECMWF reanalysis datasets ERA40 and ERA-Interim by an objective wind based tracking algorithm. These events were downscaled dynamically by application of the DWD model chain GME → COSMO-EU. Different model parameters and their influence on the quality of the generated high-resolution gustfields are studied. It is shown that the statistical RBF network approach delivers reasonable results in modeling the regional gust fields for untrained events.
Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional
International Nuclear Information System (INIS)
Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro
2011-01-01
A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.
Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman
2008-04-24
We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results
DEFF Research Database (Denmark)
Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide
. This results in a decreased number of single point calculations required during the potential construction. Especially the Morse-like fit-basis functions are of interest, when combined with rectilinear hybrid optimized and localized coordinates (HOLCs), which can be generated as orthogonal transformations......The overall shape of a molecular energy surface can be very different for different molecules and different vibrational coordinates. This means that the fit-basis functions used to generate an analytic representation of a potential will be met with different requirements. It is therefore worthwhile...... single point calculations when constructing the molecular potential. We therefore present a uniform framework that can handle general fit-basis functions of any type which are specified on input. This framework is implemented to suit the black-box nature of the ADGA in order to avoid arbitrary choices...
Directory of Open Access Journals (Sweden)
Eyad K Almaita
2017-03-01
Keywords: Energy efficiency, Power quality, Radial basis function, neural networks, adaptive, harmonic. Article History: Received Dec 15, 2016; Received in revised form Feb 2nd 2017; Accepted 13rd 2017; Available online How to Cite This Article: Almaita, E.K and Shawawreh J.Al (2017 Improving Stability and Convergence for Adaptive Radial Basis Function Neural Networks Algorithm (On-Line Harmonics Estimation Application. International Journal of Renewable Energy Develeopment, 6(1, 9-17. http://dx.doi.org/10.14710/ijred.6.1.9-17
Energy Technology Data Exchange (ETDEWEB)
Lai, Cheng-Yu [Delaware State Univ., Dover, DE (United States); Radu, Daniela [Delaware State Univ., Dover, DE (United States); Univ. of Delaware, Newark, DE (United States)
2017-12-29
Carbon capture is an integral part of the CO_{2} mitigation efforts, and encompasses, among other measures, the demonstration of effective and inexpensive CO_{2} capture technologies. The project demonstrated a novel platform—the amine-functionalized stellate mesoporous silica nanosphere (MSN)—for effective CO_{2} absorption. The reported CO_{2} absorption data are superior to the performance of other reported silica matrices utilized for carbon capture, featuring an amount of over 4 milimoles CO_{2}/g sorbent at low temperatures (in the range of 30-45 ºC), selected for simulating the temperature of actual flue gas. The reported platform is highly resilient, showing recyclability and 85 % mass conservation of sorbent upon nine tested cycles. Importantly, the stellate MSNs show high CO_{2} selectivity at room temperature, indicating that the presence of nitrogen in flue gas will not impair the CO_{2} absorption performance. The results could lead to a simple and inexpensive new technology for CO_{2} mitigation which could be implemented as measure of CO_{2} mitigation in current fossil-fuel burning plants in the form of solid sorbent.
DSouza, Adora M; Abidin, Anas Zainul; Nagarajan, Mahesh B; Wismüller, Axel
2016-03-29
We investigate the applicability of a computational framework, called mutual connectivity analysis (MCA), for directed functional connectivity analysis in both synthetic and resting-state functional MRI data. This framework comprises of first evaluating non-linear cross-predictability between every pair of time series prior to recovering the underlying network structure using community detection algorithms. We obtain the non-linear cross-prediction score between time series using Generalized Radial Basis Functions (GRBF) neural networks. These cross-prediction scores characterize the underlying functionally connected networks within the resting brain, which can be extracted using non-metric clustering approaches, such as the Louvain method. We first test our approach on synthetic models with known directional influence and network structure. Our method is able to capture the directional relationships between time series (with an area under the ROC curve = 0.92 ± 0.037) as well as the underlying network structure (Rand index = 0.87 ± 0.063) with high accuracy. Furthermore, we test this method for network recovery on resting-state fMRI data, where results are compared to the motor cortex network recovered from a motor stimulation sequence, resulting in a strong agreement between the two (Dice coefficient = 0.45). We conclude that our MCA approach is effective in analyzing non-linear directed functional connectivity and in revealing underlying functional network structure in complex systems.
Are Nanoparticles Spherical or Quasi-Spherical?
Sokolov, Stanislav V; Batchelor-McAuley, Christopher; Tschulik, Kristina; Fletcher, Stephen; Compton, Richard G
2015-07-20
The geometry of quasi-spherical nanoparticles is investigated. The combination of SEM imaging and electrochemical nano-impact experiments is demonstrated to allow sizing and characterization of the geometry of single silver nanoparticles. © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim.
International Nuclear Information System (INIS)
Feng Weiguo; Wang Hongwei; Wu Xiang
1989-12-01
Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs
Rotationally invariant clustering of diffusion MRI data using spherical harmonics
DEFF Research Database (Denmark)
Liptrot, Matthew George; Lauze, Francois Bernard
2016-01-01
simple features that are invariant to the rotation of the highly orientational diffusion data. This provides a way to directly classify voxels whose diffusion characteristics are similar yet whose primary diffusion orientations differ. Subsequent application of machine-learning to the spherical harmonic...... data as a collection of spherical basis functions. We use the derived coefficients as voxelwise feature vectors for classification. Using a simple Gaussian mixture model, we examined the classification performance for a range of sub-classes (3-20). The results were compared against existing...... classification of DWI data can be performed without the need for a model reconstruction step. This avoids the potential confounds and uncertainty that such models may impose, and has the benefit of being computable directly from the DWI volumes. As such, the method could prove useful in subsequent pre...
Piret, Cé cile
2012-01-01
Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper
Kayri, Murat
2015-01-01
The objective of this study is twofold: (1) to investigate the factors that affect the success of university students by employing two artificial neural network methods (i.e., multilayer perceptron [MLP] and radial basis function [RBF]); and (2) to compare the effects of these methods on educational data in terms of predictive ability. The…
DEFF Research Database (Denmark)
Lee, Kyo-Beum; Bae, C.H.; Blaabjerg, Frede
2005-01-01
A scheme to estimate the moment of inertia in a servo motor drive system at very low speed is proposed. The typical speed estimation scheme used in most servo systems operated at low speed is highly sensitive to variations in the moment of inertia. An observer that uses a radial basis function...
Joosten, S.M.M.; van den Berg, Klaas; Mulder, F.
1990-01-01
Aan de Universiteit Twente is de afgelopen vier jaar geëxperimenteerd met een inleidende kursus in het programmeren, op basis van funktioneel programmeren. Dit artikel gaat in op het waarom van deze aanpak, de doelstelling van het programmeeronderwijs, de opzet en inhoud van de kursusonderdelen en
Leung, Ka-Ngo
2006-11-21
A spherical neutron generator is formed with a small spherical target and a spherical shell RF-driven plasma ion source surrounding the target. A deuterium (or deuterium and tritium) ion plasma is produced by RF excitation in the plasma ion source using an RF antenna. The plasma generation region is a spherical shell between an outer chamber and an inner extraction electrode. A spherical neutron generating target is at the center of the chamber and is biased negatively with respect to the extraction electrode which contains many holes. Ions passing through the holes in the extraction electrode are focused onto the target which produces neutrons by D-D or D-T reactions.
Directory of Open Access Journals (Sweden)
M. H. Alamatsaz
2014-03-01
Full Text Available As the input of MCNP code (Monte Carlo N - Particle code system, a monoenergetic and isotropic point source with the energy rangeg from 0.3 to 10 MeV was placed at the center of a spherical material surrounded by another one. The first shielding material was water and the second one was lead. The total thickness of the shield varied between 2 to 10 mfp. Then, using the output of MCNCP, exposure build up factor was calculated. The MCNP computed data were analyzed by plotting the buildup factor as a function of each independent variable (energy, first material thickness and second material thickness and observing the trends. Based on the trends, we examined many different expressions with different number of constants. By MINUIT the FORTRAN program, the constants were calculated, which gave the best agreement between the MCNP-computed exposure buildup factors and those obtained by the formula. At last, we developed a polynomial formula with 11 constants that reproduced exposure buildup factor with a relative error below 2% (in comparison with the MCNP result.
EEG-distributed inverse solutions for a spherical head model
Riera, J. J.; Fuentes, M. E.; Valdés, P. A.; Ohárriz, Y.
1998-08-01
The theoretical study of the minimum norm solution to the MEG inverse problem has been carried out in previous papers for the particular case of spherical symmetry. However, a similar study for the EEG is remarkably more difficult due to the very complicated nature of the expression relating the voltage differences on the scalp to the primary current density (PCD) even for this simple symmetry. This paper introduces the use of the electric lead field (ELF) on the dyadic formalism in the spherical coordinate system to overcome such a drawback using an expansion of the ELF in terms of longitudinal and orthogonal vector fields. This approach allows us to represent EEG Fourier coefficients on a 2-sphere in terms of a current multipole expansion. The choice of a suitable basis for the Hilbert space of the PCDs on the brain region allows the current multipole moments to be related by spatial transfer functions to the PCD spectral coefficients. Properties of the most used distributed inverse solutions are explored on the basis of these results. Also, a part of the ELF null space is completely characterized and those spherical components of the PCD which are possible silent candidates are discussed.
Elastic interaction between surface and spherical pore
International Nuclear Information System (INIS)
Ganeev, G.Z.; Kadyrzhanov, K.K.; Kislitsyn, S.B.; Turkebaev, T.Eh.
2000-01-01
The energy of elastic interaction of a gas-filled spherical cavity with a boundary of an elastic isotropic half-space is determined. The elastic field of a system of a spherical cavity - boundary is represented as an expansion in series of potential functions. The factors of expansions are determined by boundary conditions on a free surface of an elastic half-space and on a spherical surface of a cavity with pressure of gas P. Function of a Tresca-Miesesa on a surface of elastic surface is defined additionally with purpose creep condition determination caused by gas pressure in the cavity. (author)
Monodromy in the quantum spherical pendulum
International Nuclear Information System (INIS)
Guillemin, V.; Uribe, A.
1989-01-01
In this article we show that monodromy in the quantum spherical pendulum can be interpreted as a Maslov effect: i.e. as multi-valuedness of a certain generating function of the quantum energy levels. (orig.)
An editor for the maintenance and use of a bank of contracted Gaussian basis set functions
International Nuclear Information System (INIS)
Taurian, O.E.
1984-01-01
A bank of basis sets to be used in ab-initio calculations has been created. The bases are sets of contracted Gaussian type orbitals to be used as input to any molecular integral package. In this communication we shall describe the organization of the bank and a portable editor program which was designed for its maintenance and use. This program is operated by commands and it may be used to obtain any kind of information about the bases in the bank as well as to produce output to be directly used as input for different integral programs. The editor may also be used to format basis sets in the conventional way utilized in publications, as well as to generate a complete, or partial, manual of the contents of the bank if so desired. (orig.)
Cellular and molecular basis of chronic constipation: Taking the functional/idiopathic label out
Bassotti, Gabrio; Villanacci, Vincenzo; Creƫoiu, Dragos; Creƫoiu, Sanda Maria; Becheanu, Gabriel
2013-01-01
In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called “functional” or “idiopathic” disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable a...
Bubin, Sergiy; Adamowicz, Ludwik
2008-03-01
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.
Bubin, Sergiy; Adamowicz, Ludwik
2008-03-21
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.
Leclerc, Arnaud; Thomas, Phillip S.; Carrington, Tucker
2017-08-01
Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analysed and the numerical results are compared with those obtained with the reduced rank block power method. Relative merits of the different algorithms are presented, showing that the advantage of using a more sophisticated method, although mitigated by the use of reduced-rank SOP functions, is noticeable in terms of CPU time.
DEFF Research Database (Denmark)
Xu, Chunsheng; Zhang, Dongfeng; Tian, Xiaocao
2017-01-01
for cognition with handgrip strength, FTSST, near visual acuity, and number of teeth lost. Cognitive function was genetically related to pulmonary function. The FTSST and cognition shared almost the same common environmental factors but only part of the unique environmental factors, both with negative......Although the correlation between cognition and physical function has been well studied in the general population, the genetic and environmental nature of the correlation has been rarely investigated. We conducted a classical twin analysis on cognitive and physical function, including forced...... and cognitive function. Bivariate analysis showed mildly positively genetic correlations between cognition and FEV1, r G = 0.23 [95% CI: 0.03, 0.62], as well as FVC, r G = 0.35 [95% CI: 0.06, 1.00]. We found that FTSST and cognition presented very high common environmental correlation, r C = -1.00 [95% CI: -1...
The genetic basis for altered blood vessel function in disease: large artery stiffening
Directory of Open Access Journals (Sweden)
Alex Agrotis
2005-12-01
Full Text Available Alex AgrotisThe Cell Biology Laboratory, Baker Heart Research Institute, Melbourne, Victoria, AustraliaAbstract: The progressive stiffening of the large arteries in humans that occurs during aging constitutes a potential risk factor for increased cardiovascular morbidity and mortality, and is accompanied by an elevation in systolic blood pressure and pulse pressure. While the underlying basis for these changes remains to be fully elucidated, factors that are able to influence the structure and composition of the extracellular matrix and the way it interacts with arterial smooth muscle cells could profoundly affect the properties of the large arteries. Thus, while age and sex represent important factors contributing to large artery stiffening, the variation in growth-stimulating factors and those that modulate extracellular production and homeostasis are also being increasingly recognized to play a key role in the process. Therefore, elucidating the contribution that genetic variation makes to large artery stiffening could ultimately provide the basis for clinical strategies designed to regulate the process for therapeutic benefit.Keywords: arterial stiffness, genes, polymorphism, extracellular matrix proteins
The Functional Basis of Wing Patterning in Heliconius Butterflies: The Molecules Behind Mimicry
Kronforst, Marcus R.; Papa, Riccardo
2015-01-01
Wing-pattern mimicry in butterflies has provided an important example of adaptation since Charles Darwin and Alfred Russell Wallace proposed evolution by natural selection >150 years ago. The neotropical butterfly genus Heliconius played a central role in the development of mimicry theory and has since been studied extensively in the context of ecology and population biology, behavior, and mimicry genetics. Heliconius species are notable for their diverse color patterns, and previous crossing experiments revealed that much of this variation is controlled by a small number of large-effect, Mendelian switch loci. Recent comparative analyses have shown that the same switch loci control wing-pattern diversity throughout the genus, and a number of these have now been positionally cloned. Using a combination of comparative genetic mapping, association tests, and gene expression analyses, variation in red wing patterning throughout Heliconius has been traced back to the action of the transcription factor optix. Similarly, the signaling ligand WntA has been shown to control variation in melanin patterning across Heliconius and other butterflies. Our understanding of the molecular basis of Heliconius mimicry is now providing important insights into a variety of additional evolutionary phenomena, including the origin of supergenes, the interplay between constraint and evolvability, the genetic basis of convergence, the potential for introgression to facilitate adaptation, the mechanisms of hybrid speciation in animals, and the process of ecological speciation. PMID:25953905
Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
Liu, Zhihai; Su, Minyi; Han, Li; Liu, Jie; Yang, Qifan; Li, Yan; Wang, Renxiao
2017-02-21
In structure-based drug design, scoring functions are widely used for fast evaluation of protein-ligand interactions. They are often applied in combination with molecular docking and de novo design methods. Since the early 1990s, a whole spectrum of protein-ligand interaction scoring functions have been developed. Regardless of their technical difference, scoring functions all need data sets combining protein-ligand complex structures and binding affinity data for parametrization and validation. However, data sets of this kind used to be rather limited in terms of size and quality. On the other hand, standard metrics for evaluating scoring function used to be ambiguous. Scoring functions are often tested in molecular docking or even virtual screening trials, which do not directly reflect the genuine quality of scoring functions. Collectively, these underlying obstacles have impeded the invention of more advanced scoring functions. In this Account, we describe our long-lasting efforts to overcome these obstacles, which involve two related projects. On the first project, we have created the PDBbind database. It is the first database that systematically annotates the protein-ligand complexes in the Protein Data Bank (PDB) with experimental binding data. This database has been updated annually since its first public release in 2004. The latest release (version 2016) provides binding data for 16 179 biomolecular complexes in PDB. Data sets provided by PDBbind have been applied to many computational and statistical studies on protein-ligand interaction and various subjects. In particular, it has become a major data resource for scoring function development. On the second project, we have established the Comparative Assessment of Scoring Functions (CASF) benchmark for scoring function evaluation. Our key idea is to decouple the "scoring" process from the "sampling" process, so scoring functions can be tested in a relatively pure context to reflect their quality. In our
Development of a Technical Basis and Guidance for Advanced SMR Function Allocation
Energy Technology Data Exchange (ETDEWEB)
Jacques Hugo; David Gertman; Jeffrey Joe; Ronal Farris; April Whaley; Heather Medema
2013-09-01
This report presents the results from three key activities for FY13 that influence the definition of new concepts of operations for advanced Small Modular Reactors (AdvSMR: a) the development of a framework for the analysis of the functional environmental, and structural attributes, b) the effect that new technologies and operational concepts would have on the way functions are allocated to humans or machines or combinations of the two, and c) the relationship between new concepts of operations, new function allocations, and human performance requirements.
Abdelkarim M. Ertiame; D. W. Yu; D. L. Yu; J. B. Gomm
2015-01-01
In this paper, a robust fault detection and isolation (FDI) scheme is developed to monitor a multivariable nonlinear chemical process called the Chylla-Haase polymerization reactor, when it is under the cascade PI control. The scheme employs a radial basis function neural network (RBFNN) in an independent mode to model the process dynamics, and using the weighted sum-squared prediction error as the residual. The Recursive Orthogonal Least Squares algorithm (ROLS) is emplo...
International Nuclear Information System (INIS)
Child, M S; Hiyama, M
2007-01-01
It is shown that the inherent arbitrariness in the construction of basis functions in quantum defect theory allows a choice that eliminates the occurrence of false roots of the quantization condition, with energies below the minimum of the channel potential. Comparisons are given with the well-known Ham procedure and with the more recent generalization to arbitrary fields by Jungen and Texier. The significance of the results for ab initio R matrix/MQDT studies is also discussed
Molecular Basis of Cardiac Delayed Rectifier Potassium Channel Function and Pharmacology.
Wu, Wei; Sanguinetti, Michael C
2016-06-01
Human cardiomyocytes express 3 distinct types of delayed rectifier potassium channels. Human ether-a-go-go-related gene (hERG) channels conduct the rapidly activating current IKr; KCNQ1/KCNE1 channels conduct the slowly activating current IKs; and Kv1.5 channels conduct an ultrarapid activating current IKur. Here the authors provide a general overview of the mechanistic and structural basis of ion selectivity, gating, and pharmacology of the 3 types of cardiac delayed rectifier potassium ion channels. Most blockers bind to S6 residues that line the central cavity of the channel, whereas activators interact with the channel at 4 symmetric binding sites outside the cavity. Copyright © 2016 Elsevier Inc. All rights reserved.
Kolmann, Stephen J.; Jordan, Meredith J. T.
2010-02-01
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Kolmann, Stephen J; Jordan, Meredith J T
2010-02-07
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Pupil filter design by using a Bessel functions basis at the image plane.
Canales, Vidal F; Cagigal, Manuel P
2006-10-30
Many applications can benefit from the use of pupil filters for controlling the light intensity distribution near the focus of an optical system. Most of the design methods for such filters are based on a second-order expansion of the Point Spread Function (PSF). Here, we present a new procedure for designing radially-symmetric pupil filters. It is more precise than previous procedures as it considers the exact expression of the PSF, expanded as a function of first-order Bessel functions. Furthermore, this new method presents other advantages: the height of the side lobes can be easily controlled, it allows the design of amplitude-only, phase-only or hybrid filters, and the coefficients of the PSF expansion can be directly related to filter parameters. Finally, our procedure allows the design of filters with very different behaviours and optimal performance.
Concepts of soil mapping as a basis for the assessment of soil functions
Baumgarten, Andreas
2014-05-01
Soil mapping systems in Europe have been designed mainly as a tool for the description of soil characteristics from a morphogenetic viewpoint. Contrasting to the American or FAO system, the soil development has been in the main focus of European systems. Nevertheless , recent developments in soil science stress the importance of the functions of soils with respect to the ecosystems. As soil mapping systems usually offer a sound and extensive database, the deduction of soil functions from "classic" mapping parameters can be used for local and regional assessments. According to the used pedo-transfer functions and mapping systems, tailored approaches can be chosen for different applications. In Austria, a system mainly for spatial planning purposes has been developed that will be presented and illustrated by means of best practice examples.
Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias
2007-11-01
The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Møller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.
The molecular basis of convergence in hemoglobin function in high-altitude Andean birds
DEFF Research Database (Denmark)
Storz, Jay; Natarajan, Chandrasekhar; Witt, Christopher C.
2016-01-01
Max Perutz predicted that adaptive changes in functional properties of vertebrate hemoglobin (Hb) would typically be attributable to a small number of substitutions at key residue positions (1983, Mol. Biol. Evol.). According to Perutz, amino acid substitutions that can be expected to make especi...
Modeling of the Gross Regional Product on the Basis of Production Functions
Sadovin, Nikolay S.; Kokotkina, Tatiana N.; Barkalova, Tatiana G.; Tsaregorodsev, Evgeny I.
2016-01-01
The article is devoted to elaboration and construction of a static model of macroeconomics in which economics is considered as an unstructured holistic unit, the input of which receives the resources, and the output is the result of the functioning of economics in the form of gross domestic product or gross regional product. Resources are…
Kryven, I.; Röblitz, S; Schütte, C.
2015-01-01
Background: The chemical master equation is the fundamental equation of stochastic chemical kinetics. This differential-difference equation describes temporal evolution of the probability density function for states of a chemical system. A state of the system, usually encoded as a vector, represents
International Nuclear Information System (INIS)
Keppler, Jan Horst; Meunier, William; Coquentin, Alexandre
2017-01-01
Interconnections for cross-border electricity flows are at the heart of the project to create a common European electricity market. At the time, increase in production from variable renewables clustered during a limited numbers of hours reduces the availability of existing transport infrastructures. This calls for higher levels of optimal interconnection capacity than in the past. In complement to existing scenario-building exercises such as the TYNDP that respond to the challenge of determining optimal levels of infrastructure provision, the present paper proposes a new empirically-based methodology to perform Cost-Benefit analysis for the determination of optimal interconnection capacity, using as an example the French-German cross-border trade. Using a very fine dataset of hourly supply and demand curves (aggregated auction curves) for the year 2014 from the EPEX Spot market, it constructs linearized net export (NEC) and net import demand curves (NIDC) for both countries. This allows assessing hour by hour the welfare impacts for incremental increases in interconnection capacity. Summing these welfare increases over the 8 760 hours of the year, this provides the annual total for each step increase of interconnection capacity. Confronting welfare benefits with the annual cost of augmenting interconnection capacity indicated the socially optimal increase in interconnection capacity between France and Germany on the basis of empirical market micro-data. (authors)
Specific neural basis of Chinese idioms processing: an event-related functional MRI study
International Nuclear Information System (INIS)
Chen Shaoqi; Zhang Yanzhen; Xiao Zhuangwei; Zhang Xuexin
2007-01-01
Objective: To address the neural basis of Chinese idioms processing with different kinds of stimuli using an event-related fMRI design. Methods: Sixteen native Chinese speakers were asked to perform a semantic decision task during fMRI scanning. Three kinds of stimuli were used: Real idioms (Real-idiom condition); Literally plausible phrases (Pseudo-idiom condition, the last character of a real idiom was replaced by a character with similar meaning); Literally implausible strings (Non-idiom condition, the last character of a real idiom was replaced by a character with unrelated meaning). Reaction time and correct rate were recorded at the same time. Results: The error rate was 2.6%, 5.2% and 0.9% (F=3.51, P 0.05) for real idioms, pseudo-idioms and wrong idioms, respectively. Similar neural network was activated in all of the three conditions. However, the right hippocampus was only activated in the real idiom condition, and significant activations were found in anterior portion of left inferior frontal gyms (BA47) in real-and pseudo-idiom conditions, but not in non-idiom condition. Conclusion: The right hippocampus plays a specific role in the particular wording of the Chinese idioms. And the left anterior inferior frontal gyms (BA47) may be engaged in the semantic processing of Chinese idioms. The results support the notion that there were specific neural bases for Chinese idioms processing. (authors)
Resting state functional connectivity: its physiological basis and application in neuropharmacology.
Lu, Hanbing; Stein, Elliot A
2014-09-01
Brain structures do not work in isolation; they work in concert to produce sensory perception, motivation and behavior. Systems-level network activity can be investigated by resting state magnetic resonance imaging (rsMRI), an emerging neuroimaging technique that assesses the synchrony of the brain's ongoing spontaneous activity. Converging evidence reveals that rsMRI is able to consistently identify distinct spatiotemporal patterns of large-scale brain networks. Dysregulation within and between these networks has been implicated in a number of neurodegenerative and neuropsychiatric disorders, including Alzheimer's disease and drug addiction. Despite wide application of this approach in systems neuroscience, the physiological basis of these fluctuations remains incompletely understood. Here we review physiological studies in electrical, metabolic and hemodynamic fluctuations that are most pertinent to the rsMRI signal. We also review recent applications to neuropharmacology - specifically drug effects on resting state fluctuations. We speculate that the mechanisms governing spontaneous fluctuations in regional oxygenation availability likely give rise to the observed rsMRI signal. We conclude by identifying several open questions surrounding this technique. This article is part of the Special Issue Section entitled 'Neuroimaging in Neuropharmacology'. Published by Elsevier Ltd.
Modeling mantle convection in the spherical annulus
Hernlund, John W.; Tackley, Paul J.
2008-12-01
Most methods for modeling mantle convection in a two-dimensional (2D) circular annular domain suffer from innate shortcomings in their ability to capture several characteristics of the spherical shell geometry of planetary mantles. While methods such as rescaling the inner and outer radius to reduce anomalous effects in a 2D polar cylindrical coordinate system have been introduced and widely implemented, such fixes may have other drawbacks that adversely affect the outcome of some kinds of mantle convection studies. Here we propose a new approach that we term the "spherical annulus," which is a 2D slice that bisects the spherical shell and is quantitatively formulated at the equator of a spherical polar coordinate system after neglecting terms in the governing equations related to variations in latitude. Spherical scaling is retained in this approximation since the Jacobian function remains proportional to the square of the radius. We present example calculations to show that the behavior of convection in the spherical annulus compares favorably against calculations performed in other 2D annular domains when measured relative to those in a fully three-dimensional (3D) spherical shell.
The neuropathological basis to the functional role of microglia/macrophages in gliomas.
Schiffer, Davide; Mellai, Marta; Bovio, Enrica; Annovazzi, Laura
2017-09-01
The paper wants to be a tracking shot of the main recent acquisitions on the function and significance of microglia/macrophages in gliomas. The observations have been principally carried out on in vitro cultures and on tumor transplants in animals. Contrary to what is deduced from microglia in non-neoplastic pathologic conditions of central nervous system (CNS), most conclusions indicate that microglia acts favoring tumor proliferation through an immunosuppression induced by glioma cells. By immunohistochemistry, different microglia phenotypes are recognized in gliomas, from ramified microglia to frank macrophagic aspect. One wonders whether the functional conclusions drawn from many microglia studies, but not in conditions of human pathology, apply to all the phenotypes recognizable in them. It is difficult to verify in human pathology a prognostic significance of microglia. Only CD163-positive microglia/macrophages inversely correlate with glioma patients' survival, whereas the total number of microglia does not change with the malignancy grade.
Plant functional modelling as a basis for assessing the impact of management on plant safety
International Nuclear Information System (INIS)
Rasmussen, Birgitte; Petersen, Kurt E.
1999-01-01
A major objective of the present work is to provide means for representing a chemical process plant as a socio-technical system, so as to allow hazard identification at a high level in order to identify major targets for safety development. The main phases of the methodology are: (1) preparation of a plant functional model where a set of plant functions describes coherently hardware, software, operations, work organization and other safety related aspects. The basic principle is that any aspect of the plant can be represented by an object based upon an Intent and associated with each Intent are Methods, by which the Intent is realized, and Constraints, which limit the Intent. (2) Plant level hazard identification based on keywords/checklists and the functional model. (3) Development of incident scenarios and selection of hazardous situation with different safety characteristics. (4) Evaluation of the impact of management on plant safety through interviews. (5) Identification of safety critical ways of action in the management system, i.e. identification of possible error- and violation-producing conditions
Energy Technology Data Exchange (ETDEWEB)
Jacques Hugo; John Forester; David Gertman; Jeffrey Joe; Heather Medema; Julius Persensky; April Whaley
2013-04-01
This report presents preliminary research results from the investigation in to the development of new models and guidance for concepts of operations (ConOps) in advanced small modular reactor (aSMR) designs. In support of this objective, three important research areas were included: operating principles of multi-modular plants, functional allocation models and strategies that would affect the development of new, non-traditional concept of operations, and the requiremetns for human performance, based upon work domain analysis and current regulatory requirements. As part of the approach for this report, we outline potential functions, including the theoretical and operational foundations for the development of a new functional allocation model and the identification of specific regulatory requirements that will influence the development of future concept of operations. The report also highlights changes in research strategy prompted by confirmationof the importance of applying the work domain analysis methodology to a reference aSMR design. It is described how this methodology will enrich the findings from this phase of the project in the subsequent phases and help in identification of metrics and focused studies for the determination of human performance criteria that can be used to support the design process.
Analysis of a spherical permanent magnet actuator
International Nuclear Information System (INIS)
Wang, J.; Jewell, G.W.; Howe, D.
1997-01-01
This paper describes a new form of actuator with a spherical permanent magnet rotor and a simple winding arrangement, which is capable of a high specific torque by utilizing a rare-earth permanent magnet. The magnetic-field distribution is established using an analytical technique formulated in spherical coordinates, and the results are validated by finite element analysis. The analytical field solution allows the prediction of the actuator torque and back emf in closed forms. In turn, these facilitate the characterization of the actuator and provide a firm basis for design optimization, system dynamic modeling, and closed-loop control law development. copyright 1997 American Institute of Physics
A Sequential Optimization Sampling Method for Metamodels with Radial Basis Functions
Pan, Guang; Ye, Pengcheng; Yang, Zhidong
2014-01-01
Metamodels have been widely used in engineering design to facilitate analysis and optimization of complex systems that involve computationally expensive simulation programs. The accuracy of metamodels is strongly affected by the sampling methods. In this paper, a new sequential optimization sampling method is proposed. Based on the new sampling method, metamodels can be constructed repeatedly through the addition of sampling points, namely, extrema points of metamodels and minimum points of density function. Afterwards, the more accurate metamodels would be constructed by the procedure above. The validity and effectiveness of proposed sampling method are examined by studying typical numerical examples. PMID:25133206
Brandenburg, Jan Gerit; Alessio, Maristella; Civalleri, Bartolomeo; Peintinger, Michael F; Bredow, Thomas; Grimme, Stefan
2013-09-26
We extend the previously developed geometrical correction for the inter- and intramolecular basis set superposition error (gCP) to periodic density functional theory (DFT) calculations. We report gCP results compared to those from the standard Boys-Bernardi counterpoise correction scheme and large basis set calculations. The applicability of the method to molecular crystals as the main target is tested for the benchmark set X23. It consists of 23 noncovalently bound crystals as introduced by Johnson et al. (J. Chem. Phys. 2012, 137, 054103) and refined by Tkatchenko et al. (J. Chem. Phys. 2013, 139, 024705). In order to accurately describe long-range electron correlation effects, we use the standard atom-pairwise dispersion correction scheme DFT-D3. We show that a combination of DFT energies with small atom-centered basis sets, the D3 dispersion correction, and the gCP correction can accurately describe van der Waals and hydrogen-bonded crystals. Mean absolute deviations of the X23 sublimation energies can be reduced by more than 70% and 80% for the standard functionals PBE and B3LYP, respectively, to small residual mean absolute deviations of about 2 kcal/mol (corresponding to 13% of the average sublimation energy). As a further test, we compute the interlayer interaction of graphite for varying distances and obtain a good equilibrium distance and interaction energy of 6.75 Å and -43.0 meV/atom at the PBE-D3-gCP/SVP level. We fit the gCP scheme for a recently developed pob-TZVP solid-state basis set and obtain reasonable results for the X23 benchmark set and the potential energy curve for water adsorption on a nickel (110) surface.
Thermal Remote Sensing: A Powerful Tool in the Characterization of Landscapes on a Functional Basis
Jeffrey, Luvall C.; Kay, James; Fraser, Roydon
1999-01-01
Thermal remote sensing instruments can function as environmental measuring tools, with capabilities leading toward new directions in functional landscape ecology. Theoretical deduction and phenomenological observation leads us to believe that the second law of thermodynamics requires that all dynamically systems develop in a manner which dissipates gradients as rapidly as possible within the constraints of the system at hand. The ramification of this requirement is that dynamical systems will evolve dissipative structures which grow and complexify over time. This perspective has allowed us to develop a framework for discussing ecosystem development and integrity. In the context of this framework we have developed measures of development and integrity for ecosystems. One set of these measures is based on destruction of the exergy content of incoming solar energy. More developed ecosystems will be more effective at dissipating the solar gradient (destroying its exergy content). This can be measured by the effective surface temperature of the ecosystem on a landscape scale. These surface temperatures are measured using airborne thermal scanners such as the Thermal Infrared Multispectral Scanner (TIMS) and the Airborne Thermal/Visible Land Application Sensor(ATLAS) sensors. An analysis of agriculture and forest ecosystems will be used to illustrate the concept of ecological thermodynamics and the development of ecosystems.
The functional and structural neural basis of individual differences in loss aversion.
Canessa, Nicola; Crespi, Chiara; Motterlini, Matteo; Baud-Bovy, Gabriel; Chierchia, Gabriele; Pantaleo, Giuseppe; Tettamanti, Marco; Cappa, Stefano F
2013-09-04
Decision making under risk entails the anticipation of prospective outcomes, typically leading to the greater sensitivity to losses than gains known as loss aversion. Previous studies on the neural bases of choice-outcome anticipation and loss aversion provided inconsistent results, showing either bidirectional mesolimbic responses of activation for gains and deactivation for losses, or a specific amygdala involvement in processing losses. Here we focused on loss aversion with the aim to address interindividual differences in the neural bases of choice-outcome anticipation. Fifty-six healthy human participants accepted or rejected 104 mixed gambles offering equal (50%) chances of gaining or losing different amounts of money while their brain activity was measured with functional magnetic resonance imaging (fMRI). We report both bidirectional and gain/loss-specific responses while evaluating risky gambles, with amygdala and posterior insula specifically tracking the magnitude of potential losses. At the individual level, loss aversion was reflected both in limbic fMRI responses and in gray matter volume in a structural amygdala-thalamus-striatum network, in which the volume of the "output" centromedial amygdala nuclei mediating avoidance behavior was negatively correlated with monetary performance. We conclude that outcome anticipation and ensuing loss aversion involve multiple neural systems, showing functional and structural individual variability directly related to the actual financial outcomes of choices. By supporting the simultaneous involvement of both appetitive and aversive processing in economic decision making, these results contribute to the interpretation of existing inconsistencies on the neural bases of anticipating choice outcomes.
International Nuclear Information System (INIS)
Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo
1999-01-01
We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)
Protein Tyrosine Nitration: Biochemical Mechanisms and Structural Basis of its Functional Effects
Radi, Rafael
2012-01-01
CONSPECTUS The nitration of protein tyrosine residues to 3-nitrotyrosine represents an oxidative postranslational modification that unveils the disruption of nitric oxide (•NO) signaling and metabolism towards pro-oxidant processes. Indeed, excess levels of reactive oxygen species in the presence of •NO or •NO-derived metabolites lead to the formation of nitrating species such as peroxynitrite. Thus, protein 3-nitrotyrosine has been established as a biomarker of cell, tissue and systemic “nitroxidative stress”. Moreover, tyrosine nitration modifies key properties of the amino acid (i.e. phenol group pKa, redox potential, hydrophobicity and volume). Thus, the incorporation of a nitro group (−NO2) to protein tyrosines can lead to profound structural and functional changes, some of which contribute to altered cell and tissue homeostasis. In this Account, I describe our current efforts to define 1) biologically-relevant mechanisms of protein tyrosine nitration and 2) how this modification can cause changes in protein structure and function at the molecular level. First, the relevance of protein tyrosine nitration via free radical-mediated reactions (in both peroxynitrite-dependent or independent pathways) involving the intermediacy of tyrosyl radical (Tyr•) will be underscored. This feature of the nitration process becomes critical as Tyr• can take variable fates, including the formation of 3-nitrotyrosine. Fast kinetic techniques, electron paramagnetic resonance (EPR) studies, bioanalytical methods and kinetic simulations have altogether assisted to characterize and fingerprint the reactions of tyrosine with peroxynitrite and one-electron oxidants and its further evolution to 3-nitrotyrosine. Recent findings show that nitration of tyrosines in proteins associated to biomembranes is linked to the lipid peroxidation process via a connecting reaction that involves the one-electron oxidation of tyrosine by lipid peroxyl radicals (LOO•). Second
The spherical sector of the Calogero model as a reduced matrix model
Energy Technology Data Exchange (ETDEWEB)
Hakobyan, Tigran, E-mail: hakob@yerphi.am [Yerevan State University, 1 Alex Manoogian, 0025 Yerevan (Armenia); Yerevan Physics Institute, 2 Alikhanyan Br., 0036 Yerevan (Armenia); Lechtenfeld, Olaf, E-mail: lechtenf@itp.uni-hannover.de [Leibniz Universitaet Hannover, Institut fuer Theoretische Physik, Appelstr. 2, D-30167 Hannover (Germany); Nersessian, Armen, E-mail: arnerses@ysu.am [Yerevan State University, 1 Alex Manoogian, 0025 Yerevan (Armenia)
2012-05-11
We investigate the matrix-model origin of the spherical sector of the rational Calogero model and its constants of motion. We develop a diagrammatic technique which allows us to find explicit expressions of the constants of motion and calculate their Poisson brackets. In this way we obtain all functionally independent constants of motion to any given order in the momenta. Our technique is related to the valence-bond basis for singlet states.
Comparing the Robustness of Evolutionary Algorithms on the Basis of Benchmark Functions
Directory of Open Access Journals (Sweden)
DENIZ ULKER, E.
2013-05-01
Full Text Available In real-world optimization problems, even though the solution quality is of great importance, the robustness of the solution is also an important aspect. This paper investigates how the optimization algorithms are sensitive to the variations of control parameters and to the random initialization of the solution set for fixed control parameters. The comparison is performed of three well-known evolutionary algorithms which are Particle Swarm Optimization (PSO algorithm, Differential Evolution (DE algorithm and the Harmony Search (HS algorithm. Various benchmark functions with different characteristics are used for the evaluation of these algorithms. The experimental results show that the solution quality of the algorithms is not directly related to their robustness. In particular, the algorithm that is highly robust can have a low solution quality, or the algorithm that has a high quality of solution can be quite sensitive to the parameter variations.
Nanocomposites based on thermoplastic elastomers with functional basis of nano titanium dioxide
Energy Technology Data Exchange (ETDEWEB)
Yulovskaya, V. D.; Kuz’micheva, G. M., E-mail: galina-kuzmicheva@list.ru [Federal State Budget Educational Institution of Higher Education “Moscow Technological University” (Russian Federation); Klechkovskaya, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Orekhov, A. S.; Zubavichus, Ya. V. [National Research Centre “Kurchatov Institute” (Russian Federation); Domoroshchina, E. N.; Shegay, A. V. [Federal State Budget Educational Institution of Higher Education “Moscow Technological University” (Russian Federation)
2016-03-15
Nanocomposites based on a thermoplastic elastomer (TPE) (low-density polyethylene (LDPE) and 1,2-polybutadiene in a ratio of 60/40) with functional titanium dioxide nanoparticles of different nature, TiO{sub 2}/TPE, have been prepared and investigated by a complex of methods (X-ray diffraction analysis using X-ray and synchrotron radiation beams, scanning electron microscopy, transmission electron microscopy, and X-ray energy-dispersive spectroscopy). The morphology of the composites is found to be somewhat different, depending on the TiO{sub 2} characteristics. It is revealed that nanocomposites with cellular or porous structures containing nano-TiO{sub 2} aggregates with a large specific surface and large sizes of crystallites and nanoparticles exhibit the best deformation‒strength and fatigue properties and stability to the effect of active media under conditions of ozone and vapor‒air aging.
Measurement of Turbulence Modulation by Non-Spherical Particles
DEFF Research Database (Denmark)
Mandø, Matthias; Rosendahl, Lasse
2010-01-01
The change in the turbulence intensity of an air jet resulting from the addition of particles to the flow is measured using Laser Doppler Anemometry. Three distinct shapes are considered: the prolate spheroid, the disk and the sphere. Measurements of the carrier phase and particle phase velocities...... at the centerline of the jet are carried out for mass loadings of 0.5, 1, 1.6 and particle sizes 880μm, 1350μm, 1820μm for spherical particles. For each non-spherical shape only a single size and loading are considered. The turbulence modulation of the carrier phase is found to highly dependent on the turbulence......, the particle mass flow and the integral length scale of the flow. The expression developed on basis of spherical particles only is applied on the data for the non-spherical particles. The results suggest that non-spherical particles attenuate the carrier phase turbulence significantly more than spherical...
Chaudhary, Nitika; Sandhu, Padmani; Ahmed, Mushtaq; Akhter, Yusuf
2017-02-01
Trichothecenes are the sesquiterpenes secreted by Trichoderma spp. residing in the rhizosphere. These compounds have been reported to act as plant growth promoters and bio-control agents. The structural knowledge for the transporter proteins of their efflux remained limited. In this study, three-dimensional structure of Thmfs1 protein, a trichothecene transporter from Trichoderma harzianum, was homology modelled and further Molecular Dynamics (MD) simulations were used to decipher its mechanism. Fourteen transmembrane helices of Thmfs1 protein are observed contributing to an inward-open conformation. The transport channel and ligand binding sites in Thmfs1 are identified based on heuristic, iterative algorithm and structural alignment with homologous proteins. MD simulations were performed to reveal the differential structural behaviour occurring in the ligand free and ligand bound forms. We found that two discrete trichothecene binding sites are located on either side of the central transport tunnel running from the cytoplasmic side to the extracellular side across the Thmfs1 protein. Detailed analysis of the MD trajectories showed an alternative access mechanism between N and C-terminal domains contributing to its function. These results also demonstrate that the transport of trichodermin occurs via hopping mechanism in which the substrate molecule jumps from one binding site to another lining the transport tunnel. Copyright © 2016 Elsevier B.V. All rights reserved.
Directory of Open Access Journals (Sweden)
Lars H. Wegner
2017-03-01
Full Text Available Current concepts of plant membrane transport are based on the assumption that water and solutes move across membranes via separate pathways. According to this view, coupling between the fluxes is more or less exclusively constituted via the osmotic force that solutes exert on water transport. This view is questioned here, and experimental evidence for a cotransport of water and solutes is reviewed. The overview starts with ion channels that provide pathways for both ion and water transport, as exemplified for maxi K+ channels from cytoplasmic droplets of Chara corallina. Aquaporins are usually considered to be selective for water (just allowing for slippage of some other small, neutral molecules. Recently, however, a “dual function” aquaporin has been characterized from Arabidopsis thaliana (AtPIP2.1 that translocates water and at the same time conducts cations, preferentially Na+. By analogy with mammalian physiology, other candidates for solute-water flux coupling are cation-chloride cotransporters of the CCC type, and transporters of sugars and amino acids. The last part is dedicated to possible physiological functions that could rely on solute-water cotransport. Among these are the generation of root pressure, refilling of embolized xylem vessels, fast turgor-driven movements of leaves, cell elongation (growth, osmoregulation and adjustment of buoyancy in marine algae. This review will hopefully initiate further research in the field.
Discerning Thermodynamic Basis of Self-Organization in Critical Zone Structure and Function
Richardson, M.; Kumar, P.
2017-12-01
Self-organization characterizes the spontaneous emergence of order. Self-organization in the Critical Zone, the region of Earth's skin from below the groundwater table to the top of the vegetation canopy, involves the interaction of biotic and abiotic processes occurring through a hierarchy of temporal and spatial scales. The self-organization is sustained through input of energy and material in an open system framework, and the resulting formations are called dissipative structures. Why do these local states of organization form and how are they thermodynamically favorable? We hypothesize that structure formation is linked to energy conversion and matter throughput rates across driving gradients. Furthermore, we predict that structures in the Critical Zone evolve based on local availability of nutrients, water, and energy. By considering ecosystems as open thermodynamic systems, we model and study the throughput signatures on short times scales to determine origins and characteristics of ecosystem structure. This diagnostic approach allows us to use fluxes of matter and energy to understand the thermodynamic drivers of the system. By classifying the fluxes and dynamics in a system, we can identify patterns to determine the thermodynamic drivers for organized states. Additionally, studying the partitioning of nutrients, water, and energy throughout ecosystems through dissipative structures will help identify reasons for structure shapes and how these shapes impact major Critical Zone functions.
Gronnier, Julien; Crowet, Jean-Marc; Habenstein, Birgit; Nasir, Mehmet Nail; Bayle, Vincent; Hosy, Eric; Platre, Matthieu Pierre; Gouguet, Paul; Raffaele, Sylvain; Martinez, Denis; Grelard, Axelle; Loquet, Antoine; Simon-Plas, Françoise; Gerbeau-Pissot, Patricia; Der, Christophe; Bayer, Emmanuelle M; Jaillais, Yvon; Deleu, Magali; Germain, Véronique; Lins, Laurence; Mongrand, Sébastien
2017-07-31
Plasma Membrane is the primary structure for adjusting to ever changing conditions. PM sub-compartmentalization in domains is thought to orchestrate signaling. Yet, mechanisms governing membrane organization are mostly uncharacterized. The plant-specific REMORINs are proteins regulating hormonal crosstalk and host invasion. REMs are the best-characterized nanodomain markers via an uncharacterized moiety called REMORIN C-terminal Anchor. By coupling biophysical methods, super-resolution microscopy and physiology, we decipher an original mechanism regulating the dynamic and organization of nanodomains. We showed that targeting of REMORIN is independent of the COP-II-dependent secretory pathway and mediated by PI4P and sterol. REM-CA is an unconventional lipid-binding motif that confers nanodomain organization. Analyses of REM-CA mutants by single particle tracking demonstrate that mobility and supramolecular organization are critical for immunity. This study provides a unique mechanistic insight into how the tight control of spatial segregation is critical in the definition of PM domain necessary to support biological function.
International Nuclear Information System (INIS)
Dalmasse, Kevin; Nychka, Douglas W.; Gibson, Sarah E.; Fan, Yuhong; Flyer, Natasha
2016-01-01
The Coronal Multichannel Polarimeter (CoMP) routinely performs coronal polarimetric measurements using the Fe XIII 10747 and 10798 lines, which are sensitive to the coronal magnetic field. However, inverting such polarimetric measurements into magnetic field data is a difficult task because the corona is optically thin at these wavelengths and the observed signal is therefore the integrated emission of all the plasma along the line of sight. To overcome this difficulty, we take on a new approach that combines a parameterized 3D magnetic field model with forward modeling of the polarization signal. For that purpose, we develop a new, fast and efficient, optimization method for model-data fitting: the Radial-basis-functions Optimization Approximation Method (ROAM). Model-data fitting is achieved by optimizing a user-specified log-likelihood function that quantifies the differences between the observed polarization signal and its synthetic/predicted analog. Speed and efficiency are obtained by combining sparse evaluation of the magnetic model with radial-basis-function (RBF) decomposition of the log-likelihood function. The RBF decomposition provides an analytical expression for the log-likelihood function that is used to inexpensively estimate the set of parameter values optimizing it. We test and validate ROAM on a synthetic test bed of a coronal magnetic flux rope and show that it performs well with a significantly sparse sample of the parameter space. We conclude that our optimization method is well-suited for fast and efficient model-data fitting and can be exploited for converting coronal polarimetric measurements, such as the ones provided by CoMP, into coronal magnetic field data.
The conceptual basis of mathematics in cardiology: (I) algebra, functions and graphs.
Bates, Jason H T; Sobel, Burton E
2003-02-01
This is the first in a series of four articles developed for the readers of. Without language ideas cannot be articulated. What may not be so immediately obvious is that they cannot be formulated either. One of the essential languages of cardiology is mathematics. Unfortunately, medical education does not emphasize, and in fact, often neglects empowering physicians to think mathematically. Reference to statistics, conditional probability, multicompartmental modeling, algebra, calculus and transforms is common but often without provision of genuine conceptual understanding. At the University of Vermont College of Medicine, Professor Bates developed a course designed to address these deficiencies. The course covered mathematical principles pertinent to clinical cardiovascular and pulmonary medicine and research. It focused on fundamental concepts to facilitate formulation and grasp of ideas. This series of four articles was developed to make the material available for a wider audience. The articles will be published sequentially in Coronary Artery Disease. Beginning with fundamental axioms and basic algebraic manipulations they address algebra, function and graph theory, real and complex numbers, calculus and differential equations, mathematical modeling, linear system theory and integral transforms and statistical theory. The principles and concepts they address provide the foundation needed for in-depth study of any of these topics. Perhaps of even more importance, they should empower cardiologists and cardiovascular researchers to utilize the language of mathematics in assessing the phenomena of immediate pertinence to diagnosis, pathophysiology and therapeutics. The presentations are interposed with queries (by Coronary Artery Disease, abbreviated as CAD) simulating the nature of interactions that occurred during the course itself. Each article concludes with one or more examples illustrating application of the concepts covered to cardiovascular medicine and
Sturmian functions in a L{sup 2} basis: Critical nuclear charge for N-electron atoms
Energy Technology Data Exchange (ETDEWEB)
Frapiccini, A.L. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)], E-mail: afrapic@uns.edu.ar; Gasaneo, G. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Colavecchia, F.D. [Centro Atomico Bariloche, San Carlos de Bariloche, Rio Negro (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Mitnik, D. [Instituto de Astronomia y Fisica del Espacio and, Departamento de Fisica, Universidad de Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)
2007-10-15
Two particle Sturmian functions [M. Rotenberg, Ann. Phys., NY 19 (1962) 262; S.V. Khristenko, Theor. Math. Fiz. 22 (1975) 31 (Engl. Transl. Theor. Math. Phys. 22, 21)] for a short range potentials are obtained by expanding the solution of the Schroedinger equation in a finite L{sup 2}Laguerre-type basis. These functions are chosen to satisfy certain boundary conditions, such as regularity at the origin and the correct asymptotic behavior according to the energy domain: exponential decay for negative energy and outgoing (incoming or standing wave) for positive energy. The set of eigenvalues obtained is discrete for both positive and negative energies. This Sturmian basis is used to solve the Schroedinger equation for a one-particle model potential [A.V. Sergeev, S. Kais, J. Quant. Chem. 75 (1999) 533] to describe the motion of a loosely bound electron in a multielectron atom. Values of the two parameters of the potential are computed to represent the Helium isoelectronic series and the critical nuclear charge Z{sub c} is found, in good agreement with previous calculations.
Drescher, A. C.; Gadgil, A. J.; Price, P. N.; Nazaroff, W. W.
Optical remote sensing and iterative computed tomography (CT) can be applied to measure the spatial distribution of gaseous pollutant concentrations. We conducted chamber experiments to test this combination of techniques using an open path Fourier transform infrared spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). Although ART converged to solutions that showed excellent agreement with the measured ray-integral concentrations, the solutions were inconsistent with simultaneously gathered point-sample concentration measurements. A new CT method was developed that combines (1) the superposition of bivariate Gaussians to represent the concentration distribution and (2) a simulated annealing minimization routine to find the parameters of the Gaussian basis functions that result in the best fit to the ray-integral concentration data. This method, named smooth basis function minimization (SBFM), generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present an analysis of two sets of experimental data that compares the performance of ART and SBFM. We conclude that SBFM is a superior CT reconstruction method for practical indoor and outdoor air monitoring applications.
International Nuclear Information System (INIS)
Vrankar, L.; Turk, G.; Runovc, F.; Kansa, E.J.
2006-01-01
Many heat-transfer problems involve a change of phase of material due to solidification or melting. Applications include: the safety studies of nuclear reactors (molten core concrete interaction), the drilling of high ice-content soil, the storage of thermal energy, etc. These problems are often called Stefan's or moving boundary value problems. Mathematically, the interface motion is expressed implicitly in an equation for the conservation of thermal energy at the interface (Stefan's conditions). This introduces a non-linear character to the system which treats each problem somewhat uniquely. The exact solution of phase change problems is limited exclusively to the cases in which e.g. the heat transfer regions are infinite or semi-infinite one dimensional-space. Therefore, solution is obtained either by approximate analytical solution or by numerical methods. Finite-difference methods and finite-element techniques have been used extensively for numerical solution of moving boundary problems. Recently, the numerical methods have focused on the idea of using a mesh-free methodology for the numerical solution of partial differential equations based on radial basis functions. In our case we will study solid-solid transformation. The numerical solutions will be compared with analytical solutions. Actually, in our work we will examine usefulness of radial basis functions (especially multiquadric-MQ) for one-dimensional Stefan's problems. The position of the moving boundary will be simulated by moving grid method. The resultant system of RBF-PDE will be solved by affine space decomposition. (author)
Directory of Open Access Journals (Sweden)
Azam Farmani
2014-07-01
Full Text Available Objectives: The aim of the present study is to examine the prediction of the reminiscence functions in older adults on the basis of the five personality factor model. Methods & Materials: 242 elderly adults older than 60 were recruited from retirement clubs of the city of Shiraz via available sampling method. The participants completed the Reminiscence Functions Scale and Goldberg's International Personality Item Pool. Forty participants were deleted from the sample because they did not complete the questionnaires fully. All the participants took part in the study with their conscious consent. To conduct the necessary descriptive and inferential statistical operations, SPSS (Version 16 was used. Mean, standard deviation and Pearson correlation coefficient were utilized to analyze the data in the descriptive statistics section, And in inferential statistics section, simultaneous multiple regression was used to predict reminiscence functions. Results: According to the results of the multiple regression analysis, Neuroticism predicted the reminiscence functions of Bitterness Revival (β=0.28, P≤0.001 and Intimacy Maintenance (β=0.25, P≤0.001 and Extraversion predicted the reminiscence functions of Teach/Inform (β=0.18, P<0.05. Conclusion: The results indicated that people with higher levels of psychological distress tend to rehash and ruminate on bitter memories and hold onto memories of intimate social relations who are no longer part of their lives. Moreover, extravert people tend to share memories to transmit a lesson of life and share personal ideologies and experiences. Clinicians should focus on more adaptive functions of reminiscence (e.g., identity, problem solving and teach/inform and teach such functions.
Full-Wave Analysis of Microstrip Antennas in Three-Layered Spherical Media
Directory of Open Access Journals (Sweden)
Tao Yu
2013-01-01
Full Text Available A model of three-layered spherical microstrip antenna has been analyzed based on Rao-Wilton-Glisson (RWG triangular basis functions using mixed potential integral equation (MPIE. Firstly, the model of antenna and the dyadic Green’s function in spherical microstrip antennas are given at the beginning of this paper. Then, due to the infinite series convergence problem, asymptotic extraction approach is presented to accelerate the Green’s functions convergence speed when source and field points are located in the same layer and different layers. The convergence speed can be accelerated observably by using this method. Finally, in order to simplify impedance matrix elements calculation at the junction of the probe and patch, a novel division fashion of pair of triangles is adopted in this paper. The input impedance result obtained shows the validity and effectiveness of the analysis method comparing with published data.
Spherical rhenium metal powder
International Nuclear Information System (INIS)
Leonhardt, T.; Moore, N.; Hamister, M.
2001-01-01
The development of a high-density, spherical rhenium powder (SReP) possessing excellent flow characteristics has enabled the use of advanced processing techniques for the manufacture of rhenium components. The techniques that were investigated were vacuum plasma spraying (VPS), direct-hot isostatic pressing (D-HIP), and various other traditional powder metallurgy processing methods of forming rhenium powder into near-net shaped components. The principal disadvantages of standard rhenium metal powder (RMP) for advanced consolidation applications include: poor flow characteristics; high oxygen content; and low and varying packing densities. SReP will lower costs, reduce processing times, and improve yields when manufacturing powder metallurgy rhenium components. The results of the powder characterization of spherical rhenium powder and the consolidation of the SReP are further discussed. (author)
International Nuclear Information System (INIS)
Berg, S.; Semmes, P.B.; Nazarewicz, W.
1997-01-01
Various theoretical approaches to proton emission from spherical nuclei are investigated, and it is found that all the methods employed give very similar results. The calculated decay widths are found to be qualitatively insensitive to the parameters of the proton-nucleus potential, i.e., changing the potential parameters over a fairly large range typically changes the decay width by no more than a factor of ∼3. Proton half-lives of observed heavy proton emitters are, in general, well reproduced by spherical calculations with the spectroscopic factors calculated in the independent quasiparticle approximation. The quantitative agreement with experimental data obtained in our study requires that the parameters of the proton-nucleus potential be chosen carefully. It also suggests that deformed proton emitters will provide invaluable spectroscopic information on the angular momentum decomposition of single-proton orbitals in deformed nuclei. copyright 1997 The American Physical Society
Intrinsic cylindrical and spherical waves
International Nuclear Information System (INIS)
Ludlow, I K
2008-01-01
Intrinsic waveforms associated with cylindrical and spherical Bessel functions are obtained by eliminating the factors responsible for the inverse radius and inverse square radius laws of wave power per unit area of wavefront. The resulting expressions are Riccati-Bessel functions for both cases and these can be written in terms of amplitude and phase functions of order v and wave variable z. When z is real, it is shown that a spatial phase angle of the intrinsic wave can be defined and this, together with its amplitude function, is systematically investigated for a range of fixed orders and varying z. The derivatives of Riccati-Bessel functions are also examined. All the component functions exhibit different behaviour in the near field depending on the order being less than, equal to or greater than 1/2. Plots of the phase angle can be used to display the locations of the zeros of the general Riccati-Bessel functions and lead to new relations concerning the ordering of the real zeros of Bessel functions and the occurrence of multiple zeros when the argument of the Bessel function is fixed
Chen, Qian; Liu, Guohai; Xu, Dezhi; Xu, Liang; Xu, Gaohong; Aamir, Nazir
2018-05-01
This paper proposes a new decoupled control for a five-phase in-wheel fault-tolerant permanent magnet (IW-FTPM) motor drive, in which radial basis function neural network inverse (RBF-NNI) and internal model control (IMC) are combined. The RBF-NNI system is introduced into original system to construct a pseudo-linear system, and IMC is used as a robust controller. Hence, the newly proposed control system incorporates the merits of the IMC and RBF-NNI methods. In order to verify the proposed strategy, an IW-FTPM motor drive is designed based on dSPACE real-time control platform. Then, the experimental results are offered to verify that the d-axis current and the rotor speed are successfully decoupled. Besides, the proposed motor drive exhibits strong robustness even under load torque disturbance.
Energy Technology Data Exchange (ETDEWEB)
Martin, Bradley, E-mail: brma7253@colorado.edu; Fornberg, Bengt, E-mail: Fornberg@colorado.edu
2017-04-15
In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy for the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.
Directory of Open Access Journals (Sweden)
Feilu Wang
2014-04-01
Full Text Available Research on tactile sensors to enhance their flexibility and ability of multi- dimensional information detection is a key issue to develop humanoid robots. In view of that the tactile sensor is often affected by noise, this paper adds different white Gaussian noises (WGN into the ideal model of flexible tactile sensors based on conductive rubber purposely, then improves the standard radial basis function neural network (RNFNN to deal with the noises. The modified RBFNN is applied to approximate and decouple the mapping relationship between row-column resistance with WGNs and three-dimensional deformation. Numerical experiments demonstrate that the decoupling result of the deformation for the sensor is quite good. The results show that the improved RBFNN which doesn’t rely on the mathematical model of the system has good anti-noise ability and robustness.
Piret, Cécile
2012-05-01
Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in . R3 using the RBF method. We present three RBF-based methods that easily discretize surface differential operators. We take advantage of the meshfree character of RBFs, which give us a high accuracy and the flexibility to represent the most complex geometries in any dimension. Two out of the three methods, which we call the orthogonal gradients (OGr) methods are the result of our work and are hereby presented for the first time. © 2012 Elsevier Inc.
Zhou, Jingwen; Xu, Zhenghong; Chen, Shouwen
2013-04-01
The thuringiensin abiotic degradation processes in aqueous solution under different conditions, with a pH range of 5.0-9.0 and a temperature range of 10-40°C, were systematically investigated by an exponential decay model and a radius basis function (RBF) neural network model, respectively. The half-lives of thuringiensin calculated by the exponential decay model ranged from 2.72 d to 16.19 d under the different conditions mentioned above. Furthermore, an RBF model with accuracy of 0.1 and SPREAD value 5 was employed to model the degradation processes. The results showed that the model could simulate and predict the degradation processes well. Both the half-lives and the prediction data showed that thuringiensin was an easily degradable antibiotic, which could be an important factor in the evaluation of its safety. Copyright © 2012 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Permoon, M. R.; Haddadpour, H. [Sharif University of Tech, Tehran (Iran, Islamic Republic of); Rashidinia, J.; Parsa, A.; Salehi, R. [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of)
2016-07-15
In this paper, the forced vibrations of the fractional viscoelastic beam with the Kelvin-Voigt fractional order constitutive relationship is studied. The equation of motion is derived from Newton's second law and the Galerkin method is used to discretize the equation of motion in to a set of linear ordinary differential equations. For solving the discretized equations, the radial basis functions and Sinc quadrature rule are used. In order to show the effectiveness and accuracy of this method, some test problem are considered, and it is shown that the obtained results are in very good agreement with exact solution. In the following, the proposed numerical solution is applied to exploring the effects of fractional parameters on the response of the beam and finally some conclusions are outlined.
Lima, C S; Barbosa, D; Ramos, J; Tavares, A; Monteiro, L; Carvalho, L
2008-01-01
This paper presents a system to support medical diagnosis and detection of abnormal lesions by processing capsule endoscopic images. Endoscopic images possess rich information expressed by texture. Texture information can be efficiently extracted from medium scales of the wavelet transform. The set of features proposed in this paper to code textural information is named color wavelet covariance (CWC). CWC coefficients are based on the covariances of second order textural measures, an optimum subset of them is proposed. Third and forth order moments are added to cope with distributions that tend to become non-Gaussian, especially in some pathological cases. The proposed approach is supported by a classifier based on radial basis functions procedure for the characterization of the image regions along the video frames. The whole methodology has been applied on real data containing 6 full endoscopic exams and reached 95% specificity and 93% sensitivity.
DEFF Research Database (Denmark)
Lee, Kyo-Beum; Blaabjerg, Frede
2005-01-01
A new scheme to estimate the moment of inertia in the servo motor drive system in very low speed is proposed in this paper. The speed estimation scheme in most servo drive systems for low speed operation is sensitive to the variation of machine parameter, especially the moment of inertia....... To estimate the motor inertia value, the observer using the Radial Basis Function Network (RBFN) is applied. A control law for stabilizing the system and adaptive laws for updating both of the weights in the RBFN and a bounding constant are established so that the whole closed-loop system is stable...... in the sense of Lyapunov. The effectiveness of the proposed inertia estimation is verified by simulations and experiments. It is concluded that the speed control performance in low speed region is improved with the proposed disturbance observer using RBFN....
Vavalle, Nicholas A; Schoell, Samantha L; Weaver, Ashley A; Stitzel, Joel D; Gayzik, F Scott
2014-11-01
Human body finite element models (FEMs) are a valuable tool in the study of injury biomechanics. However, the traditional model development process can be time-consuming. Scaling and morphing an existing FEM is an attractive alternative for generating morphologically distinct models for further study. The objective of this work is to use a radial basis function to morph the Global Human Body Models Consortium (GHBMC) average male model (M50) to the body habitus of a 95th percentile male (M95) and to perform validation tests on the resulting model. The GHBMC M50 model (v. 4.3) was created using anthropometric and imaging data from a living subject representing a 50th percentile male. A similar dataset was collected from a 95th percentile male (22,067 total images) and was used in the morphing process. Homologous landmarks on the reference (M50) and target (M95) geometries, with the existing FE node locations (M50 model), were inputs to the morphing algorithm. The radial basis function was applied to morph the FE model. The model represented a mass of 103.3 kg and contained 2.2 million elements with 1.3 million nodes. Simulations of the M95 in seven loading scenarios were presented ranging from a chest pendulum impact to a lateral sled test. The morphed model matched anthropometric data to within a rootmean square difference of 4.4% while maintaining element quality commensurate to the M50 model and matching other anatomical ranges and targets. The simulation validation data matched experimental data well in most cases.
Directory of Open Access Journals (Sweden)
Ángel Gutiérrez
2015-04-01
Full Text Available The data available in the average clinical study of a disease is very often small. This is one of the main obstacles in the application of neural networks to the classification of biological signals used for diagnosing diseases. A rule of thumb states that the number of parameters (weights that can be used for training a neural network should be around 15% of the available data, to avoid overlearning. This condition puts a limit on the dimension of the input space. Different authors have used different approaches to solve this problem, like eliminating redundancy in the data, preprocessing the data to find centers for the radial basis functions, or extracting a small number of features that were used as inputs. It is clear that the classification would be better the more features we could feed into the network. The approach utilized in this paper is incrementing the number of training elements with randomly expanding training sets. This way the number of original signals does not constraint the dimension of the input set in the radial basis network. Then we train the network using the method that minimizes the error function using the gradient descent algorithm and the method that uses the particle swarm optimization technique. A comparison between the two methods showed that for the same number of iterations on both methods, the particle swarm optimization was faster, it was learning to recognize only the sick people. On the other hand, the gradient method was not as good in general better at identifying those people.
On the phase diagram of non-spherical nanoparticles
Wautelet, M; Hecq, M
2003-01-01
The phase diagram of nanoparticles is known to be a function of their size. In the literature, this is generally demonstrated for cases where their shape is spherical. Here, it is shown theoretically that the phase diagram of non-spherical particles may be calculated from the spherical case, at the same surface area/volume ratio, both with and without surface segregation, provided the surface tension is considered to be isotropic.
Fast and accurate computation of projected two-point functions
Grasshorn Gebhardt, Henry S.; Jeong, Donghui
2018-01-01
We present the two-point function from the fast and accurate spherical Bessel transformation (2-FAST) algorithm1Our code is available at https://github.com/hsgg/twoFAST. for a fast and accurate computation of integrals involving one or two spherical Bessel functions. These types of integrals occur when projecting the galaxy power spectrum P (k ) onto the configuration space, ξℓν(r ), or spherical harmonic space, Cℓ(χ ,χ'). First, we employ the FFTLog transformation of the power spectrum to divide the calculation into P (k )-dependent coefficients and P (k )-independent integrations of basis functions multiplied by spherical Bessel functions. We find analytical expressions for the latter integrals in terms of special functions, for which recursion provides a fast and accurate evaluation. The algorithm, therefore, circumvents direct integration of highly oscillating spherical Bessel functions.
Interactions between charged spherical macroions
International Nuclear Information System (INIS)
Stevens, M.J.; Falk, M.L.; Robbins, M.O.
1996-01-01
Monte Carlo (MC) simulations were used to study the screened interactions between charged spherical macroions surrounded by discrete counterions, and to test previous theories of screening. The simulations were performed in the primitive cell of the bcc lattice, and in the spherical Wigner endash Seitz cell that is commonly used in approximate calculations. We found that the Wigner endash Seitz approximation is valid even at high volume fractions φ and large macroion charges Z, because the macroion charge becomes strongly screened. Pressures calculated from Poisson endash Boltzmann theory and local density functional theory deviate from MC values as φ and Z increase, but continue to provide upper and lower bounds for the MC results. While Debye endash Hueckel (DH) theory fails badly when the bare charge is used, MC pressures can be fit with an effective DH charge, Z DH , that is nearly independent of volume fraction. As Z diverges, Z DH saturates at zψ max R m /λ, where z is the counterion charge, R m is the macroion radius, λ is the Bjerrum length, and ψ max is a constant of order 10. copyright 1996 American Institute of Physics
Meng, Qinggang; Lee, M. H.
2007-03-01
Advanced autonomous artificial systems will need incremental learning and adaptive abilities similar to those seen in humans. Knowledge from biology, psychology and neuroscience is now inspiring new approaches for systems that have sensory-motor capabilities and operate in complex environments. Eye/hand coordination is an important cross-modal cognitive function, and is also typical of many of the other coordinations that must be involved in the control and operation of embodied intelligent systems. This paper examines a biologically inspired approach for incrementally constructing compact mapping networks for eye/hand coordination. We present a simplified node-decoupled extended Kalman filter for radial basis function networks, and compare this with other learning algorithms. An experimental system consisting of a robot arm and a pan-and-tilt head with a colour camera is used to produce results and test the algorithms in this paper. We also present three approaches for adapting to structural changes during eye/hand coordination tasks, and the robustness of the algorithms under noise are investigated. The learning and adaptation approaches in this paper have similarities with current ideas about neural growth in the brains of humans and animals during tool-use, and infants during early cognitive development.
Ortigue, S; Bianchi-Demicheli, F; Hamilton, A F de C; Grafton, S T
2007-07-01
Throughout the ages, love has been defined as a motivated and goal-directed mechanism with explicit and implicit mechanisms. Recent evidence demonstrated that the explicit representation of love recruits subcorticocortical pathways mediating reward, emotion, and motivation systems. However, the neural basis of the implicit (unconscious) representation of love remains unknown. To assess this question, we combined event-related functional magnetic resonance imaging (fMRI) with a behavioral subliminal priming paradigm embedded in a lexical decision task. In this task, the name of either a beloved partner, a neutral friend, or a passionate hobby was subliminally presented before a target stimulus (word, nonword, or blank), and participants were required to decide if the target was a word or not. Behavioral results showed that subliminal presentation of either a beloved's name (love prime) or a passion descriptor (passion prime) enhanced reaction times in a similar fashion. Subliminal presentation of a friend's name (friend prime) did not show any beneficial effects. Functional results showed that subliminal priming with a beloved's name (as opposed to either a friend's name or a passion descriptor) specifically recruited brain areas involved in abstract representations of others and the self, in addition to motivation circuits shared with other sources of passion. More precisely, love primes recruited the fusiform and angular gyri. Our findings suggest that love, as a subliminal prime, involves a specific neural network that surpasses a dopaminergic-motivation system.
Regis, Rommel G.
2014-02-01
This article develops two new algorithms for constrained expensive black-box optimization that use radial basis function surrogates for the objective and constraint functions. These algorithms are called COBRA and Extended ConstrLMSRBF and, unlike previous surrogate-based approaches, they can be used for high-dimensional problems where all initial points are infeasible. They both follow a two-phase approach where the first phase finds a feasible point while the second phase improves this feasible point. COBRA and Extended ConstrLMSRBF are compared with alternative methods on 20 test problems and on the MOPTA08 benchmark automotive problem (D.R. Jones, Presented at MOPTA 2008), which has 124 decision variables and 68 black-box inequality constraints. The alternatives include a sequential penalty derivative-free algorithm, a direct search method with kriging surrogates, and two multistart methods. Numerical results show that COBRA algorithms are competitive with Extended ConstrLMSRBF and they generally outperform the alternatives on the MOPTA08 problem and most of the test problems.
Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli
2013-03-01
Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.
International Nuclear Information System (INIS)
Lee, Jae Sung; Nam, Hyun Woo; Lee, Dong Soo; Lee, Sang Kun; Jang, Myoung Jin; Ahn, Ji Young; Park, Kwang Suk; Chung, June Key; Lee, Myung Chul
2000-01-01
Episodic memory is described as an 'autobiographical' memory responsible for storing a record of the events in our lives. We performed functional brain activation study using H 2 1 5O PET to reveal the neural basis of the encoding and the retrieval of episodic memory in human normal volunteers. Four repeated H 2 1 5O PET scans with two reference and two activation tasks were performed on 6 normal volunteers to activate brain areas engaged in encoding and retrieval with verbal materials. Images from the same subject were spatially registered and normalized using linear and nonlinear transformation. Using the means and variances for every condition which were adjusted with analysis of covariance, t-statistic analysis were performed voxel-wise. Encoding of episodic memory activated the opercular and triangular parts of left inferior frontal gyrus, right prefrontal cortex, medial frontal area, cingulate gyrus, posterior middle and inferior temporal gyri, and cerebellum, and both primary visual and visual association areas. Retrieval of episodic memory activated the triangular part of left inferior frontal gyrus and inferior temporal gyrus, right prefrontal cortex and medial temporal ares, and both cerebellum and primary visual and visual association areas. The activations in the opercular part of left inferior frontal gyrus and the right prefrontal cortex meant the essential role of these areas in the encoding and retrieval of episodic memeory. We could localize the neural basis of the encoding and retrieval of episodic memory using H 2 1 5O PET, which was partly consistent with the hypothesis of hemispheric encoding/retrieval asymmetry.=20
Sphericity in the interacting boson model
International Nuclear Information System (INIS)
Ogata, H.
1977-01-01
The interacting boson model (IBM) of Arima and Iachello is examined. The transition between the rotational and vibrational modes of even-even nuclei is presented as a function of a sphericity parameter, which is determined primarily from yrast band spectra. The backbending feature is reasonably reproduced. (author)
ODF Maxima Extraction in Spherical Harmonic Representation via Analytical Search Space Reduction
Aganj, Iman; Lenglet, Christophe; Sapiro, Guillermo
2015-01-01
By revealing complex fiber structure through the orientation distribution function (ODF), q-ball imaging has recently become a popular reconstruction technique in diffusion-weighted MRI. In this paper, we propose an analytical dimension reduction approach to ODF maxima extraction. We show that by expressing the ODF, or any antipodally symmetric spherical function, in the common fourth order real and symmetric spherical harmonic basis, the maxima of the two-dimensional ODF lie on an analytically derived one-dimensional space, from which we can detect the ODF maxima. This method reduces the computational complexity of the maxima detection, without compromising the accuracy. We demonstrate the performance of our technique on both artificial and human brain data. PMID:20879302
Energy Technology Data Exchange (ETDEWEB)
Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2016-05-21
With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.
Holographic Spherically Symmetric Metrics
Petri, Michael
The holographic principle (HP) conjectures, that the maximum number of degrees of freedom of any realistic physical system is proportional to the system's boundary area. The HP has its roots in the study of black holes. It has recently been applied to cosmological solutions. In this article we apply the HP to spherically symmetric static space-times. We find that any regular spherically symmetric object saturating the HP is subject to tight constraints on the (interior) metric, energy-density, temperature and entropy-density. Whenever gravity can be described by a metric theory, gravity is macroscopically scale invariant and the laws of thermodynamics hold locally and globally, the (interior) metric of a regular holographic object is uniquely determined up to a constant factor and the interior matter-state must follow well defined scaling relations. When the metric theory of gravity is general relativity, the interior matter has an overall string equation of state (EOS) and a unique total energy-density. Thus the holographic metric derived in this article can serve as simple interior 4D realization of Mathur's string fuzzball proposal. Some properties of the holographic metric and its possible experimental verification are discussed. The geodesics of the holographic metric describe an isotropically expanding (or contracting) universe with a nearly homogeneous matter-distribution within the local Hubble volume. Due to the overall string EOS the active gravitational mass-density is zero, resulting in a coasting expansion with Ht = 1, which is compatible with the recent GRB-data.
International Nuclear Information System (INIS)
Sahni, D.C.; Sharma, A.
2000-01-01
The integral form of one-speed, spherically symmetric neutron transport equation with isotropic scattering is considered. Two standard problems are solved using normal mode expansion technique. The expansion coefficients are obtained by solving their singular integral equations. It is shown that these expansion coefficients provide a representation of all spherical harmonics moments of the angular flux as a superposition of Bessel functions. It is seen that large errors occur in the computation of higher moments unless we take certain precautions. The reasons for this phenomenon are explained. They throw some light on the failure of spherical harmonics method in treating spherical geometry problems as observed by Aronsson
Invariants of the spherical sector in conformal mechanics
International Nuclear Information System (INIS)
Hakobyan, Tigran; Nersessian, Armen; Saghatelian, Armen; Lechtenfeld, Olaf
2011-01-01
A direct relation is established between the constants of motion for conformal mechanics and those for its spherical part. In this way, we find the complete set of functionally independent constants of motion for the so-called cuboctahedric Higgs oscillator, which is just the spherical part of the rational A 3 Calogero model (describing four Calogero particles after decoupling their center of mass).
Lu, Jia-hui; Zhang, Yi-bo; Zhang, Zhuo-yong; Meng, Qing-fan; Guo, Wei-liang; Teng, Li-rong
2008-06-01
A calibration model (WT-RBFNN) combination of wavelet transform (WT) and radial basis function neural network (RBFNN) was proposed for synchronous and rapid determination of rifampicin and isoniazide in Rifampicin and Isoniazide tablets by near infrared reflectance spectroscopy (NIRS). The approximation coefficients were used for input data in RBFNN. The network parameters including the number of hidden layer neurons and spread constant (SC) were investigated. WT-RBFNN model which compressed the original spectra data, removed the noise and the interference of background, and reduced the randomness, the capabilities of prediction were well optimized. The root mean square errors of prediction (RMSEP) for the determination of rifampicin and isoniazide obtained from the optimum WT-RBFNN model are 0.00639 and 0.00587, and the root mean square errors of cross-calibration (RMSECV) for them are 0.00604 and 0.00457, respectively which are superior to those obtained by the optimum RBFNN and PLS models. Regression coefficient (R) between NIRS predicted values and RP-HPLC values for rifampicin and isoniazide are 0.99522 and 0.99392, respectively and the relative error is lower than 2.300%. It was verified that WT-RBFNN model is a suitable approach to dealing with NIRS. The proposed WT-RBFNN model is convenient, and rapid and with no pollution for the determination of rifampicin and isoniazide tablets.
Directory of Open Access Journals (Sweden)
Ali Mansourkhaki
2018-01-01
Full Text Available Noise pollution is a level of environmental noise which is considered as a disturbing and annoying phenomenon for human and wildlife. It is one of the environmental problems which has not been considered as harmful as the air and water pollution. Compared with other pollutants, the attempts to control noise pollution have largely been unsuccessful due to the inadequate knowledge of its effectson humans, as well as the lack of clear standards in previous years. However, with an increase of traveling vehicles, the adverse impact of increasing noise pollution on human health is progressively emerging. Hence, investigators all around the world are seeking to findnew approaches for predicting, estimating and controlling this problem and various models have been proposed. Recently, developing learning algorithms such as neural network has led to novel solutions for this challenge. These algorithms provide intelligent performance based on the situations and input data, enabling to obtain the best result for predicting noise level. In this study, two types of neural networks – multilayer perceptron and radial basis function – were developed for predicting equivalent continuous sound level (LA eq by measuring the traffivolume, average speed and percentage of heavy vehicles in some roads in west and northwest of Tehran. Then, their prediction results were compared based on the coefficienof determination (R 2 and the Mean Squared Error (MSE. Although both networks are of high accuracy in prediction of noise level, multilayer perceptron neural network based on selected criteria had a better performance.
International Nuclear Information System (INIS)
Vaziri, Nima; Hojabri, Alireza; Erfani, Ali; Monsefi, Mehrdad; Nilforooshan, Behnam
2007-01-01
Critical heat flux (CHF) is an important parameter for the design of nuclear reactors. Although many experimental and theoretical researches have been performed, there is not a single correlation to predict CHF because it is influenced by many parameters. These parameters are based on fixed inlet, local and fixed outlet conditions. Artificial neural networks (ANNs) have been applied to a wide variety of different areas such as prediction, approximation, modeling and classification. In this study, two types of neural networks, radial basis function (RBF) and multilayer perceptron (MLP), are trained with the experimental CHF data and their performances are compared. RBF predicts CHF with root mean square (RMS) errors of 0.24%, 7.9%, 0.16% and MLP predicts CHF with RMS errors of 1.29%, 8.31% and 2.71%, in fixed inlet conditions, local conditions and fixed outlet conditions, respectively. The results show that neural networks with RBF structure have superior performance in CHF data prediction over MLP neural networks. The parametric trends of CHF obtained by the trained ANNs are also evaluated and results reported
International Nuclear Information System (INIS)
Roshani, G.H.; Nazemi, E.; Roshani, M.M.
2017-01-01
In this paper, a novel method is proposed for predicting the density of liquid phase in stratified regime of liquid-gas two phase flows by utilizing dual modality densitometry technique and artificial neural network (ANN) model of radial basis function (RBF). The detection system includes a 137 Cs radioactive source and two NaI(Tl) detectors for registering transmitted and scattered photons. At the first step, a Monte Carlo simulation model was utilized to obtain the optimum position for the scattering detector in dual modality densitometry configuration. At the next step, an experimental setup was designed based on obtained optimum position for detectors from simulation in order to generate the required data for training and testing the ANN. The results show that the proposed approach could be successfully applied for predicting the density of liquid phase in stratified regime of gas-liquid two phase flows with mean relative error (MRE) of less than 0.701. - Highlights: • Density of liquid phase in stratified regime of two phase flows was predicted. • Combination of dual modality densitometry technique and ANN was utilized. • Detection system includes a 137 Cs radioactive source and two NaI(Tl) detectors. • MCNP simulation was done to obtain the optimum position for the scattering detector. • An experimental setup was designed to generate the required data for training the ANN.
Directory of Open Access Journals (Sweden)
HU Qi-guo
2017-01-01
Full Text Available For reducing the vehicle compartment low frequency noise, the Optimal Latin hypercube sampling method was applied to perform experimental design for sampling in the factorial design space. The thickness parameters of the panels with larger acoustic contribution was considered as factors, as well as the vehicle mass, seventh rank modal frequency of body, peak sound pressure of test point and sound pressure root-mean-square value as responses. By using the RBF(radial basis function neuro-network method, an approximation model of four responses about six factors was established. Further more, error analysis of established approximation model was performed in this paper. To optimize the panel’s thickness parameter, the adaptive simulated annealing algorithm was im-plemented. Optimization results show that the peak sound pressure of driver’s head was reduced by 4.45dB and 5.47dB at frequency 158HZ and 134Hz respec-tively. The test point pressure were significantly reduced at other frequency as well. The results indicate that through the optimization the vehicle interior cavity noise was reduced effectively, and the acoustical comfort of the vehicle was im-proved significantly.
Directory of Open Access Journals (Sweden)
Seng-Chi Chen
2014-01-01
Full Text Available Studies on active magnetic bearing (AMB systems are increasing in popularity and practical applications. Magnetic bearings cause less noise, friction, and vibration than the conventional mechanical bearings; however, the control of AMB systems requires further investigation. The magnetic force has a highly nonlinear relation to the control current and the air gap. This paper proposes an intelligent control method for positioning an AMB system that uses a neural fuzzy controller (NFC. The mathematical model of an AMB system comprises identification followed by collection of information from this system. A fuzzy logic controller (FLC, the parameters of which are adjusted using a radial basis function neural network (RBFNN, is applied to the unbalanced vibration in an AMB system. The AMB system exhibited a satisfactory control performance, with low overshoot, and produced improved transient and steady-state responses under various operating conditions. The NFC has been verified on a prototype AMB system. The proposed controller can be feasibly applied to AMB systems exposed to various external disturbances; demonstrating the effectiveness of the NFC with self-learning and self-improving capacities is proven.
Anitha, J.; Vijila, C. Kezi Selva; Hemanth, D. Jude
2010-02-01
Diabetic retinopathy (DR) is a chronic eye disease for which early detection is highly essential to avoid any fatal results. Image processing of retinal images emerge as a feasible tool for this early diagnosis. Digital image processing techniques involve image classification which is a significant technique to detect the abnormality in the eye. Various automated classification systems have been developed in the recent years but most of them lack high classification accuracy. Artificial neural networks are the widely preferred artificial intelligence technique since it yields superior results in terms of classification accuracy. In this work, Radial Basis function (RBF) neural network based bi-level classification system is proposed to differentiate abnormal DR Images and normal retinal images. The results are analyzed in terms of classification accuracy, sensitivity and specificity. A comparative analysis is performed with the results of the probabilistic classifier namely Bayesian classifier to show the superior nature of neural classifier. Experimental results show promising results for the neural classifier in terms of the performance measures.
Directory of Open Access Journals (Sweden)
Jingwen Tian
2013-02-01
Full Text Available Since the control system of the welding gun pose in whole-position welding is complicated and nonlinear, an intelligent control system of welding gun pose for a pipeline welding robot based on an improved radial basis function neural network (IRBFNN and expert system (ES is presented in this paper. The structure of the IRBFNN is constructed and the improved genetic algorithm is adopted to optimize the network structure. This control system makes full use of the characteristics of the IRBFNN and the ES. The ADXRS300 micro-mechanical gyro is used as the welding gun position sensor in this system. When the welding gun position is obtained, an appropriate pitch angle can be obtained through expert knowledge and the numeric reasoning capacity of the IRBFNN. ARM is used as the controller to drive the welding gun pitch angle step motor in order to adjust the pitch angle of the welding gun in real-time. The experiment results show that the intelligent control system of the welding gun pose using the IRBFNN and expert system is feasible and it enhances the welding quality. This system has wide prospects for application.
Energy Technology Data Exchange (ETDEWEB)
Chauvin, C
2005-11-15
This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)
Liu, Yin; Belkina, Natalya V; Graham, Caroline; Shaw, Stephen
2006-04-28
Activation loop phosphorylation plays critical regulatory roles for many kinases. Unlike other protein kinase Cs (PKC), PKC-delta does not require phosphorylation of its activation loop (Thr-507) for in vitro activity. We investigated the structural basis for this unusual capacity and its relevance to PKC-delta function in intact cells. Mutational analysis demonstrated that activity without Thr-507 phosphorylation depends on 20 residues N-terminal to the kinase domain and a pair of phenylalanines (Phe-500/Phe-527) unique to PKC-delta in/near the activation loop. Molecular modeling demonstrated that these elements stabilize the activation loop by forming a hydrophobic chain of interactions from the C-lobe to activation loop to N-terminal (helical) extension. In cells PKC-delta mediates both apoptosis and transcription regulation. We found that the T507A mutant of the PKC-delta kinase domain resembled the corresponding wild type in mediating apoptosis in transfected HEK293T cells. But the T507A mutant was completely defective in AP-1 and NF-kappaB reporter assays. A novel assay in which the kinase domain of PKC-delta and its substrate (a fusion protein of PKC substrate peptide with green fluorescent protein) were co-targeted to lipid rafts revealed a major substrate-selective defect of the T507A mutant in phosphorylating the substrate in cells. In vitro analysis showed strong product inhibition on the T507A mutant with particular substrates whose characteristics suggest it contributes to the substrate selective defect of the PKC-delta T507A mutant in cells. Thus, activation loop phosphorylation of PKC-delta may regulate its function in cells in a novel way.
Nekrasov and Argyres-Douglas theories in spherical Hecke algebra representation
Rim, Chaiho; Zhang, Hong
2017-06-01
AGT conjecture connects Nekrasov instanton partition function of 4D quiver gauge theory with 2D Liouville conformal blocks. We re-investigate this connection using the central extension of spherical Hecke algebra in q-coordinate representation, q being the instanton expansion parameter. Based on AFLT basis together with intertwiners we construct gauge conformal state and demonstrate its equivalence to the Liouville conformal state, with careful attention to the proper scaling behavior of the state. Using the colliding limit of regular states, we obtain the formal expression of irregular conformal states corresponding to Argyres-Douglas theory, which involves summation of functions over Young diagrams.
Nekrasov and Argyres–Douglas theories in spherical Hecke algebra representation
Energy Technology Data Exchange (ETDEWEB)
Rim, Chaiho, E-mail: rimpine@sogang.ac.kr; Zhang, Hong, E-mail: kilar@itp.ac.cn
2017-06-15
AGT conjecture connects Nekrasov instanton partition function of 4D quiver gauge theory with 2D Liouville conformal blocks. We re-investigate this connection using the central extension of spherical Hecke algebra in q-coordinate representation, q being the instanton expansion parameter. Based on AFLT basis together with intertwiners we construct gauge conformal state and demonstrate its equivalence to the Liouville conformal state, with careful attention to the proper scaling behavior of the state. Using the colliding limit of regular states, we obtain the formal expression of irregular conformal states corresponding to Argyres–Douglas theory, which involves summation of functions over Young diagrams.
Evolution of the spherical clusters
International Nuclear Information System (INIS)
Surdin, V.G.
1978-01-01
The possible processes of the Galaxy spherical clusters formation and evolution are described on a popular level. The orbits of spherical cluster motion and their spatial velocities are determined. Given are the distrbutions of spherical cluster stars according to their velocities and the observed distribution of spherical clusters in the area of the Galaxy slow evolution. The dissipation and dynamic friction processes destructing clusters with the mass less than 10 4 of solar mass and bringing about the reduction of clusters in the Galaxy are considered. The paradox of forming mainly X-ray sources in spherical clusters is explained. The schematic image of possible ways of forming X-ray sources in spherical clusters is given
Spherical tokamak development in Brazil
Energy Technology Data Exchange (ETDEWEB)
Ludwig, Gerson Otto; Bosco, Edson Del; Ferreira, Julio Guimaraes [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Plasma] (and others)
2003-07-01
The general characteristics of spherical tokamaks, or spherical tori, with a brief view of work in this area already performed or in progress at several institutions worldwide are described. The paper presents also the steps in the development of the ETE (Experiment Tokamak spheric) project, its research program, technical characteristics and operating conditions as of December, 2002 a the Associated Plasma Laboratory (LAP) of the National Space Research Institute (INPE) in Brazil. (author)
Spherical tokamak development in Brazil
International Nuclear Information System (INIS)
Ludwig, Gerson Otto; Bosco, Edson Del; Ferreira, Julio Guimaraes
2003-01-01
The general characteristics of spherical tokamaks, or spherical tori, with a brief view of work in this area already performed or in progress at several institutions worldwide are described. The paper presents also the steps in the development of the ETE (Experiment Tokamak spheric) project, its research program, technical characteristics and operating conditions as of December, 2002 a the Associated Plasma Laboratory (LAP) of the National Space Research Institute (INPE) in Brazil. (author)
Directory of Open Access Journals (Sweden)
T Nikbakht
2012-12-01
Full Text Available Effects of quantum size and potential shape on the spectra of an electron and a hydrogenic-donor at the center of a permeable spherical cavity have been calculated, using linear variational method. B-splines have been used as basis functions. By extensive convergence tests and comparing with other results given in the literature, the validity and efficiency of the method were confirmed.
Spherical grating spectrometers
O'Donoghue, Darragh; Clemens, J. Christopher
2014-07-01
We describe designs for spectrometers employing convex dispersers. The Offner spectrometer was the first such instrument; it has almost exclusively been employed on satellite platforms, and has had little impact on ground-based instruments. We have learned how to fabricate curved Volume Phase Holographic (VPH) gratings and, in contrast to the planar gratings of traditional spectrometers, describe how such devices can be used in optical/infrared spectrometers designed specifically for curved diffraction gratings. Volume Phase Holographic gratings are highly efficient compared to conventional surface relief gratings; they have become the disperser of choice in optical / NIR spectrometers. The advantage of spectrometers with curved VPH dispersers is the very small number of optical elements used (the simplest comprising a grating and a spherical mirror), as well as illumination of mirrors off axis, resulting in greater efficiency and reduction in size. We describe a "Half Offner" spectrometer, an even simpler version of the Offner spectrometer. We present an entirely novel design, the Spherical Transmission Grating Spectrometer (STGS), and discuss exemplary applications, including a design for a double-beam spectrometer without any requirement for a dichroic. This paradigm change in spectrometer design offers an alternative to all-refractive astronomical spectrometer designs, using expensive, fragile lens elements fabricated from CaF2 or even more exotic materials. The unobscured mirror layout avoids a major drawback of the previous generation of catadioptric spectrometer designs. We describe laboratory measurements of the efficiency and image quality of a curved VPH grating in a STGS design, demonstrating, simultaneously, efficiency comparable to planar VPH gratings along with good image quality. The stage is now set for construction of a prototype instrument with impressive performance.
Energy Technology Data Exchange (ETDEWEB)
Srikannathasan, Velupillai; English, Grant [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Bui, Nhat Khai [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A. [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Vollmer, Waldemar [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Coulthurst, Sarah J., E-mail: s.j.coulthurst@dundee.ac.uk; Hunter, William N., E-mail: s.j.coulthurst@dundee.ac.uk [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom)
2013-12-01
Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2
International Nuclear Information System (INIS)
Srikannathasan, Velupillai; English, Grant; Bui, Nhat Khai; Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A.; Vollmer, Waldemar; Coulthurst, Sarah J.; Hunter, William N.
2013-01-01
Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2
Energy Technology Data Exchange (ETDEWEB)
Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)
2017-04-15
Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.
International Nuclear Information System (INIS)
Ermakov, A.I.; Belousov, V.V.
2007-01-01
Relaxation effect of functions of the basis sets (BS) STO-3G and 6-31G* on their equilibration in the series of isoelectron molecules: LiF, BeO, BN and C 2 is considered. Values of parameters (exponential factor of basis functions, orbital exponents of Gauss primitives and coefficients of their grouping) of basis functions in molecules are discovered using the criterion of minimum of energy by the unlimited Hartree-Fock method calculations (UHF) with the help of direct optimization of parameters: the simplex-method and Rosenbrock method. Certain schemes of optimization differing by the amount of varying parameters have been done. Interaction of basis functions parameters of concerned sets through medium values of the Gauss exponents is established. Effects of relaxation on the change of full energy and relative errors of the calculations of interatomic distances, normal oscillations frequencies, dissociation energy and other properties of molecules are considered. Change of full energy during the relaxation of basis functions (RBF) STO-3G and 6-31G* amounts 1100 and 80 kJ/mol correspondingly, and it is in need of the account during estimation of energetic characteristics, especially for systems with high-polar chemical bonds. The relaxation BS STO-3G practically in all considered cases improves description of molecular properties, whereas the relaxation BS 6-31G* lightly effects on its equilibration [ru
Directory of Open Access Journals (Sweden)
M. Wolstencroft
2011-12-01
Full Text Available We investigate the influence on mantle convection of the negative Clapeyron slope ringwoodite to perovskite and ferro-periclase mantle phase transition, which is correlated with the seismic discontinuity at 660 km depth. In particular, we focus on understanding the influence of the magnitude of the Clapeyron slope (as measured by the Phase Buoyancy parameter, P and the vigour of convection (as measured by the Rayleigh number, Ra on mantle convection. We have undertaken 76 simulations of isoviscous mantle convection in spherical geometry, varying Ra and P. Three domains of behaviour were found: layered convection for high Ra and more negative P, whole mantle convection for low Ra and less negative P, and transitional behaviour in an intervening domain. The boundary between the layered and transitional domain was fit by a curve P = α Ra^{β} where α = −1.05, and β = −0.1, and the fit for the boundary between the transitional and whole mantle convection domain was α = −4.8, and β = −0.25. These two curves converge at Ra ≈ 2.5 × 10^{4} (well below Earth mantle vigour and P ≈ −0.38. Extrapolating to high Ra, which is likely earlier in Earth history, this work suggests a large transitional domain. It is therefore likely that convection in the Archean would have been influenced by this phase change, with Earth being at least in the transitional domain, if not the layered domain.
Directory of Open Access Journals (Sweden)
Giovanni ePezzulo
2013-11-01
Full Text Available The article explores the possibilities of formalizing and explaining the mechanisms that support spatial and social perspective alignment sustained over the duration of a social interaction. The basic proposed principle is that in social contexts the mechanisms for sensorimotor transformations and multisensory integration (learn to incorporate information relative to the other actor(s, similar to the "re-calibration" of visual receptive fields in response to repeated tool use. This process aligns or merges the co-actors' spatial representations and creates a "Shared Action Space" supporting key computations of social interactions and joint actions; for example, the remapping between the coordinate systems and frames of reference of the co-actors, including perspective taking, the sensorimotor transformations required for lifting jointly an object, and the predictions of the sensory effects of such joint action. The social re-calibration is proposed to be based on common basis function maps and could constitute an optimal solution to sensorimotor transformation and multisensory integration in joint action or more in general social interaction contexts. However, certain situations such as discrepant postural and viewpoint alignment and associated differences in perspectives between the co-actors could constrain the process quite differently. We discuss how alignment is achieved in the first place, and how it is maintained over time, providing a taxonomy of various forms and mechanisms of space alignment and overlap based, for instance, on automaticity vs. control of the transformations between the two agents. Finally, we discuss the link between low-level mechanisms for the sharing of space and high-level mechanisms for the sharing of cognitive representations.
International Nuclear Information System (INIS)
Roshani, G.H.; Nazemi, E.; Roshani, M.M.
2017-01-01
Changes of fluid properties (especially density) strongly affect the performance of radiation-based multiphase flow meter and could cause error in recognizing the flow pattern and determining void fraction. In this work, we proposed a methodology based on combination of multi-beam gamma ray attenuation and dual modality densitometry techniques using RBF neural network in order to recognize the flow regime and determine the void fraction in gas-liquid two phase flows independent of the liquid phase changes. The proposed system is consisted of one 137 Cs source, two transmission detectors and one scattering detector. The registered counts in two transmission detectors were used as the inputs of one primary Radial Basis Function (RBF) neural network for recognizing the flow regime independent of liquid phase density. Then, after flow regime identification, three RBF neural networks were utilized for determining the void fraction independent of liquid phase density. Registered count in scattering detector and first transmission detector were used as the inputs of these three RBF neural networks. Using this simple methodology, all the flow patterns were correctly recognized and the void fraction was predicted independent of liquid phase density with mean relative error (MRE) of less than 3.28%. - Highlights: • Flow regime and void fraction were determined in two phase flows independent of the liquid phase density changes. • An experimental structure was set up and the required data was obtained. • 3 detectors and one gamma source were used in detection geometry. • RBF networks were utilized for flow regime and void fraction determination.
Spherical projections and liftings in geometric tomography
DEFF Research Database (Denmark)
Goodey, Paul; Kiderlen, Markus; Weil, Wolfgang
2011-01-01
We consider a variety of integral transforms arising in Geometric Tomography. It will be shown that these can be put into a common framework using spherical projection and lifting operators. These operators will be applied to support functions and surface area measures of convex bodies and to rad......We consider a variety of integral transforms arising in Geometric Tomography. It will be shown that these can be put into a common framework using spherical projection and lifting operators. These operators will be applied to support functions and surface area measures of convex bodies...... and to radial functions of star bodies. We then investigate averages of lifted projections and show that they correspond to self-adjoint intertwining operators. We obtain formulas for the eigenvalues of these operators and use them to ascertain circumstances under which tomographic measurements determine...... the original bodies. This approach via mean lifted projections leads us to some unexpected relationships between seemingly disparate geometric constructions....
First results of spherical GEMs
Pinto, Serge Duarte; Brock, Ian; Croci, Gabriele; David, Eric; de Oliveira, Rui; Ropelewski, Leszek; van Stenis, Miranda; Taureg, Hans; Villa, Marco
2010-01-01
We developed a method to make GEM foils with a spherical geometry. Tests of this procedure and with the resulting spherical GEMs are presented. Together with a spherical drift electrode, a spherical conversion gap can be formed. This eliminates the parallax error for detection of x-rays, neutrons or UV photons when a gaseous converter is used. This parallax error limits the spatial resolution at wide scattering angles. Besides spherical GEMs, we have developed curved spacers to maintain accurate spacing, and a conical field cage to prevent edge distortion of the radial drift field up to the limit of the angular acceptance of the detector. With these components first tests are done in a setup with a spherical entrance window but a planar readout structure; results will be presented and discussed. A flat readout structure poses difficulties, however. Therefore we will show advanced plans to make a prototype of an entirely spherical double-GEM detector, including a spherical 2D readout structure. This detector w...
Spherical Torus Center Stack Design
International Nuclear Information System (INIS)
C. Neumeyer; P. Heitzenroeder; C. Kessel; M. Ono; M. Peng; J. Schmidt; R. Woolley; I. Zatz
2002-01-01
The low aspect ratio spherical torus (ST) configuration requires that the center stack design be optimized within a limited available space, using materials within their established allowables. This paper presents center stack design methods developed by the National Spherical Torus Experiment (NSTX) Project Team during the initial design of NSTX, and more recently for studies of a possible next-step ST (NSST) device
Wang, Feng; Pang, Wenning; Duffy, Patrick
2012-12-01
Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the
Spherical collapse in quintessence models with zero speed of sound
International Nuclear Information System (INIS)
Creminelli, Paolo; D'Amico, Guido; Noreña, Jorge; Senatore, Leonardo; Vernizzi, Filippo
2010-01-01
We study the spherical collapse model in the presence of quintessence with negligible speed of sound. This case is particularly motivated for w Q /Ω m . This gives a distinctive modification of the total mass function at low redshift
Aircraft navigation and surveillance analysis for a spherical earth
2014-10-01
This memorandum addresses a fundamental function in surveillance and navigation analysis : quantifying the geometry of two or more locations relative to each other and to a spherical earth. Here, geometry refers to: (a) points (idealized lo...
Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.
2012-10-01
We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.
Particle Entrainment in Spherical-Cap Wakes
Energy Technology Data Exchange (ETDEWEB)
Warncke, Norbert G W; Delfos, Rene; Ooms, Gijs; Westerweel, Jerry, E-mail: n.g.w.warncke@tudelft.nl [Laboratory for Aero- and Hydrodynamics, Delft University of Technology (Netherlands)
2011-12-22
In this work we study the preferential concentration of small particles in the turbulent wake behind a spherical-cap object. We present a model predicting the mean particle concentration in the near-wake as a function of the characteristic Stokes number of the problem, the turbulence level and the Froude number. We compare the model with our experimental results on this flow, measured in a vertical water tunnel.
All silicon waveguide spherical microcavity coupler device.
Xifré-Pérez, E; Domenech, J D; Fenollosa, R; Muñoz, P; Capmany, J; Meseguer, F
2011-02-14
A coupler based on silicon spherical microcavities coupled to silicon waveguides for telecom wavelengths is presented. The light scattered by the microcavity is detected and analyzed as a function of the wavelength. The transmittance signal through the waveguide is strongly attenuated (up to 25 dB) at wavelengths corresponding to the Mie resonances of the microcavity. The coupling between the microcavity and the waveguide is experimentally demonstrated and theoretically modeled with the help of FDTD calculations.
Energy Technology Data Exchange (ETDEWEB)
Miao, Hui [School of Physics, Northwest University, Xi’an 710069 (China); National Photoelectric Technology and Functional Materials & Application of Science and Technology International Cooperation Base, Northwest University, Xi’an 710069 (China); Ji, Ruonan [School of Physics, Northwest University, Xi’an 710069 (China); Hu, Xiaoyun, E-mail: hxy3275@nwu.edu.cn [School of Physics, Northwest University, Xi’an 710069 (China); National Photoelectric Technology and Functional Materials & Application of Science and Technology International Cooperation Base, Northwest University, Xi’an 710069 (China); Han, Linzi; Hao, Yuanyuan; Sun, Qian [School of Physics, Northwest University, Xi’an 710069 (China); Zhang, Dekai [School of Physics, Northwest University, Xi’an 710069 (China); National Photoelectric Technology and Functional Materials & Application of Science and Technology International Cooperation Base, Northwest University, Xi’an 710069 (China); Fan, Jun [School of Chemical Engineering, Northwest University, Xi’an 710069 (China); Bai, Jintao [School of Physics, Northwest University, Xi’an 710069 (China); National Photoelectric Technology and Functional Materials & Application of Science and Technology International Cooperation Base, Northwest University, Xi’an 710069 (China); and others
2015-04-25
Highlights: • Eu{sup 3+} and Tb{sup 3+} co-doped Y{sub 2}O{sub 3} particles were successfully prepared. The as prepared particles can convert UV region photos to visible photons between 460 nm and 640 nm, which just matched the spectral response of most solar cells. • Y{sub 2}O{sub 3} is not only a good photoluminescence host material, but also it has high corrosion resistivity, thermal stability, and transparency from violet to infrared light. Cooperated with SiO{sub 2} sols, it could realize a better anti-reflection property. • As a proof-of-concept application, the as prepared bi-functional films could effectively improve the photoelectric conversion efficiency by 0.23% compared to pure SiO{sub 2} AR coating film and 0.55% compared to glass. - Abstract: In this study, Eu{sup 3+} and Tb{sup 3+} co-doped Y{sub 2}O{sub 3} particles were prepared via the simple, cost-effective urea homogeneous precipitation method without additives. The chosen particles were added in the SiO{sub 2} sols to get anti-reflection (AR) and wavelength conversion bi-functional films. Careful investigations were carried out to find the optimum preparation conditions and proper morphology. SEM images showed that the particle sizes reduced as metal ion/urea ratio decreased. Additionally, the extracted particles turned from sphere to lamellar type when the deionized water, which was used as solvent, reduced to a certain extent. The mechanisms of the morphology formation and diversification were proposed as well. The as prepared materials can convert UV region photos to visible photons between 460 nm and 640 nm, which just matched the spectral response of most solar cells. The spherical sample showed better luminescence performance than the one with lamellar morphology. In addition, the optical transmittance spectra indicated that the films adding spherical particles had better anti-reflective performance, and the best adding amount was 0.08 g. Finally, As a proof-of-concept application
Quasiparticle--phonon model of the nucleus. V. Odd spherical nuclei
International Nuclear Information System (INIS)
Vdovin, A.I.; Voronov, V.V.; Solov'ev, V.G.; Stoyanov, C.
1985-01-01
The formalism of the quasiparticle--phonon model of the nucleus for odd spherical nuclei is presented. The exact commutation relations of the quasiparticle and phonon operators together with the anharmonic corrections for the phonon excitations are taken into account in the derivation of equations for the energies and structure coefficients of the wave functions of excited states, which include quasiparticle--phonon and quasiparticle--two-phonon components. The influence of various physical effects and of the dimension of the phonon basis on the fragmentation of the single-quasiparticle and quasiparticle-phonon states is investigated
Electrical properties of spherical syncytia.
Eisenberg, R S; Barcilon, V; Mathias, R T
1979-01-01
Syncytial tissues consist of many cells whose intracellular spaces are electrically coupled one to another. Such tissues typically include narrow, tortuous extracellular space and often have specialized membranes at their outer surface. We derive differential equations to describe the potentials induced when a sinusoidal or steady current is applied to the intracellular space with a microelectrode. We derive solutions for spherical preparations with isotropic properties or with a particular anisotropy in effective extracellular and intracellular resistivities. Solutions are presented in an approximate form with a simple physical interpretation. The leading term in the intracellular potential describes an "isopotential" cell in which there is no spatial variation of intracellular potential. The leading term in the extracellular potential, and thus the potential across the inner membranes, varies with radial position, even at zero frequency. The next term of the potentials describes the direct effects of the point source of current and, for the parameters given here, acts as a series resistance producing a large local potential drop essentially independent of frequency. A lumped equivalent circuit describes the "low frequency" behavior of the syncytium, and a distributed circuit gives a reasonably accurate general description. Graphs of the spatial variation and frequency dependence of intracellular, extracellular, and transmembrane potential are given, the response to sinusoidal currents is used to calculate numerically the response to a step function of current.
Alfven Eigenmodes in spherical tokamaks
International Nuclear Information System (INIS)
Gryaznevich, Mikhail P.; Sharapov, Sergei E.; Berk, Herbert L.; Pinches, Simon D.
2005-01-01
Electromagnetic instabilities are often excited by fast super-Alfvenic ions produced by neutral beam injection (NBI) in plasmas of the spherical tokamaks START and MAST (toroidal magnetic confinement devices in which the minor a and major R 0 radii of the torus are comparable, R 0 /a≅1.2/1.8). These instabilities are seen as discrete weakly-damped toroidal and elliptical Alfven Eigenmodes (TAEs and EAEs) with frequencies tracing in time the Alfven scaling with the equilibrium magnetic field and plasma density, or as energetic particle modes (EPMs) whose frequencies don't start from TAE-frequency and sweep down in time faster than the equilibrium parameters change. In some discharges the beam drives Aflvenic-type modes that start from the TAE frequency and sweep in both up- and down- directions. Such electromagnetic perturbations are interpreted as 'hole-clump' long-living nonlinear fluctuations of the fast ion distribution function predicted by Berk-Breizman-Petviashvili [Phys. Lett. A238 (1998) 408]. It is found on both START and MAST that the Alfven instabilities weaken in their mode amplitude and in the number of unstable modes as the pressure of the thermal plasma increases, in agreement with increased thermal ion Landau damping and the pressure effect on core-localised TAEs. (author)
Spherically symmetric charged compact stars
Energy Technology Data Exchange (ETDEWEB)
Maurya, S.K. [University of Nizwa, Department of Mathematical and Physical Sciences, College of Arts and Science, Nizwa (Oman); Gupta, Y.K. [Jaypee Institute of Information Technology University, Department of Mathematics, Noida, Uttar Pradesh (India); Ray, Saibal [Government College of Engineering and Ceramic Technology, Department of Physics, Kolkata, West Bengal (India); Chowdhury, Sourav Roy [Seth Anandaram Jaipuria College, Department of Physics, Kolkata, West Bengal (India)
2015-08-15
In this article we consider the static spherically symmetric metric of embedding class 1. When solving the Einstein-Maxwell field equations we take into account the presence of ordinary baryonic matter together with the electric charge. Specific new charged stellar models are obtained where the solutions are entirely dependent on the electromagnetic field, such that the physical parameters, like density, pressure etc. do vanish for the vanishing charge. We systematically analyze altogether the three sets of Solutions I, II, and III of the stellar models for a suitable functional relation of ν(r). However, it is observed that only the Solution I provides a physically valid and well-behaved situation, whereas the Solutions II and III are not well behaved and hence not included in the study. Thereafter it is exclusively shown that the Solution I can pass through several standard physical tests performed by us. To validate the solution set presented here a comparison has also been made with that of the compact stars, like RX J 1856 - 37, Her X - 1, PSR 1937+21, PSRJ 1614-2230, and PSRJ 0348+0432, and we have shown the feasibility of the models. (orig.)
JUST: Joint Upgraded Spherical Tokamak
International Nuclear Information System (INIS)
Azizov, E.A.; Dvorkin, N.Ya.; Filatov, O.G.
1997-01-01
The main goals, ideas and the programme of JUST, spherical tokamak (ST) for the plasma burn investigation, are presented. The place and prospects of JUST in thermonuclear investigations are discussed. (author)
Spherical tokamak development in Brazil
International Nuclear Information System (INIS)
Ludwig, G.O.; Del Bosco, E.; Ferreira, J.G.; Berni, L.A.; Oliveira, R.M.; Andrade, M.C.R.; Shibata, C.S.; Ueda, M.; Barroso, J.J.; Castro, P.J.; Barbosa, L.F.W.; Patire Junior, H.; The high-power microwave sources group
2003-01-01
This paper describes the general characteristics of spherical tokamaks, or spherical tori, with a brief overview of work in this area already performed or in progress at several institutions worldwide. The paper presents also the steps in the development of the ETE (Experimento Tokamak Esferico) project, its research program, technical characteristics and operating conditions as of December, 2002 at the Associated Plasma Laboratory (LAP) of the National Space Research Institute (INPE) in Brazil. (author)
Miniaturization of Spherical Magnetodielectric Antennas
DEFF Research Database (Denmark)
Hansen, Troels Vejle
; Arbitrary order of the spherical wave, arbitrary radius of the spherical antenna, as well as arbitrarily large core permeability and/or permittivity, given an inversely proportional frequency variation of the imaginary part(s) and an arbitrary dispersion of the real part(s) - thus describing both lossless...... with a magnetic loss tangent of 1 and relative permeability of 300 yield Q/e equal 65% of the Chu lower bound, with a simultaneous e of 71%....
Spherical tokamak development in Brazil
Energy Technology Data Exchange (ETDEWEB)
Ludwig, G.O.; Del Bosco, E.; Ferreira, J.G.; Berni, L.A.; Oliveira, R.M.; Andrade, M.C.R.; Shibata, C.S.; Ueda, M.; Barroso, J.J.; Castro, P.J. [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Plasma; Barbosa, L.F.W. [Universidade do Vale do Paraiba (UNIVAP), Sao Jose dos Campos, SP (Brazil). Faculdade de Engenharia, Arquitetura e Urbanismo; Patire Junior, H. [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Div. de Mecanica Espacial e Controle; The high-power microwave sources group
2003-12-01
This paper describes the general characteristics of spherical tokamaks, or spherical tori, with a brief overview of work in this area already performed or in progress at several institutions worldwide. The paper presents also the steps in the development of the ETE (Experimento Tokamak Esferico) project, its research program, technical characteristics and operating conditions as of December, 2002 at the Associated Plasma Laboratory (LAP) of the National Space Research Institute (INPE) in Brazil. (author)
Exact solution of the neutron transport equation in spherical geometry
Energy Technology Data Exchange (ETDEWEB)
Anli, Fikret; Akkurt, Abdullah; Yildirim, Hueseyin; Ates, Kemal [Kahramanmaras Suetcue Imam Univ. (Turkey). Faculty of Sciences and Letters
2017-03-15
Solution of the neutron transport equation in one dimensional slab geometry construct a basis for the solution of neutron transport equation in a curvilinear geometry. Therefore, in this work, we attempt to derive an exact analytical benchmark solution for both neutron transport equations in slab and spherical medium by using P{sub N} approximation which is widely used in neutron transport theory.
International Nuclear Information System (INIS)
Hollauer, E.; Nascimento, M.A.C.
1985-01-01
The photoionization cross-section and dynamic polarizability for lithium atom are calculated using a discrete basis set to represent both the bound and the continuum-states of the atom, to construct an approximation to the dynamic polarizability. From the imaginary part of the complex dynamic polarizability one extracts the photoionization cross-section and from its real part the dynamic polarizability. The results are in good agreement with the experiments and other more elaborate calculations (Author) [pt
Gegner, Julie; Spruill, Natalie; Plesniak, Leigh A.
1999-11-01
The terms "structure" and "function" can assume a variety of meanings. In biochemistry, the "structure" of a protein can refer to its sequence of amino acids, the three-dimensional arrangement of atoms within a subunit, or the arrangement of subunits into a larger oligomeric or filamentous state. Likewise, the function of biological macromolecules can be examined at many levels. The function of a protein can be described by its role in an organism's survival or by a chemical reaction that it promotes. We have designed a three-part biochemical laboratory experiment that characterizes the structure and function of the Escherichia coli RecA protein. The first part examines the importance of RecA in the survival of bacteria that have been exposed to UV light. This is the broadest view of function of the enzyme. Second, the students use an in vitro assay of RecA whereby the protein promotes homologous recombination. Because RecA functions not catalytically, but rather stoichiometrically, in this recombination reaction, the oligomeric state of RecA in complex with DNA must also be discussed. Finally, through molecular modeling of X-ray crystallographic structures, students identify functionally important features of the ATP cofactor binding site of RecA.
Hutter, Jürg
2003-03-01
An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.
Rosolen, A.; Peco, C.; Arroyo, M.
2013-01-01
We present an adaptive meshfree method to approximate phase-field models of biomembranes. In such models, the Helfrich curvature elastic energy, the surface area, and the enclosed volume of a vesicle are written as functionals of a continuous phase-field, which describes the interface in a smeared manner. Such functionals involve up to second-order spatial derivatives of the phase-field, leading to fourth-order Euler–Lagrange partial differential equations (PDE). The solutions develop sharp i...
Modelling of UWB Antenna Perturbed by Human Phantom in Spherical Harmonics Space
DEFF Research Database (Denmark)
Mhedhbi, Meriem; Avrillon, Stephane; Pedersen, Troels
2014-01-01
is attractive for simulation purposes. We propose a simple model for the spherical harmonics coefficients allowing to predict the antenna behavior perturbed by a human phantom. The model is based on knowledge of the spherical harmonic coefficients of antenna in free space and the antenna-phantom distance.......In this paper we study how the antenna radiation pattern is perturbed in the presence of a human phantom in terms of changes in the coefficients of the spherical harmonic antenna representation. The spherical harmonic basis allows for a compact representation of the antenna pattern which...
Detection based on rainbow refractometry of droplet sphericity in liquid-liquid systems.
Lohner, H; Lehmann, P; Bauckhage, K
1999-03-01
The shape of droplets in liquid-liquid systems influences their mass and momentum transfer processes. The deviation from sphericity of rising droplets in liquid-liquid systems was investigated for different droplet sizes. Rainbow refractometry permits one to test, in this case, whether the use of laser-optical particle sizing will be correct or faulty. Since the assumption of spherical particle geometry is a general basis of laser-optical particle-sizing techniques such as rainbow refractometry or phase Doppler anemometry, deviation from the spherical shape results in a measuring error. A sphericity check based on rainbow refractometry is introduced.
The spherical limit of the n-vector model and correlation inequaljties
International Nuclear Information System (INIS)
Angelescu, N.; Bundaru, M.; Costache, G.
1978-08-01
The asymptotics of the state of the n-vector model with a finite number of spins in the spherical limit is studied. Besides rederiving the limit free energy, corresponding to a generalized spherical model (with ''spherical constraint'' at every site), we obtain also the limit of the correlation functions, which allow a precise definition of the state of the latter model. Correlation inequalities are proved for ferromagnetic interactions in the asymptotic regime. In particular, it is shown that the generalized spherical model fulfills the expected Griffiths' type inequalities, differing in this respect from the spherical model with overall constraint. (author)
Spherical Cancer Models in Tumor Biology
Directory of Open Access Journals (Sweden)
Louis-Bastien Weiswald
2015-01-01
Full Text Available Three-dimensional (3D in vitro models have been used in cancer research as an intermediate model between in vitro cancer cell line cultures and in vivo tumor. Spherical cancer models represent major 3D in vitro models that have been described over the past 4 decades. These models have gained popularity in cancer stem cell research using tumorospheres. Thus, it is crucial to define and clarify the different spherical cancer models thus far described. Here, we focus on in vitro multicellular spheres used in cancer research. All these spherelike structures are characterized by their well-rounded shape, the presence of cancer cells, and their capacity to be maintained as free-floating cultures. We propose a rational classification of the four most commonly used spherical cancer models in cancer research based on culture methods for obtaining them and on subsequent differences in sphere biology: the multicellular tumor spheroid model, first described in the early 70s and obtained by culture of cancer cell lines under nonadherent conditions; tumorospheres, a model of cancer stem cell expansion established in a serum-free medium supplemented with growth factors; tissue-derived tumor spheres and organotypic multicellular spheroids, obtained by tumor tissue mechanical dissociation and cutting. In addition, we describe their applications to and interest in cancer research; in particular, we describe their contribution to chemoresistance, radioresistance, tumorigenicity, and invasion and migration studies. Although these models share a common 3D conformation, each displays its own intrinsic properties. Therefore, the most relevant spherical cancer model must be carefully selected, as a function of the study aim and cancer type.
Ferenczy, György G
2013-04-05
The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.
Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions
Jerke, Jonathan; Poirier, Bill
2018-03-01
Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.
International Nuclear Information System (INIS)
Lafore, P.
1965-01-01
The object of the present work is to draw up a basic set of orthogonal eigenfunctions; resolution of the one-velocity integral-differential Boltzmann equation; this in the case of a spherical geometry system. (author) [fr
Baddari, Kamel; Makdeche, Said; Bellalem, Fouzi
2013-02-01
Based on the moment magnitude scale, a probabilistic model was developed to predict the occurrences of strong earthquakes in the seismoactive area of Zemmouri, Algeria. Firstly, the distributions of earthquake magnitudes M i were described using the distribution function F 0(m), which adjusts the magnitudes considered as independent random variables. Secondly, the obtained result, i.e., the distribution function F 0(m) of the variables M i was used to deduce the distribution functions G(x) and H(y) of the variables Y i = Log M 0,i and Z i = M 0,i , where (Y i)i and (Z i)i are independent. Thirdly, some forecast for moments of the future earthquakes in the studied area is given.
Spherical convolutions and their application in molecular modelling
DEFF Research Database (Denmark)
Boomsma, Wouter; Frellsen, Jes
2017-01-01
Convolutional neural networks are increasingly used outside the domain of image analysis, in particular in various areas of the natural sciences concerned with spatial data. Such networks often work out-of-the box, and in some cases entire model architectures from image analysis can be carried over...... to other problem domains almost unaltered. Unfortunately, this convenience does not trivially extend to data in non-euclidean spaces, such as spherical data. In this paper, we introduce two strategies for conducting convolutions on the sphere, using either a spherical-polar grid or a grid based...... of spherical convolutions in the context of molecular modelling, by considering structural environments within proteins. We show that the models are capable of learning non-trivial functions in these molecular environments, and that our spherical convolutions generally outperform standard 3D convolutions...
Gitman, M.B.; Klyuev, A.V.; Stolbov, V.Y.; Gitman, I.M.
2017-01-01
The technique allows analysis using grain-phase structure of the functional material to evaluate its performance, particularly strength properties. The technique is based on the use of linguistic variable in the process of comprehensive evaluation. An example of estimating the strength properties of steel reinforcement, subject to special heat treatment to obtain the desired grain-phase structure.
Lin, Chuang; Wang, Binghui; Jiang, Ning; Farina, Dario
2018-04-01
Objective. This paper proposes a novel simultaneous and proportional multiple degree of freedom (DOF) myoelectric control method for active prostheses. Approach. The approach is based on non-negative matrix factorization (NMF) of surface EMG signals with the inclusion of sparseness constraints. By applying a sparseness constraint to the control signal matrix, it is possible to extract the basis information from arbitrary movements (quasi-unsupervised approach) for multiple DOFs concurrently. Main Results. In online testing based on target hitting, able-bodied subjects reached a greater throughput (TP) when using sparse NMF (SNMF) than with classic NMF or with linear regression (LR). Accordingly, the completion time (CT) was shorter for SNMF than NMF or LR. The same observations were made in two patients with unilateral limb deficiencies. Significance. The addition of sparseness constraints to NMF allows for a quasi-unsupervised approach to myoelectric control with superior results with respect to previous methods for the simultaneous and proportional control of multi-DOF. The proposed factorization algorithm allows robust simultaneous and proportional control, is superior to previous supervised algorithms, and, because of minimal supervision, paves the way to online adaptation in myoelectric control.
Crack propagation on spherical pressure vessels
International Nuclear Information System (INIS)
Lebey, J.; Roche, R.
1975-01-01
The risk presented by a crack on a pressure vessel built with a ductile steel cannot be well evaluated by simple application of the rules of Linear Elastic Fracture Mechanics, which only apply to brittle materials. Tests were carried out on spherical vessels of three different scales built with the same steel. Cracks of different length were machined through the vessel wall. From the results obtained, crack initiation stress (beginning of stable propagation) and instable propagation stress may be plotted against the lengths of these cracks. For small and medium size, subject to ductile fracture, the resulting curves are identical, and may be used for ductile fracture prediction. Brittle rupture was observed on larger vessels and crack propagation occurred at lower stress level. Preceedings curves are not usable for fracture analysis. Ultimate pressure can be computed with a good accuracy by using equivalent energy toughness, Ksub(1cd), characteristic of the metal plates. Satisfactory measurements have been obtained on thin samples. The risks of brittle fracture may then judged by comparing Ksub(1cd) with the calculated K 1 value, in which corrections for vessel shape are taken into account. It is thus possible to establish the bursting pressure of cracked spherical vessels, with the help of two rules, one for brittle fracture, the other for ductile instability. A practical method is proposed on the basis of the work reported here
Directory of Open Access Journals (Sweden)
Xiao-Bing eGao
2015-10-01
Full Text Available The neuronal system that resides in the perifornical and lateral hypothalamus (Pf/LH and synthesizes the neuropeptide hypocretin/orexin participates in critical brain functions across species from fish to human. The hypocretin system regulates neural activity responsible for daily functions (such as sleep/wake homeostasis, energy balance, appetite, etc and long-term behavioral changes (such as reward seeking and addiction, stress response, etc in animals. The most recent evidence suggests that the hypocretin system undergoes substantial plastic changes in response to both daily fluctuations (such as food intake and sleep-wake regulation and long-term changes (such as cocaine seeking in neuronal activity in the brain. The understanding of these changes in the hypocretin system is essential in addressing the role of the hypocretin system in normal physiological functions and pathological conditions in animals and humans. In this review, the evidence demonstrating that neural plasticity occurs in hypocretin-containing neurons in the Pf/LH will be presented and possible physiological behavioral, and mental health implications of these findings will be discussed.
Gao, Xiao-Bing; Hermes, Gretchen
2015-01-01
The neuronal system that resides in the perifornical and lateral hypothalamus (Pf/LH) and synthesizes the neuropeptide hypocretin/orexin participates in critical brain functions across species from fish to human. The hypocretin system regulates neural activity responsible for daily functions (such as sleep/wake homeostasis, energy balance, appetite, etc.) and long-term behavioral changes (such as reward seeking and addiction, stress response, etc.) in animals. The most recent evidence suggests that the hypocretin system undergoes substantial plastic changes in response to both daily fluctuations (such as food intake and sleep-wake regulation) and long-term changes (such as cocaine seeking) in neuronal activity in the brain. The understanding of these changes in the hypocretin system is essential in addressing the role of the hypocretin system in normal physiological functions and pathological conditions in animals and humans. In this review, the evidence demonstrating that neural plasticity occurs in hypocretin-containing neurons in the Pf/LH will be presented and possible physiological, behavioral, and mental health implications of these findings will be discussed. PMID:26539086
Trapped surfaces in spherical stars
International Nuclear Information System (INIS)
Bizon, P.; Malec, E.; O'Murchadha, N.
1988-01-01
We give necessary and sufficient conditions for the existence of trapped surfaces in spherically symmetric spacetimes. These conditions show that the formation of trapped surfaces depends on both the degree of concentration and the average flow of the matter. The result can be considered as a partial validation of the cosmic-censorship hypothesis
Spherical Pendulum, Actions, and Spin
Richter, Peter H.; Dullin, Holger R.; Waalkens, Holger; Wiersig, Jan
1996-01-01
The classical and quantum mechanics of a spherical pendulum are worked out, including the dynamics of a suspending frame with moment of inertia θ. The presence of two separatrices in the bifurcation diagram of the energy-momentum mapping has its mathematical expression in the hyperelliptic nature of
Directory of Open Access Journals (Sweden)
Shuang Wang
2012-01-01
Full Text Available As an efficient tool, radial basis function (RBF has been widely used for the multivariate approximation, interpolating continuous, and the solution of the particle differential equations. However, ill-conditioned interpolation matrix may be encountered when the interpolation points are very dense or irregularly arranged. To avert this problem, RBFs with variable shape parameters are introduced, and several new variation strategies are proposed. Comparison with the RBF with constant shape parameters are made, and the results show that the condition number of the interpolation matrix grows much slower with our strategies. As an application, an improved collocation meshless method is formulated by employing the new RBF. In addition, the Hermite-type interpolation is implemented to handle the Neumann boundary conditions and an additional sine/cosine basis is introduced for the Helmlholtz equation. Then, two interior acoustic problems are solved with the presented method; the results demonstrate the robustness and effectiveness of the method.
RENAL FUNCTION TEST ON THE BASIS OF SERUM CREATININE AND UREA IN TYPE-2 DIABETICS AND NONDIABETICS
Directory of Open Access Journals (Sweden)
P. Singh
2014-01-01
Full Text Available Background: Type-2 diabetes mellitus has quickly become a global health problem due to rapidly increasing population growth, aging, urbanization and increasing prevalence of obesity and physical inactivity. Diabetic nephropathy is one of the major causes of chronic renal failure. Both serum urea and creatinine are widely used to assess the function of kidney. This study was conducted to observe the impaired renal function in type 2 diabetics and compare with non-diabetics controls. Method: To determine the incidence of renal dysfunction in diabetics in Nepalgunj medical college and Hospital , Nepalgunj , Banke, Nepal , blood samples from 100 diabetic subjects and 100 non-diabetic controls were taken between the period 1st February , 2012 to 31st January , 2013 for investigation of plasma glucose fasting(FPG, blood urea and serum creatinine. These biochemical parameters were determined by using a fully automated clinical chemistry analyzer. Results: Our findings showed that the level of blood urea (P<0.0001, 95%Cl and serum creatinine (P≈0.0004,95%Cl were significantly higher in type 2 diabetics as compared to non-diabetics in both male and female. There was no significant difference between diabetic male and female. 15 out of 100 diabetes samples have high urea level whereas 7 out of 100 had increased creatinine level. In control only 3 samples had high urea value and 1 had high creatinine level. There was statistical signiﬁcant increased in urea level with increased in blood sugar level. Conclusion: Blood urea and creatinine is widely accepted to assess the renal functions. Good control of blood glucose level is absolute requirement to prevent progressive renal impairment.
Petreska, Irina; Ivanovski, Gjorgji; Pejov, Ljupčo
2007-04-01
The effect of external electrostatic fields on the spherical oscillator energy states was studied using stationary perturbation theory. Besides the spherical oscillator with ideal symmetry, also a variety of the deformed systems were considered in which the deformations may be induced by the external fields, but also by the short-range crystal lattice forces. The perturbation theory analysis was carried out using the field-dependent basis functions. Predicted spectral appearances and band splittings due to the deformations and external field influences were shown to be helpful in interpreting the experimental spectra of molecular oscillator possessing subsets of mutually orthogonal triply degenerate normal modes (such as, e.g. tetrahedral species). To verify the results of the perturbation theory treatments, as well as to provide a further illustration of the usefulness of the employed technique, a numerical HF/aug-cc-pVTZ study of the vibrational states of methane molecule in external electrostatic field was performed.
Wang, Shujun; Wang, Jinrong; Yu, Jinglin; Wang, Shuo
2016-01-01
The effects of three saturated fatty acids on functional properties of normal wheat and waxy wheat starches were investigated. The complexing index (CI) of normal wheat starch-fatty acid complexes decreased with increasing carbon chain length. In contrast, waxy wheat starch-fatty acid complexes presented much lower CI. V-type crystalline polymorphs were formed between normal wheat starch and three fatty acids, with shorter chain fatty acids producing more crystalline structure. FTIR and Raman spectroscopy presented the similar results with XRD. The formation of amylose-fatty acid complex inhibited granule swelling, gelatinization progression, retrogradation and pasting development of normal wheat starch, with longer chain fatty acids showing greater inhibition. Amylopectin can also form complexes with fatty acids, but the amount of complex was too little to be detected by XRD, FTIR, Raman and DSC. As a consequence, small changes were observed in the functional properties of waxy wheat starch with the addition of fatty acids. Copyright © 2015 Elsevier Ltd. All rights reserved.
Deakyne, Julianna S; Malecka, Kimberly A; Messick, Troy E; Lieberman, Paul M
2017-10-01
Epstein-Barr virus (EBV) establishes a stable latent infection that can persist for the life of the host. EBNA1 is required for the replication, maintenance, and segregation of the latent episome, but the structural features of EBNA1 that confer each of these functions are not completely understood. Here, we have solved the X-ray crystal structure of an EBNA1 DNA-binding domain (DBD) and discovered a novel hexameric ring oligomeric form. The oligomeric interface pivoted around residue T585 as a joint that links and stabilizes higher-order EBNA1 complexes. Substitution mutations around the interface destabilized higher-order complex formation and altered the cooperative DNA-binding properties of EBNA1. Mutations had both positive and negative effects on EBNA1-dependent DNA replication and episome maintenance with OriP. We found that one naturally occurring polymorphism in the oligomer interface (T585P) had greater cooperative DNA binding in vitro , minor defects in DNA replication, and pronounced defects in episome maintenance. The T585P mutant was compromised for binding to OriP in vivo as well as for assembling the origin recognition complex subunit 2 (ORC2) and trimethylated histone 3 lysine 4 (H3K4me3) at OriP. The T585P mutant was also compromised for forming stable subnuclear foci in living cells. These findings reveal a novel oligomeric structure of EBNA1 with an interface subject to naturally occurring polymorphisms that modulate EBNA1 functional properties. We propose that EBNA1 dimers can assemble into higher-order oligomeric structures important for diverse functions of EBNA1. IMPORTANCE Epstein-Barr virus is a human gammaherpesvirus that is causally associated with various cancers. Carcinogenic properties are linked to the ability of the virus to persist in the latent form for the lifetime of the host. EBNA1 is a sequence-specific DNA-binding protein that is consistently expressed in EBV tumors and is the only viral protein required to maintain the viral
Directory of Open Access Journals (Sweden)
Jaime Alberto Echeverri Arias
2009-07-01
Full Text Available La eliminación del ruido impulsivo es un problema clásico del procesado no lineal para el mejoramiento de imágenes y las funciones de base radial de soporte global son útiles para enfrentarlo. Este trabajo presenta una técnica de interpolación que disminuye eficientemente el ruido impulsivo en imágenes, mediante el uso de interpolante obtenido por funciones de base radial en el marco de la investigación enfocada en el desarrollo de un Sistema de recuperación de imágenes de recursos acuáticos amazónicos. Esta técnica primero etiqueta los píxeles de la imagen que son ruidosos y, mediante la interpolación, genera un valor de reconstrucción de dicho píxel usando sus vecinos. Los resultados obtenidos son comparables y muchas veces mejores que otras técnicas ya publicadas y reconocidas. Según el análisis de resultados, se puede aplicar a imágenes con altas tasas de ruido, manteniendo un bajo error de reconstrucción de los píxeles "ruidosos", así como la calidad visual.Global support radial base functions are effective in eliminating impulsive noise in non-linear processing. This paper introduces an interpolation technique which efficiently reduces image impulsive noise by means of an interpolant obtained through radial base functions. These functions have been used in a research project designed to develop a system for the recovery of images of Amazonian aquatic resources. This technique starts with the tagging by interpolation of noisy image pixels. Thus, a value of reconstruction for the noisy pixels is generated using neighboring pixels. The results obtained with this technique have proved comparable and often better than those obtained with previously known techniques. According to results analysis, this technique can be successfully applied on images with high noise levels. The results are low error in noisy pixel reconstruction and better visual quality.
Czech Academy of Sciences Publication Activity Database
Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.
2011-01-01
Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011
Models for randomly distributed nanoscopic domains on spherical vesicles
Anghel, Vinicius N. P.; Bolmatov, Dima; Katsaras, John
2018-06-01
The existence of lipid domains in the plasma membrane of biological systems has proven controversial, primarily due to their nanoscopic size—a length scale difficult to interrogate with most commonly used experimental techniques. Scattering techniques have recently proven capable of studying nanoscopic lipid domains populating spherical vesicles. However, the development of analytical methods able of predicting and analyzing domain pair correlations from such experiments has not kept pace. Here, we developed models for the random distribution of monodisperse, circular nanoscopic domains averaged on the surface of a spherical vesicle. Specifically, the models take into account (i) intradomain correlations corresponding to form factors and interdomain correlations corresponding to pair distribution functions, and (ii) the analytical computation of interdomain correlations for cases of two and three domains on a spherical vesicle. In the case of more than three domains, these correlations are treated either by Monte Carlo simulations or by spherical analogs of the Ornstein-Zernike and Percus-Yevick (PY) equations. Importantly, the spherical analog of the PY equation works best in the case of nanoscopic size domains, a length scale that is mostly inaccessible by experimental approaches such as, for example, fluorescent techniques and optical microscopies. The analytical form factors and structure factors of nanoscopic domains populating a spherical vesicle provide a new and important framework for the quantitative analysis of experimental data from commonly studied phase-separated vesicles used in a wide range of biophysical studies.
Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo
2014-01-01
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929
International Nuclear Information System (INIS)
Ono, M.; Peng, M.; Kessel, C.; Neumeyer, C.; Schmidt, J.; Chrzanowski, J.; Darrow, D.; Grisham, L.; Heitzenroeder, P.; Jarboe, T.; Jun, C.; Kaye, S.; Menard, J.; Raman, R.; Stevenson, T.; Viola, M.; Wilson, J.; Woolley, R.; Zatz, I.
2003-01-01
A spherical torus (ST) fusion energy development path which is complementary to proposed tokamak burning plasma experiments such as ITER is described. The ST strategy focuses on a compact Component Test Facility (CTF) and higher performance advanced regimes leading to more attractive DEMO and Power Plant scale reactors. To provide the physics basis for the CTF an intermediate step needs to be taken which we refer to as the ''Next Step Spherical Torus'' (NSST) device and examine in some detail herein. NSST is a ''performance extension'' (PE) stage ST with the plasma current of 5-10 MA, R = 1.5 m, and Beta(sub)T less than or equal to 2.7 T with flexible physics capability. The mission of NSST is to: (1) provide a sufficient physics basis for the design of CTF, (2) explore advanced operating scenarios with high bootstrap current fraction/high performance regimes, which can then be utilized by CTF, DEMO, and Power Plants, and (3) contribute to the general plasma/fusion science of high beta toroidal plasmas. The NSST facility is designed to utilize the Tokamak Fusion Test Reactor (or similar) site to minimize the cost and time required for the design and construction
Valdes, Felipe; Andriulli, Francesco P.; Cools, Kristof; Michielssen, Eric
2011-01-01
A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.
Valdes, Felipe
2011-04-01
A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.
The overlapped radial basis function-finite difference (RBF-FD) method: A generalization of RBF-FD
Shankar, Varun
2017-08-01
We present a generalization of the RBF-FD method that computes RBF-FD weights in finite-sized neighborhoods around the centers of RBF-FD stencils by introducing an overlap parameter δ ∈ (0 , 1 ] such that δ = 1 recovers the standard RBF-FD method and δ = 0 results in a full decoupling of stencils. We provide experimental evidence to support this generalization, and develop an automatic stabilization procedure based on local Lebesgue functions for the stable selection of stencil weights over a wide range of δ values. We provide an a priori estimate for the speedup of our method over RBF-FD that serves as a good predictor for the true speedup. We apply our method to parabolic partial differential equations with time-dependent inhomogeneous boundary conditions - Neumann in 2D, and Dirichlet in 3D. Our results show that our method can achieve as high as a 60× speedup in 3D over existing RBF-FD methods in the task of forming differentiation matrices.
de Lima, Andrea Cristina; de Azevedo Neto, Raymundo Machado; Teixeira, Luis Augusto
2010-10-01
In order to evaluate the effects of uncertainty about direction of mechanical perturbation and supra-postural task constraint on postural control, young adults had their upright stance perturbed while holding a tray in a horizontal position. Stance was perturbed by moving forward or backward a supporting platform, contrasting situations of certainty versus uncertainty of direction of displacement. Increased constraint on postural stability was imposed by a supra-postural task of equilibrating a cylinder on the tray. Performance was assessed through EMG of anterior leg muscles, angular displacement of the main joints involved in the postural reactions and displacement of the tray. Results showed that both certainty on the direction of perturbation and increased supra-postural task constraint led to decreased angular displacement of the knee and the hip. Furthermore, combination of certainty and high supra-postural task constraint produced shorter latency of muscular activation. Such postural responses were paralleled by decreased displacement of the tray. These results suggest a functional integration between the tasks, with central set priming reactive postural responses from contextual cues and increased stability demand. Copyright © 2010 Elsevier B.V. All rights reserved.
Canonical quantization of static spherically symmetric geometries
International Nuclear Information System (INIS)
Christodoulakis, T; Dimakis, N; Terzis, P A; Doulis, G; Grammenos, Th; Melas, E; Spanou, A
2013-01-01
The conditional symmetries of the reduced Einstein–Hilbert action emerging from a static, spherically symmetric geometry are used as supplementary conditions on the wave function. Based on their integrability conditions, only one of the three existing symmetries can be consistently imposed, while the unique Casimir invariant, being the product of the remaining two symmetries, is calculated as the only possible second condition on the wave function. This quadratic integral of motion is identified with the reparametrization generator, as an implication of the uniqueness of the dynamical evolution, by fixing a suitable parametrization of the r-lapse function. In this parametrization, the determinant of the supermetric plays the role of the mesure. The combined Wheeler – DeWitt and linear conditional symmetry equations are analytically solved. The solutions obtained depend on the product of the two ''scale factors''
Directory of Open Access Journals (Sweden)
Takayoshi Matsuda
Full Text Available Growing numbers of therapeutic antibodies offer excellent treatment strategies for many diseases. Elucidation of the interaction between a potential therapeutic antibody and its target protein by structural analysis reveals the mechanism of action and offers useful information for developing rational antibody designs for improved affinity. Here, we developed a rapid, high-yield cell-free system using dialysis mode to synthesize antibody fragments for the structural analysis of antibody-antigen complexes. Optimal synthesis conditions of fragments (Fv and Fab of the anti-EGFR antibody 059-152 were rapidly determined in a day by using a 30-μl-scale unit. The concentration of supplemented disulfide isomerase, DsbC, was critical to obtaining soluble antibody fragments. The optimal conditions were directly applicable to a 9-ml-scale reaction, with linear scalable yields of more than 1 mg/ml. Analyses of purified 059-152-Fv and Fab showed that the cell-free synthesized antibody fragments were disulfide-bridged, with antigen binding activity comparable to that of clinical antibodies. Examination of the crystal structure of cell-free synthesized 059-152-Fv in complex with the extracellular domain of human EGFR revealed that the epitope of 059-152-Fv broadly covers the EGF binding surface on domain III, including residues that formed critical hydrogen bonds with EGF (Asp355EGFR, Gln384EGFR, H409EGFR, and Lys465EGFR, so that the antibody inhibited EGFR activation. We further demonstrated the application of the cell-free system to site-specific integration of non-natural amino acids for antibody engineering, which would expand the availability of therapeutic antibodies based on structural information and rational design. This cell-free system could be an ideal antibody-fragment production platform for functional and structural analysis of potential therapeutic antibodies and for engineered antibody development.
Directory of Open Access Journals (Sweden)
Armand Krasniqi
2015-07-01
Full Text Available Legal regulation of market mechanisms and the implementation of economic policies for a fair competition in TEs is a challenging issue. The competition is a complex economic phenomenon that is manifested and characterized by the strength and content that gives to the market economy. In Kosovo specific economic entities, in one way or another, are tempted to gain as much buyers or markets and create much more profits. The problem is connected with the irregularity. Such behavior and unfair actions are not only damaging the image of the country but are a serious threat the harmonious development of the national economy and the country’s accession process to the EU. The parliament of Kosovo established the Kosovo Competition Authority as an independent institution with special competences to control and fight this negative phenomenon. Based to official data it turns out that the effectiveness of this institution is not only incomplete but also non-functional. This is because of the “ignorance” and non-adequate treatment that is reserved for this authority by the parliamentary and governmental institutions. All this because the members are not elected based to regular procedures and not allocating the necessary financial means to operate. At least so far, the Kosovo Competition Authority was not allowed to hire professionals with clear competences to act and investigate the negative phenomenon of unfair competition. Certainly, this situation does not guarantee effective implementation of laws and quality protection of competition. Therefore, the mobilization of parliamentary and governmental levels is needed to enhance professional capacities and increase their competence in scope of the investigation including cooperation with prosecutors and courts. These actions should be reconsidered with the aim of creating a competitive safe environment for all operators. To conclude, the loyal competition policies and legislative framework should be
Miladinovich, D.; Datta-Barua, S.; Bust, G. S.; Ramirez, U.
2017-12-01
Understanding physical processes during storm time in the ionosphere-thermosphere (IT) system is limited, in part, due to the inability to obtain accurate estimates of IT states on a global scale. One reason for this inability is the sparsity of spatially distributed high quality data sets. Data assimilation is showing promise toward enabling global estimates by blending high quality observational data sets with established climate models. We are continuing development of an algorithm called Estimating Model Parameters for Ionospheric Reverse Engineering (EMPIRE) to enable assimilation of global datasets for storm time estimates of IT drivers. EMPIRE is a data assimilation algorithm that uses a Kalman filtering routine to ingest model and observational data. The EMPIRE algorithm is based on spherical harmonics which provide a spherically symmetric, smooth, continuous, and orthonormal set of basis functions suitable for a spherical domain such as Earth's IT region (200-600 km altitude). Once the basis function coefficients are determined, the newly fitted function represents the disagreement between observational measurements and models. We apply spherical harmonics to study the March 17, 2015 storm. Data sources include Fabry-Perot interferometer neutral wind measurements and global Ionospheric Data Assimilation 4 Dimensional (IDA4D) assimilated total electron content (TEC). Models include Weimer 2000 electric potential, International Geomagnetic Reference Field (IGRF) magnetic field, and Horizontal Wind Model 2014 (HWM14) neutral winds. We present the EMPIRE assimilation results of Earth's electric potential and thermospheric winds. We also compare EMPIRE storm time E cross B ion drift estimates to measured drifts produced from the Super Dual Auroral Radar Network (SuperDARN) and Active Magnetosphere and Planetary Electrodynamics Response Experiment (AMPERE) measurement datasets. The analysis from these results will enable the generation of globally assimilated
Developement of Spherical Polyurethane Beads
Institute of Scientific and Technical Information of China (English)
K. Maeda; H. Ohmori; H. Gyotoku
2005-01-01
@@ 1Results and Discussion We established a new method to produce the spherical polyurethane beads which have narrower distribution of particle size. This narrower distribution was achieved by the polyurethane prepolymer which contains ketimine as a blocked chain-extending agent. Firstly, the prepolymer is dispersed into the aqueous solution containing surfactant. Secondaly, water comes into the inside of prepolymer as oil phase. Thirdly, ketimine is hydrolyzed to amine, and amine reacts with prepolymer immediately to be polyurethane.Our spherical polyurethane beads are very suitable for automotive interior parts especially for instrument panel cover sheet producing under the slush molding method, because of good process ability, excellent durability to the sunlight and mechanical properties at low temperature. See Fig. 1 ,Fig. 2 and Fig. 3 (Page 820).
Contractions of affine spherical varieties
International Nuclear Information System (INIS)
Arzhantsev, I V
1999-01-01
The language of filtrations and contractions is used to describe the class of G-varieties obtainable as the total spaces of the construction of contraction applied to affine spherical varieties, which is well-known in invariant theory. These varieties are local models for arbitrary affine G-varieties of complexity 1 with a one-dimensional categorical quotient. As examples, reductive algebraic semigroups and three-dimensional SL 2 -varieties are considered
Spherical subsystem of galactic radiosources
Energy Technology Data Exchange (ETDEWEB)
Gorshkov, A G; Popov, M V [Moskovskij Gosudarstvennyj Univ. (USSR). Gosudarstvennyj Astronomicheskij Inst. ' ' GAISh' '
1975-05-01
The concentration of statistically complete sampling radiosources of the Ohiof scanning with plane spectra towards the Galaxy centre has been discovered. Quantitative calculations have showed that the sources form a spheric subsystem, which is close in parameters to such old formations in the Galaxy as globular clusters and the RRLsub(YR) type stars. The luminosity of the galaxy spheric subsystem object equals 10/sup 33/ erg/sec, the total number of objects being 7000. The existence of such a subsystem explains s the anomalously by low incline of statistics lgN-lgS in HF scanning PKS (..gamma..-2700Mgz) and the Michigan University scanning (..gamma..=8000Mgz) because the sources of galaxy spheric subsystem make up a considerable share in the total number of sources, especially at high frequencies (50% of sources with a flux greater than a unit of flux per 8000Mgz). It is very probable that the given subsystem consists of the representatives of one of the following class of objects: a) heat sources - the H2H regions with T=10/sup 40/K, Nsub(e)=10/sup 3/, l=1 ps b) supermass black holes with mass M/Mo approximately 10/sup 5/.
Burnett, Gregory Clell
1999-10-01
The definition, use, and physiological basis of Glottal Electromagnetic Micropower Sensors (GEMS) is presented. These sensors are a new type of low power (excitation function for the human vocal tract. For the first time, an excitation function may be calculated in near real time using a noninvasive procedure. Several experiments and models are presented to demonstrate that the GEMS signal is representative of the motion of the subglottal posterior wall of the trachea as it vibrates in response to the pressure changes caused by the folds as they modulate the airflow supplied by the lungs. The vibrational properties of the tracheal wall are modeled using a lumped-element circuit model. Taking the output of the vocal tract to be the audio pressure captured by a microphone and the input to be the subglottal pressure, the transfer function of the vocal tract (including the nasal cavities) can be approximated every 10-30 milliseconds using an autoregressive moving-average model. Unlike the currently utilized method of transfer function approximation, this new method only involves noninvasive GEMS measurements and digital signal processing and does not demand the difficult task of obtaining precise physical measurements of the tract and subsequent estimation of the transfer function using its cross-sectional area. The ability to measure the physical motion of the trachea enables a significant number of potential applications, ranging from very accurate pitch detection to speech synthesis, speaker verification, and speech recognition.
Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.
2017-05-01
We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.
Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko
2018-04-01
Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.
Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar
2018-06-01
The present study aims at predicting and optimizing exergetic efficiency of TiO2-Al2O3/water nanofluid at different Reynolds numbers, volume fractions and twisted ratios using Artificial Neural Networks (ANN) and experimental data. Central Composite Design (CCD) and cascade Radial Basis Function (RBF) were used to display the significant levels of the analyzed factors on the exergetic efficiency. The size of TiO2-Al2O3/water nanocomposite was 20-70 nm. The parameters of ANN model were adapted by a training algorithm of radial basis function (RBF) with a wide range of experimental data set. Total mean square error and correlation coefficient were used to evaluate the results which the best result was obtained from double layer perceptron neural network with 30 neurons in which total Mean Square Error(MSE) and correlation coefficient (R2) were equal to 0.002 and 0.999, respectively. This indicated successful prediction of the network. Moreover, the proposed equation for predicting exergetic efficiency was extremely successful. According to the optimal curves, the optimum designing parameters of double pipe heat exchanger with inner twisted tape and nanofluid under the constrains of exergetic efficiency 0.937 are found to be Reynolds number 2500, twisted ratio 2.5 and volume fraction( v/v%) 0.05.
Chiral pion dynamics for spherical nucleon bags
International Nuclear Information System (INIS)
Vento, V.; Rho, M.; Nyman, E.M.; Jun, J.H.; Brown, G.E.; CEA Centre d'Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette
1980-01-01
A chirally symmetric quark-bag model for the nucleon is obtained by introducing an explicit, classical, pion field exterior to the bag. The coupling at the bag surface is determined by the requirement of a conserved axial-vector current. The pion field satisfies equations of motion corresponding to the non-linear sigma-model. We study on this paper the simplified case where the bag and the pion field are spherically symmetric. Corrections due to gluon exchange between the quarks are ignored along with other interactions which split the N- and Δ-masses. The equations of motion for the pion field are solved and we find a substantial pion pressure at the bag surface, along with an attractive contribution to the nucleon self-energy. The total energy of the system, bag plus meson cloud, turns out to be approximately Msub(n)c 2 for a wide range of bag radii, from 1.5 fm down to about 0.5 fm. Introduction of a form factor for the pion would extend the range of possible radii to even smaller values. We propose that the bag with the smallest allowed radius be identified with the 'little bag' discussed before. One surprising result of the paper is that as long as one restricts to spherically symmetric bags, restoring chiral symmetry to the bag model makes the axial-vector current coupling constant gsub(A) to be always too large compared with the experimental value for any bag radius, suggesting a deviation from spherical symmetry for the intrinsic bag wave functions of the 'ground-state' hadrons. (orig.)
Laser Pulse Heating of Spherical Metal Particles
Directory of Open Access Journals (Sweden)
Michael I. Tribelsky
2011-12-01
Full Text Available We consider the general problem of laser pulse heating of spherical metal particles with the sizes ranging from nanometers to millimeters. We employ the exact Mie solution of the diffraction problem and solve the heat-transfer equation to determine the maximum temperature rise at the particle surface as a function of optical and thermometric parameters of the problem. Primary attention is paid to the case when the thermal diffusivity of the particle is much larger than that of the environment, as it is in the case of metal particles in fluids. We show that, in this case, for any given duration of the laser pulse, the maximum temperature rise as a function of the particle size reaches a maximum at a certain finite size of the particle. We suggest simple approximate analytical expressions for this dependence, which cover the entire parameter range of the problem and agree well with direct numerical simulations.
International Nuclear Information System (INIS)
R.J. Garrett
2002-01-01
As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities
Energy Technology Data Exchange (ETDEWEB)
R.J. Garrett
2002-01-14
As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities.
Molecular basis of neural function
International Nuclear Information System (INIS)
Tucek, S.; Stipek, S.; Stastny, F.; Krivanek, J.
1986-01-01
The conference proceedings contain abstracts of plenary lectures, of young neurochemists' ESN honorary lectures, lectures at symposia and workshops and poster communications. Twenty abstracts were inputted in INIS. The subject of these were the use of autoradiography for the determination of receptors, cholecystokinin, nicotine, adrenaline, glutamate, aspartate, tranquilizers, for distribution and pharmacokinetics of obidoxime-chloride, for cell proliferation, mitosis of brain cells, DNA repair; radioimmunoassay of cholinesterase, tyrosinase; positron computed tomography of the brain; biological radiation effects on cholinesterase activity; tracer techniques for determination of adrenaline; and studies of the biological repair of nerves. (J.P.)
The inverse spatial Laplacian of spherically symmetric spacetimes
International Nuclear Information System (INIS)
Fernandes, Karan; Lahiri, Amitabha
2017-01-01
We derive the inverse spatial Laplacian for static, spherically symmetric backgrounds by solving Poisson’s equation for a point source. This is different from the electrostatic Green function, which is defined on the four dimensional static spacetime, while the equation we consider is defined on the spatial hypersurface of such spacetimes. This Green function is relevant in the Hamiltonian dynamics of theories defined on spherically symmetric backgrounds, and closed form expressions for the solutions we find are absent in the literature. We derive an expression in terms of elementary functions for the Schwarzschild spacetime, and comment on the relation of this solution with the known Green function of the spacetime Laplacian operator. We also find an expression for the Green function on the static pure de-Sitter space in terms of hypergeometric functions. We conclude with a discussion of the constraints of the electromagnetic field. (paper)
Kruse, Holger; Grimme, Stefan
2012-04-21
A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model
Kruse, Holger; Grimme, Stefan
2012-04-01
A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model
Development of the α-decay theory of spherical nuclei by means of the shell model
International Nuclear Information System (INIS)
Holan, S.
1978-01-01
The new results achieved within the α-decay theory of spherical nuclei with a (2)-(5) integral formula, unaffected by arbitrary parameters, taking into account the finite shape of the α particle and using a basis of Woods-Saxon uniparticle functions to describe initial and final nuclei, may be summarized as follows: Through α-width calculations performed for many spherical nuclei it has been proved that experimental classifying of α-transition into favoured and unfavoured transitions as well as the hyperfine structure of the transitions can be theoretically explained if considered the nucleon-nucleon correlations in the description of initial and final nuclei; The absolute values of the theoretical α-widths obtained are about 10 2 times smaller compared to the experimental ones. This might be due to an oversimplified approximation of the α-particle-daughter nucleus interaction potential or either to an inaccuracy of the model functions used in describing nucleus decay in the surface area. (author)
Spheroidal corrections to the spherical and parabolic bases of the hydrogen atom
International Nuclear Information System (INIS)
Mardyan, L.G.; Pogosyan, G.S.; Sisakyan, A.N.
1986-01-01
This paper introduces the bases of the hydrogen atom and obtains recursion relations that determine the expansion of the spheroidal basis with respect to its parabolic basis. The leading spheroidal corrections to the spherical and parabolic bases are calculated by perturbation theory
A Spherical Aerial Terrestrial Robot
Dudley, Christopher J.
This thesis focuses on the design of a novel, ultra-lightweight spherical aerial terrestrial robot (ATR). The ATR has the ability to fly through the air or roll on the ground, for applications that include search and rescue, mapping, surveillance, environmental sensing, and entertainment. The design centers around a micro-quadcopter encased in a lightweight spherical exoskeleton that can rotate about the quadcopter. The spherical exoskeleton offers agile ground locomotion while maintaining characteristics of a basic aerial robot in flying mode. A model of the system dynamics for both modes of locomotion is presented and utilized in simulations to generate potential trajectories for aerial and terrestrial locomotion. Details of the quadcopter and exoskeleton design and fabrication are discussed, including the robot's turning characteristic over ground and the spring-steel exoskeleton with carbon fiber axle. The capabilities of the ATR are experimentally tested and are in good agreement with model-simulated performance. An energy analysis is presented to validate the overall efficiency of the robot in both modes of locomotion. Experimentally-supported estimates show that the ATR can roll along the ground for over 12 minutes and cover the distance of 1.7 km, or it can fly for 4.82 minutes and travel 469 m, on a single 350 mAh battery. Compared to a traditional flying-only robot, the ATR traveling over the same distance in rolling mode is 2.63-times more efficient, and in flying mode the system is only 39 percent less efficient. Experimental results also demonstrate the ATR's transition from rolling to flying mode.
Avian influenza a virus budding morphology: spherical or filamentous?
Most strains of influenza A virus (IAV) can produce long (µm length) filamentous virus particles as well as ~100 nm diameter spherical virions. The function of the filamentous particles is unclear but is hypothesized to facilitate transmission within or from the respiratory tract. In mammalian IAVs,...
Cooperative effects in spherical spasers
DEFF Research Database (Denmark)
Bordo, Vladimir
2017-01-01
A fully analytical semiclassical theory of cooperative optical processes which occur in an ensemble of molecules embedded in a spherical core-shell nanoparticle is developed from first principles. Both the plasmonic Dicke effect and spaser generation are investigated for the designs in which...... a shell/core contains an arbitrarily large number of active molecules in the vicinity of a metallic core/shell. An essential aspect of the theory is an ab initio account of the feedback from the core/shell boundaries which significantly modifies the molecular dynamics. The theory provides rigorous, albeit...
Spherical bodies of constant width
Lassak, Marek; Musielak, Michał
2018-01-01
The intersection $L$ of two different non-opposite hemispheres $G$ and $H$ of a $d$-dimensional sphere $S^d$ is called a lune. By the thickness of $L$ we mean the distance of the centers of the $(d-1)$-dimensional hemispheres bounding $L$. For a hemisphere $G$ supporting a %spherical convex body $C \\subset S^d$ we define ${\\rm width}_G(C)$ as the thickness of the narrowest lune or lunes of the form $G \\cap H$ containing $C$. If ${\\rm width}_G(C) =w$ for every hemisphere $G$ supporting $C$, we...
International Nuclear Information System (INIS)
Ionescu-Pallas, N.; Vlad, V.I.
1999-01-01
The spectrum of black body radiation at the absolute temperature T, in an ideal spherical cavity of radius R, is studied. The departures from the classical predictions of Planck's theory, due to the discrete energies of the radiation quanta confined inside the cavity, depend on the adiabatic invariant RT and are significant for RT≤ 1 cm K. Special attention was paid to evidence sudden changes in the spectrum intensities, forbidden bands of frequency, as well as major modifications of the total energy for RT≤ 1 cm K. Similar effects were present in case of a cubic cavity too. (authors)
Fei, Yang; Hu, Jian; Gao, Kun; Tu, Jianfeng; Li, Wei-Qin; Wang, Wei
2017-06-01
To construct a radical basis function (RBF) artificial neural networks (ANNs) model to predict the incidence of acute pancreatitis (AP)-induced portal vein thrombosis. The analysis included 353 patients with AP who had admitted between January 2011 and December 2015. RBF ANNs model and logistic regression model were constructed based on eleven factors relevant to AP respectively. Statistical indexes were used to evaluate the value of the prediction in two models. The predict sensitivity, specificity, positive predictive value, negative predictive value and accuracy by RBF ANNs model for PVT were 73.3%, 91.4%, 68.8%, 93.0% and 87.7%, respectively. There were significant differences between the RBF ANNs and logistic regression models in these parameters (Plogistic regression model. D-dimer, AMY, Hct and PT were important prediction factors of approval for AP-induced PVT. Copyright © 2017 Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Dunaev, V.G.; Tarasov, M. V.; Povarov, P.V.
2005-01-01
Prerequisites of creating the software-hardware complex for reactor safety monitoring on the Volgodonsk NPP are analyzed and generalized. The concept of this complex is based on functions of the safety parameters presentation system. It will serve as an interface between operator and technological process and give to operator a possibility to estimate quickly the state of the safety of the nuclear power unit. The complex will be created on the basis of routine reactor monitoring and control systems intended for the WWER-1000 reactor. In addition to existing soft- and hard-wares for reactor monitoring and for analysis of technological archive, it is proposed to create and connect in parallel the new software-hardware complex which ensures calculation and presentation of generalized factors of reactor safety [ru
Lambrakos, S. G.
2018-04-01
Inverse thermal analysis of Ti-6Al-4V friction stir welds is presented that demonstrates application of a methodology using numerical-analytical basis functions and temperature-field constraint conditions. This analysis provides parametric representation of friction-stir-weld temperature histories that can be adopted as input data to computational procedures for prediction of solid-state phase transformations and mechanical response. These parameterized temperature histories can be used for inverse thermal analysis of friction stir welds having process conditions similar those considered here. Case studies are presented for inverse thermal analysis of friction stir welds that use three-dimensional constraint conditions on calculated temperature fields, which are associated with experimentally measured transformation boundaries and weld-stir-zone cross sections.
Ford, Steven J.; Deán-Ben, Xosé L.; Razansky, Daniel
2015-03-01
The fast heart rate (~7 Hz) of the mouse makes cardiac imaging and functional analysis difficult when studying mouse models of cardiovascular disease, and cannot be done truly in real-time and 3D using established imaging modalities. Optoacoustic imaging, on the other hand, provides ultra-fast imaging at up to 50 volumetric frames per second, allowing for acquisition of several frames per mouse cardiac cycle. In this study, we combined a recently-developed 3D optoacoustic imaging array with novel analytical techniques to assess cardiac function and perfusion dynamics of the mouse heart at high, 4D spatiotemporal resolution. In brief, the heart of an anesthetized mouse was imaged over a series of multiple volumetric frames. In another experiment, an intravenous bolus of indocyanine green (ICG) was injected and its distribution was subsequently imaged in the heart. Unique temporal features of the cardiac cycle and ICG distribution profiles were used to segment the heart from background and to assess cardiac function. The 3D nature of the experimental data allowed for determination of cardiac volumes at ~7-8 frames per mouse cardiac cycle, providing important cardiac function parameters (e.g., stroke volume, ejection fraction) on a beat-by-beat basis, which has been previously unachieved by any other cardiac imaging modality. Furthermore, ICG distribution dynamics allowed for the determination of pulmonary transit time and thus additional quantitative measures of cardiovascular function. This work demonstrates the potential for optoacoustic cardiac imaging and is expected to have a major contribution toward future preclinical studies of animal models of cardiovascular health and disease.
Design innovations of the next-step spherical torus experiment and spherical torus development path
International Nuclear Information System (INIS)
Ono, M.; Kessel, C.; Peng, M.
2003-01-01
The spherical torus (ST) fusion energy development path is complementary to the tokamak burning plasma experiment such as ITER as it focuses toward the compact Component Test Facility (CTF) and higher toroidal beta regimes to improve the design of DEMO and a Power Plant. To support the ST development path, one option of a Next Step Spherical Torus (NSST) device is examined. NSST is a 'performance extension' (PE) stage ST with a plasma current of 5 - 10 MA, R = 1.5, B T ≤ 2.7 T with flexible physics capability to 1) Provide a sufficient physics basis for the design of the CTF, 2) Explore advanced operating scenarios with high bootstrap current fraction/high performance regimes, which can then be utilized by CTF, DEMO, and Power Plants, 3) Contribute to the general plasma/fusion science of high β toroidal plasmas. The NSST facility is designed to utilize the TFTR site to minimize the cost and time required for the construction. (author)
Resonance energy transfer: The unified theory via vector spherical harmonics
Energy Technology Data Exchange (ETDEWEB)
Grinter, Roger, E-mail: r.grinter@uea.ac.uk; Jones, Garth A., E-mail: garth.jones@uea.ac.uk [School of Chemistry, University of East Anglia, Norwich NR4 7TJ (United Kingdom)
2016-08-21
In this work, we derive the well-established expression for the quantum amplitude associated with the resonance energy transfer (RET) process between a pair of molecules that are beyond wavefunction overlap. The novelty of this work is that the field of the mediating photon is described in terms of a spherical wave rather than a plane wave. The angular components of the field are constructed in terms of vector spherical harmonics while Hankel functions are used to define the radial component. This approach alleviates the problem of having to select physically correct solution from non-physical solutions, which seems to be inherent in plane wave derivations. The spherical coordinate system allows one to easily decompose the photon’s fields into longitudinal and transverse components and offers a natural way to analyse near-, intermediate-, and far-zone RET within the context of the relative orientation of the transition dipole moments for the two molecules.
National Spherical Torus Experiment (NSTX)
International Nuclear Information System (INIS)
Masayuki Ono
2000-01-01
The main aim of National Spherical Torus Experiment (NSTX) is to establish the fusion physics principles of the innovative spherical torus (ST) concept. Physics outcome of the NSTX research program is relevant to near-term applications such as the Volume Neutron Source (VNS) and burning plasmas, and future applications such as the pilot and power plants. The NSTX device began plasma operations in February 1999 and the plasma current was successfully ramped up to the design value of 1 million amperes (MA) on December 14, 1999. The CHI (Coaxial Helicity Injection) and HHFW (High Harmonic Fast Wave) experiments have also started. Stable CHI discharges of up to 133 kA and 130-msec duration have been produced using 20 kA of injected current. Using eight antennas connected to two transmitters, up to 2 MW of HHFW power was successfully coupled to the plasma. The Neutral-beam Injection (NBI) heating system and associated NBI-based diagnostics such as the Charge-exchange Recombination Spectrometer (CHERS) will be operational in October 2000
Casimir effect in spherical shells
International Nuclear Information System (INIS)
Ruggiero, J.R.
1985-01-01
The analytic regularization method is applied to study the Casimir effect for spherical cavities. Although many works have been presented in the past few years, problems related to the elimination of the regulator parameter still remain. A way to calculate the zero point energy of a perfectly conducting spherical shell which is a miscellaneous of those presented early is here proposed, How a cancelation of divergent terms occurs and how a finite parte is obtained after the elimination of the regulator parameter is shown. As a by-product the zero point energy of the interior vibration modes is obtained and this has some relevance to the quarks bag model. This relev ance is also discussed. The calculation of the energy fom the density view is also discussed. Some works in this field are criticized. The logarithmic divergent terms in the zero point energy are studied when the interior and exterior of the sphere are considered as a medium not dispersive and characterized by a dielectric constants ε 1 and ε 2 and peermeability constants μ 1 and μ 2 respectivelly. The logarithmic divergent terms are not present in the case of ε i μ i =K, with K some constant and i=1,2. (author) [pt
Clapp, Samuel W.
Previous studies of the perception of concert hall acoustics have generally employed two methods for soliciting listeners' judgments. One method is to have listeners rate the sound in a hall while physically present in that hall. The other method is to make recordings of different halls and seat positions, and then recreate the environment for listeners in a laboratory setting via loudspeakers or headphones. In situ evaluations offer a completely faithful rendering of all aspects of the concert hall experience. However, many variables cannot be controlled and the short duration of auditory memory precludes an objective comparison of different spaces. Simulation studies allow for more control over various aspects of the evaluations, as well as A/B comparisons of different halls and seat positions. The drawback is that all simulation methods suffer from limitations in the accuracy of reproduction. If the accuracy of the simulation system is improved, then the advantages of the simulation method can be retained, while mitigating its disadvantages. Spherical microphone array technology has received growing interest in the acoustics community in recent years for many applications including beamforming, source localization, and other forms of three-dimensional sound field analysis. These arrays can decompose a measured sound field into its spherical harmonic components, the spherical harmonics being a set of spatial basis functions on the sphere that are derived from solving the wave equation in spherical coordinates. Ambisonics is a system for two- and three-dimensional spatialized sound that is based on recreating a sound field from its spherical harmonic components. Because of these shared mathematical underpinnings, ambisonics provides a natural way to present fully spatialized renderings of recordings made with a spherical microphone array. Many of the previously studied applications of spherical microphone arrays have used a narrow frequency range where the array
Scattering of Gaussian beam by a spherical particle with a spheroidal inclusion
International Nuclear Information System (INIS)
Zhang Huayong; Liao Tongqing
2011-01-01
A generalized Lorenz-Mie theory framework (GLMT) is applied to the study of Gaussian beam scattering by a spherical particle with an embedded spheroid at the center. By virtue of a transformation between the spherical and spheroidal vector wave functions, a theoretical procedure is developed to deal with the boundary conditions. Numerical results of the normalized differential scattering cross section are presented.
DEFF Research Database (Denmark)
Lowes, F.J.; Olsen, Nils
2004-01-01
Most modern spherical harmonic geomagnetic models based on satellite data include estimates of the variances of the spherical harmonic coefficients of the model; these estimates are based on the geometry of the data and the fitting functions, and on the magnitude of the residuals. However...
Progress in octahedral spherical hohlraum study
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Ke Lan
2016-01-01
Full Text Available In this paper, we give a review of our theoretical and experimental progress in octahedral spherical hohlraum study. From our theoretical study, the octahedral spherical hohlraums with 6 Laser Entrance Holes (LEHs of octahedral symmetry have robust high symmetry during the capsule implosion at hohlraum-to-capsule radius ratio larger than 3.7. In addition, the octahedral spherical hohlraums also have potential superiority on low backscattering without supplementary technology. We studied the laser arrangement and constraints of the octahedral spherical hohlraums, and gave a design on the laser arrangement for ignition octahedral hohlraums. As a result, the injection angle of laser beams of 50°–60° was proposed as the optimum candidate range for the octahedral spherical hohlraums. We proposed a novel octahedral spherical hohlraum with cylindrical LEHs and LEH shields, in order to increase the laser coupling efficiency and improve the capsule symmetry and to mitigate the influence of the wall blowoff on laser transport. We studied on the sensitivity of the octahedral spherical hohlraums to random errors and compared the sensitivity among the octahedral spherical hohlraums, the rugby hohlraums and the cylindrical hohlraums, and the results show that the octahedral spherical hohlraums are robust to these random errors while the cylindrical hohlraums are the most sensitive. Up till to now, we have carried out three experiments on the spherical hohlraum with 2 LEHs on Shenguang(SG laser facilities, including demonstration of improving laser transport by using the cylindrical LEHs in the spherical hohlraums, spherical hohlraum energetics on the SGIII prototype laser facility, and comparisons of laser plasma instabilities between the spherical hohlraums and the cylindrical hohlraums on the SGIII laser facility.
Fluid Fuel Fluctuations in the Spherical Tank
Directory of Open Access Journals (Sweden)
H. D. Nguyen
2014-01-01
Full Text Available Many authors tried to solve a task concerning small fluctuations of the incompressible ideal liquid, which partially fills a stationary tank of any shape. There is a long list of references to this subject. The article presents a task solution on own fluctuations of liquid in spherical capacity, with boundary conditions on a free surface and a surface with a resistance – drain surface. Relevance of problem consists in assessment of influence of intra tank devices (measuring, intaking, damping devices, etc. on the liquid fuel fluctuations. The special attention is paid to finding the own values and frequencies of the equations of disturbed flow fluctuations with dissipation available on the boundary surfaces. In contrast to the previous examples, the lowering speed and the free surface area at undisturbed state are variable.The article also considers a variation formulation of the auxiliary boundary tasks. In solution of variation tasks, the attached Legendre's functions were used as coordinate functions. Further, after substitution of the variation tasks solution in the boundary conditions and the subsequent mathematical operations the characteristic equation was obtained. To obtain solutions of the cubic characteristic equation Cardano formulas were used. The article also considers the task on the own motions of liquid filling a capacity between two concentric spheres and flowing out via the intake in case there is a free surface. Reliability of the obtained numerical results is confirmed by comparison with calculation results of frequencies resulting from solutions of a task on the own fluctuations of liquid in the spherical capacity with the constant depth of liquid. All numerical calculations were performed using the Matlab environment.
International Nuclear Information System (INIS)
Gomes, Carla Regina; Canedo Medeiros, Jose Antonio Carlos
2015-01-01
Highlights: • It is presented a new method based on Artificial Neural Network (ANN) developed to deal with accident identification in PWR nuclear power plants. • Obtained results have shown the efficiency of the referred technique. • Results obtained with this method are as good as or even better to similar optimization tools available in the literature. - Abstract: The task of monitoring a nuclear power plant consists on determining, continuously and in real time, the state of the plant’s systems in such a way to give indications of abnormalities to the operators and enable them to recognize anomalies in system behavior. The monitoring is based on readings of a large number of meters and alarm indicators which are located in the main control room of the facility. On the occurrence of a transient or of an accident on the nuclear power plant, even the most experienced operators can be confronted with conflicting indications due to the interactions between the various components of the plant systems; since a disturbance of a system can cause disturbances on another plant system, thus the operator may not be able to distinguish what is cause and what is the effect. This cognitive overload, to which operators are submitted, causes a difficulty in understanding clearly the indication of an abnormality in its initial phase of development and in taking the appropriate and immediate corrective actions to face the system failure. With this in mind, computerized monitoring systems based on artificial intelligence that could help the operators to detect and diagnose these failures have been devised and have been the subject of research. Among the techniques that can be used in such development, radial basis functions (RBFs) neural networks play an important role due to the fact that they are able to provide good approximations to functions of a finite number of real variables. This paper aims to present an application of a neural network of Gaussian radial basis
Directory of Open Access Journals (Sweden)
Burennikova Nataliia V.
2018-02-01
Full Text Available The article considers the practice of using the method of discriminant analysis to study effectiveness of the processes of functioning of enterprises on the basis of indicators of the constituent parts of performance on the example of specific agricultural enterprises of the grain products subcomplex. It is underlined that when using benchmarking (as a method of competitive analysis in many cases when researching the processes of functioning and development of enterprises (in particular, agricultural there is a need to distribute the studied objects into individual groups according to the main strategic priorities. It is specified that one of the methods used for such distribution is the classic discriminant analysis, which allows to define the quantitative boundary that distinguishes the group of enterprises-leaders from all other enterprises. It has been found that the determining factor in the use of the specified method is the choice of a number of indicators characterizing the objects and processes allocated by using benchmarking. This choice, in turn, requires implementation of an appropriate algorithms based on simulation. As these indicators serve the authors’ indicators of efficiency and scale product, selected as the constituent parts of the performance indicator, characterizing any process and its results from both the qualitative and the quantitative points of view. The authors’ own approaches to the method of grouping of objects and allocation of strategically important groups among them have been proposed.
Directory of Open Access Journals (Sweden)
Zihao Yang
Full Text Available A microstructure-dependent model for the free vibration and buckling analysis of an orthotropic functionally graded micro-plate was proposed on the basis of a re-modified couple stress theory. The macro- and microscopic anisotropy were simultaneously taken into account by introducing two material length scale parameters. The material attributes were assumed to vary continuously through the thickness direction by a power law. The governing equations and corresponding boundary conditions were derived through Hamilton’s principle. The Navier method was used to calculate the natural frequencies and buckling loads of a simply supported micro-plate. The numerical results indicated that the present model predicts higher natural frequencies and critical buckling loads than the classical model, particular when the geometric size of the micro-plates is comparable to the material length scale parameters, i.e., the scale effect is well represented. The scale effect becomes more noticeable as the material length scale parameters increase, the anisotropy weaken or the power law index increases, and vice versa. Keywords: Free vibration, Buckling, Functionally graded materials, Modified couple stress theory, Scale effect
Neural Network Control for the Linear Motion of a Spherical Mobile Robot
Directory of Open Access Journals (Sweden)
Yao Cai
2011-09-01
Full Text Available This paper discussed the stabilization and position tracking control of the linear motion of an underactuated spherical robot. By considering the actuator dynamics, a complete dynamic model of the robot is deduced, which is a complex third order, two variables nonlinear differential system and those two variables have strong coupling due to the mechanical structure of the robot. Different from traditional treatments, no linearization is applied to this system but a single‐input multiple‐output PID (SIMO_PID controller is designed by adopting a six‐input single‐ output CMAC_GBF (Cerebellar Model Articulation Controller with General Basis Function neural network to compensate the actuator nonlinearity and the credit assignment (CA learning method to obtain faster convergence of CMAC_GBF. The proposed controller is generalizable to other single‐input multiple‐output system with good real‐time capability. Simulations in Matlab are used to validate the control effects.
Numerical procedure for the calculation of nonsteady spherical shock fronts with radiation
International Nuclear Information System (INIS)
Winkler, K.H.
The basis of the numerical method is an implicit difference scheme with time backward differences to a freely moving coordinate system. The coordinate system itself is determined simultaneously with the iterative solution of the physical equations as a function of the physical variables. Shock fronts, even nonsteady ones, are calculated as discontinuities according to the Rankine--Hugoniot equations. The radiation field is obtained from the two-dimensional, static, spherically symmetric transport equation in conjunction with the time-dependent one-dimensional moment equations. No artificial viscosity of any type is ever used. The applicability of the method developed is demonstrated by an example involving the calculation of protostar collapse. 11 figures
The ETE spherical Tokamak project. IAEA report
Energy Technology Data Exchange (ETDEWEB)
Ludwig, Gerson Otto; Del Bosco, E.; Berni, L.A.; Ferreira, J.G.; Oliveira, R.M.; Andrade, M.C.R.; Shibata, C.S.; Barroso, J.J.; Castro, P.J.; Patire Junior, H. [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Plasma]. E-mail: ludwig@plasma.inpe.br
2002-07-01
This paper describes the general characteristics of spherical tokamaks, or spherical tori, with a brief overview of work in this area already performed or in progress at several institutions worldwide. The paper presents also the historical development of the ETE (Spherical Tokamak Experiment) project, its research program, technical characteristics and operating conditions as of October, 2002 at the Associated Plasma Laboratory (LAP) of the National Space Research Institute (INPE) in Brazil. (author)
International Nuclear Information System (INIS)
Yu, Shiwei; Wang, Ke; Wei, Yi-Ming
2015-01-01
Highlights: • A hybrid self-adaptive PSO–GA-RBF model is proposed for electricity demand prediction. • Each mixed-coding particle is composed by two coding parts of binary and real. • Five independent variables have been selected to predict future electricity consumption in Wuhan. • The proposed model has a simpler structure or higher estimating precision than other ANN models. • No matter what the scenario, the electricity consumption of Wuhan will grow rapidly. - Abstract: The present study proposes a hybrid Particle Swarm Optimization and Genetic Algorithm optimized Radial Basis Function (PSO–GA-RBF) neural network for prediction of annual electricity demand. In the model, each mixed-coding particle (or chromosome) is composed of two coding parts, binary and real, which optimizes the structure of the RBF by GA operation and the parameters of the basis and weights by a PSO–GA implementation. Five independent variables have been selected to predict future electricity consumption in Wuhan by using optimized networks. The results shows that (1) the proposed PSO–GA-RBF model has a simpler network structure (fewer hidden neurons) or higher estimation precision than other selected ANN models; and (2) no matter what the scenario, the electricity consumption of Wuhan will grow rapidly at average annual growth rates of about 9.7–11.5%. By 2020, the electricity demand in the planning scenario, the highest among the scenarios, will be 95.85 billion kW h. The lowest demand is estimated for the business-as-usual scenario, and will be 88.45 billion kW h
Energy Technology Data Exchange (ETDEWEB)
Lee, Jae Sung; Nam, Hyun Woo; Lee, Dong Soo; Lee, Sang Kun; Jang, Myoung Jin; Ahn, Ji Young; Park, Kwang Suk; Chung, June Key; Lee, Myung Chul [Seoul National Univ., Seoul (Korea, Republic of)
2000-02-01
Episodic memory is described as an 'autobiographical' memory responsible for storing a record of the events in our lives. We performed functional brain activation study using H{sub 2}{sup 1}5O PET to reveal the neural basis of the encoding and the retrieval of episodic memory in human normal volunteers. Four repeated H{sub 2}{sup 1}5O PET scans with two reference and two activation tasks were performed on 6 normal volunteers to activate brain areas engaged in encoding and retrieval with verbal materials. Images from the same subject were spatially registered and normalized using linear and nonlinear transformation. Using the means and variances for every condition which were adjusted with analysis of covariance, t-statistic analysis were performed voxel-wise. Encoding of episodic memory activated the opercular and triangular parts of left inferior frontal gyrus, right prefrontal cortex, medial frontal area, cingulate gyrus, posterior middle and inferior temporal gyri, and cerebellum, and both primary visual and visual association areas. Retrieval of episodic memory activated the triangular part of left inferior frontal gyrus and inferior temporal gyrus, right prefrontal cortex and medial temporal ares, and both cerebellum and primary visual and visual association areas. The activations in the opercular part of left inferior frontal gyrus and the right prefrontal cortex meant the essential role of these areas in the encoding and retrieval of episodic memeory. We could localize the neural basis of the encoding and retrieval of episodic memory using H{sub 2}{sup 1}5O PET, which was partly consistent with the hypothesis of hemispheric encoding/retrieval asymmetry.
Roper, Ian P E; Besley, Nicholas A
2016-03-21
The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.
Spherical collapse in chameleon models
International Nuclear Information System (INIS)
Brax, Ph.; Rosenfeld, R.; Steer, D.A.
2010-01-01
We study the gravitational collapse of an overdensity of nonrelativistic matter under the action of gravity and a chameleon scalar field. We show that the spherical collapse model is modified by the presence of a chameleon field. In particular, we find that even though the chameleon effects can be potentially large at small scales, for a large enough initial size of the inhomogeneity the collapsing region possesses a thin shell that shields the modification of gravity induced by the chameleon field, recovering the standard gravity results. We analyse the behaviour of a collapsing shell in a cosmological setting in the presence of a thin shell and find that, in contrast to the usual case, the critical density for collapse in principle depends on the initial comoving size of the inhomogeneity
Spherical collapse in chameleon models
Energy Technology Data Exchange (ETDEWEB)
Brax, Ph. [Institut de Physique Théorique, CEA, IPhT, CNRS, URA 2306, F-91191Gif/Yvette Cedex (France); Rosenfeld, R. [Instituto de Física Teórica, Universidade Estadual Paulista, Rua Dr. Bento T. Ferraz, 271, 01140-070, São Paulo (Brazil); Steer, D.A., E-mail: brax@spht.saclay.cea.fr, E-mail: rosenfel@ift.unesp.br, E-mail: daniele.steer@apc.univ-paris7.fr [APC, UMR 7164, CNRS, Université Paris 7, 10 rue Alice Domon et Léonie Duquet, 75205 Paris Cedex 13 (France)
2010-08-01
We study the gravitational collapse of an overdensity of nonrelativistic matter under the action of gravity and a chameleon scalar field. We show that the spherical collapse model is modified by the presence of a chameleon field. In particular, we find that even though the chameleon effects can be potentially large at small scales, for a large enough initial size of the inhomogeneity the collapsing region possesses a thin shell that shields the modification of gravity induced by the chameleon field, recovering the standard gravity results. We analyse the behaviour of a collapsing shell in a cosmological setting in the presence of a thin shell and find that, in contrast to the usual case, the critical density for collapse in principle depends on the initial comoving size of the inhomogeneity.
Spherical Collapse in Chameleon Models
Brax, Ph; Steer, D A
2010-01-01
We study the gravitational collapse of an overdensity of nonrelativistic matter under the action of gravity and a chameleon scalar field. We show that the spherical collapse model is modified by the presence of a chameleon field. In particular, we find that even though the chameleon effects can be potentially large at small scales, for a large enough initial size of the inhomogeneity the collapsing region possesses a thin shell that shields the modification of gravity induced by the chameleon field, recovering the standard gravity results. We analyse the behaviour of a collapsing shell in a cosmological setting in the presence of a thin shell and find that, in contrast to the usual case, the critical density for collapse depends on the initial comoving size of the inhomogeneity.
Zernike Basis to Cartesian Transformations
Mathar, R. J.
2009-12-01
The radial polynomials of the 2D (circular) and 3D (spherical) Zernike functions are tabulated as powers of the radial distance. The reciprocal tabulation of powers of the radial distance in series of radial polynomials is also given, based on projections that take advantage of the orthogonality of the polynomials over the unit interval. They play a role in the expansion of products of the polynomials into sums, which is demonstrated by some examples. Multiplication of the polynomials by the angular bases (azimuth, polar angle) defines the Zernike functions, for which we derive transformations to and from the Cartesian coordinate system centered at the middle of the circle or sphere.
Relativistic fluids in spherically symmetric space
International Nuclear Information System (INIS)
Dipankar, R.
1977-12-01
Some of McVittie and Wiltshire's (1977) solutions of Walker's (1935) isotropy conditions for relativistic perfect fluid spheres are generalized. Solutions are spherically symmetric and conformally flat
Characterization of Rubbers from Spherical Punch - Plate Indentation Tests
Directory of Open Access Journals (Sweden)
Florina Carmen Ciornei
2016-12-01
Full Text Available Rubber plates with different compositions and hardness were tested by continuous indentation, using a spherical punch and hysteretic phenomenon was evidenced. The experimental data interpolation with polynomial functions is accurate and permits estimation of the lost work during loading cycles. The interpolation by power law functions is more convenient by using less parameters and having a form accepted in literature. From the rubbers tested, two were considered to present good damping properties.
[Depth of focus in spherical and aspheric intraocular lenses].
Nan, Li; Tang, Xin; Liu, Yong-ji
2012-02-01
To investigate depth of focus (DOF) in spherical and aspheric IOL eye models. Computer numerical simulation experiment was used. IOL eye model based on Liou-Brennan eye model was constructed by using ZEMAX optical design software. Different IOL were implanted in this eye model. Monochromatic through focus modulation transfer function (MTF) curves were computed. Pupil and aspheric designs' effect on DOF were analyzed. DOF of eye model increased with pupil shrinkage in 550 nm monochromatic light (FY60AD 1.20 D at 6 mm pupil, 1.35 D at 5 mm pupil, 1.70 D at 4 mm pupil, 2.46 D at 3 mm pupil; YA60BBR 1.24 D at 6 mm pupil, 1.48 D at 5 mm pupil, 1.80 D at 4 mm pupil, 2.50 D at 3 mm pupil). MTF in spherical IOL eye model was higher with minus defocus, this trend was obvious at larger pupil. MTF of aspheric IOL eyes were higher than spherical IOL eyes when well focused at 5 mm pupil, while the DOF was lower in aspheric IOL with negative spherical aberration (Tecnis Z9000 1.31 D, FY60AD 1.35 D, CeeOn911 1.55 D, YA60BBR 1.48 D). DOF decreased less in aspheric IOL with zero spherical aberration (LI61AO 1.42 D). DOF in IOL eye model was higher at smaller pupil. When the pupil was large, well focused aspheric IOL improved optical quality compared with spherical IOL, while DOF and the tolerance to defocus in aspheric IOL were partially lost; this phenomenon was obvious with minus defocus.
Gauthier, Robert C.; Alzahrani, Mohammed A.; Jafari, Seyed Hamed
2015-02-01
The plane wave expansion (PWM) technique applied to Maxwell's wave equations provides researchers with a supply of information regarding the optical properties of dielectric structures. The technique is well suited for structures that display a linear periodicity. When the focus is directed towards optical resonators and structures that lack linear periodicity the eigen-process can easily exceed computational resources and time constraints. In the case of dielectric structures which display cylindrical or spherical symmetry, a coordinate system specific set of basis functions have been employed to cast Maxwell's wave equations into an eigen-matrix formulation from which the resonator states associated with the dielectric profile can be obtained. As for PWM, the inverse of the dielectric and field components are expanded in the basis functions (Fourier-Fourier-Bessel, FFB, in cylindrical and Fourier- Bessel-Legendre, BLF, in spherical) and orthogonality is employed to form the matrix expressions. The theoretical development details will be presented indicating how certain mathematical complications in the process have been overcome and how the eigen-matrix can be tuned to a specific mode type. The similarities and differences in PWM, FFB and BLF are presented. In the case of structures possessing axial cylindrical symmetry, the inclusion of the z axis component of propagation constant makes the technique applicable to photonic crystal fibers and other waveguide structures. Computational results will be presented for a number of different dielectric geometries including Bragg ring resonators, cylindrical space slot channel waveguides and bottle resonators. Steps to further enhance the computation process will be reported.
Rayleigh-Taylor instability in multi-structured spherical targets
International Nuclear Information System (INIS)
Gupta, N.K.; Lawande, S.V.
1986-01-01
An eigenvalue equation for the exponential growth rate of the Rayleigh-Taylor instability is derived in spherical geometry. The free surface and jump boundary conditions are obtained from the eigenvalue equation. The eigenvalue equation is solved in the cases where the initial fluid density profile has a step function or exponential variation in space and analytical formulae for growth rate of the instability are obtained. The solutions for the step function are generalized for any number N of spherical zones forming an arbitrary fluid density profile. The results of the numerical calculations for N spherical zones are compared with the exact analytical results for exponential fluid density profile with N=10 and a good agreement is observed. The formalism is further used to study the effects of density gradients on Rayleigh-Taylor instability in spherical geometry. Also analytical formulae are presented for a particular case of N=3 and shell targets. The formalism developed here can be used to study the growth of the instability in present day multi-structured shell targets. (author)
Acoustic radiation force control: Pulsating spherical carriers.
Rajabi, Majid; Mojahed, Alireza
2018-02-01
The interaction between harmonic plane progressive acoustic beams and a pulsating spherical radiator is studied. The acoustic radiation force function exerted on the spherical body is derived as a function of the incident wave pressure and the monopole vibration characteristics (i.e., amplitude and phase) of the body. Two distinct strategies are presented in order to alter the radiation force effects (i.e., pushing and pulling states) by changing its magnitude and direction. In the first strategy, an incident wave field with known amplitude and phase is considered. It is analytically shown that the zero- radiation force state (i.e., radiation force function cancellation) is achievable for specific pulsation characteristics belong to a frequency-dependent straight line equation in the plane of real-imaginary components (i.e., Nyquist Plane) of prescribed surface displacement. It is illustrated that these characteristic lines divide the mentioned displacement plane into two regions of positive (i.e., pushing) and negative (i.e., pulling) radiation forces. In the second strategy, the zero, negative and positive states of radiation force are obtained through adjusting the incident wave field characteristics (i.e., amplitude and phase) which insonifies the radiator with prescribed pulsation characteristics. It is proved that zero radiation force state occurs for incident wave pressure characteristics belong to specific frequency-dependent circles in Nyquist plane of incident wave pressure. These characteristic circles divide the Nyquist plane into two distinct regions corresponding to positive (out of circles) and negative (in the circles) values of radiation force function. It is analytically shown that the maximum amplitude of negative radiation force is exactly equal to the amplitude of the (positive) radiation force exerted upon the sphere in the passive state, by the same incident field. The developed concepts are much more deepened by considering the required
Enhancement of octupole strength in near spherical nuclei
Energy Technology Data Exchange (ETDEWEB)
Robledo, L.M. [Universidad Autonoma de Madrid, Dep. Fisica Teorica, Facultad de Ciencias, Madrid (Spain)
2016-09-15
The validity of the rotational formula used to compute E1 and E3 transition strengths in even-even nuclei is analyzed within the Generator Coordinate Method framework based on mean field wave functions. It turns out that those nuclei with spherical or near spherical shapes the E1 and E3 strengths computed with this formula are strongly underestimated and a sound evaluation of them requires angular-momentum projected wave functions. Results for several isotopic chains with proton number equal to or near magic numbers are analyzed and compared with experimental data. The use of angular-momentum projected wave functions greatly improves the agreement with the scarce experimental data. (orig.)
Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J
2015-01-01
In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron.
Jiang, Junjun; Hu, Ruimin; Han, Zhen; Wang, Zhongyuan; Chen, Jun
2013-10-01
Face superresolution (SR), or face hallucination, refers to the technique of generating a high-resolution (HR) face image from a low-resolution (LR) one with the help of a set of training examples. It aims at transcending the limitations of electronic imaging systems. Applications of face SR include video surveillance, in which the individual of interest is often far from cameras. A two-step method is proposed to infer a high-quality and HR face image from a low-quality and LR observation. First, we establish the nonlinear relationship between LR face images and HR ones, according to radial basis function and partial least squares (RBF-PLS) regression, to transform the LR face into the global face space. Then, a locality-induced sparse representation (LiSR) approach is presented to enhance the local facial details once all the global faces for each LR training face are constructed. A comparison of some state-of-the-art SR methods shows the superiority of the proposed two-step approach, RBF-PLS global face regression followed by LiSR-based local patch reconstruction. Experiments also demonstrate the effectiveness under both simulation conditions and some real conditions.
Directory of Open Access Journals (Sweden)
Nan YU
2014-09-01
Full Text Available The interference signal in magneto-hydro-dynamics (MHD may be the disturbance from the power supply, the equipment itself, or the electromagnetic radiation. Interference signal mixed in normal signal, brings difficulties for signal analysis and processing. Recently proposed S-Transform algorithm combines advantages of short time Fourier transform and wavelet transform. It uses Fourier kernel and wavelet like Gauss window whose width is inversely proportional to the frequency. Therefore, S-Transform algorithm not only preserves the phase information of the signals but also has variable resolution like wavelet transform. This paper proposes a new method to establish a MHD signal classifier using S-transform algorithm and radial basis function neural network (RBFNN. Because RBFNN centers ascertained by k-means clustering algorithm probably are the local optimum, this paper analyzes the characteristics of k-means clustering algorithm and proposes an improved k-means clustering algorithm called GCW (Group-cluster-weight k-means clustering algorithm to improve the centers distribution. The experiment results show that the improvement greatly enhances the RBFNN performance.
Chanthawara, Krittidej; Kaennakham, Sayan; Toutip, Wattana
2016-02-01
The methodology of Dual Reciprocity Boundary Element Method (DRBEM) is applied to the convection-diffusion problems and investigating its performance is our first objective of the work. Seven types of Radial Basis Functions (RBF); Linear, Thin-plate Spline, Cubic, Compactly Supported, Inverse Multiquadric, Quadratic, and that proposed by [12], were closely investigated in order to numerically compare their effectiveness drawbacks etc. and this is taken as our second objective. A sufficient number of simulations were performed covering as many aspects as possible. Varidated against both exacts and other numerical works, the final results imply strongly that the Thin-Plate Spline and Linear type of RBF are superior to others in terms of both solutions' quality and CPU-time spent while the Inverse Multiquadric seems to poorly yield the results. It is also found that DRBEM can perform relatively well at moderate level of convective force and as anticipated becomes unstable when the problem becomes more convective-dominated, as normally found in all classical mesh-dependence methods.
Talebpour, Zahra; Tavallaie, Roya; Ahmadi, Seyyed Hamid; Abdollahpour, Assem
2010-09-01
In this study, a new method for the simultaneous determination of penicillin G salts in pharmaceutical mixture via FT-IR spectroscopy combined with chemometrics was investigated. The mixture of penicillin G salts is a complex system due to similar analytical characteristics of components. Partial least squares (PLS) and radial basis function-partial least squares (RBF-PLS) were used to develop the linear and nonlinear relation between spectra and components, respectively. The orthogonal signal correction (OSC) preprocessing method was used to correct unexpected information, such as spectral overlapping and scattering effects. In order to compare the influence of OSC on PLS and RBF-PLS models, the optimal linear (PLS) and nonlinear (RBF-PLS) models based on conventional and OSC preprocessed spectra were established and compared. The obtained results demonstrated that OSC clearly enhanced the performance of both RBF-PLS and PLS calibration models. Also in the case of some nonlinear relation between spectra and component, OSC-RBF-PLS gave satisfactory results than OSC-PLS model which indicated that the OSC was helpful to remove extrinsic deviations from linearity without elimination of nonlinear information related to component. The chemometric models were tested on an external dataset and finally applied to the analysis commercialized injection product of penicillin G salts.
Nourani, Vahid; Mousavi, Shahram; Dabrowska, Dominika; Sadikoglu, Fahreddin
2017-05-01
As an innovation, both black box and physical-based models were incorporated into simulating groundwater flow and contaminant transport. Time series of groundwater level (GL) and chloride concentration (CC) observed at different piezometers of study plain were firstly de-noised by the wavelet-based de-noising approach. The effect of de-noised data on the performance of artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) was evaluated. Wavelet transform coherence was employed for spatial clustering of piezometers. Then for each cluster, ANN and ANFIS models were trained to predict GL and CC values. Finally, considering the predicted water heads of piezometers as interior conditions, the radial basis function as a meshless method which solves partial differential equations of GFCT, was used to estimate GL and CC values at any point within the plain where there is not any piezometer. Results indicated that efficiency of ANFIS based spatiotemporal model was more than ANN based model up to 13%.
International Nuclear Information System (INIS)
Wu Xue-Dong; Liu Wei-Ting; Zhu Zhi-Yu; Wang Yao-Nan
2011-01-01
On the assumption that random interruptions in the observation process are modeled by a sequence of independent Bernoulli random variables, we firstly generalize two kinds of nonlinear filtering methods with random interruption failures in the observation based on the extended Kalman filtering (EKF) and the unscented Kalman filtering (UKF), which were shortened as GEKF and GUKF in this paper, respectively. Then the nonlinear filtering model is established by using the radial basis function neural network (RBFNN) prototypes and the network weights as state equation and the output of RBFNN to present the observation equation. Finally, we take the filtering problem under missing observed data as a special case of nonlinear filtering with random intermittent failures by setting each missing data to be zero without needing to pre-estimate the missing data, and use the GEKF-based RBFNN and the GUKF-based RBFNN to predict the ground radioactivity time series with missing data. Experimental results demonstrate that the prediction results of GUKF-based RBFNN accord well with the real ground radioactivity time series while the prediction results of GEKF-based RBFNN are divergent. (geophysics, astronomy, and astrophysics)
Ramírez-Solís, A; Zicovich-Wilson, C M; Hernández-Lamoneda, R; Ochoa-Calle, A J
2017-01-25
The question of the non-magnetic (NM) vs. antiferromagnetic (AF) nature of the ε phase of solid oxygen is a matter of great interest and continuing debate. In particular, it has been proposed that the ε phase is actually composed of two phases, a low-pressure AF ε 1 phase and a higher pressure NM ε 0 phase [Crespo et al., Proc. Natl. Acad. Sci. U. S. A., 2014, 111, 10427]. We address this problem through periodic spin-restricted and spin-polarized Kohn-Sham density functional theory calculations at pressures from 10 to 50 GPa using calibrated GGA and hybrid exchange-correlation functionals with Gaussian atomic basis sets. The two possible configurations for the antiferromagnetic (AF1 and AF2) coupling of the 0 ≤ S ≤ 1 O 2 molecules in the (O 2 ) 4 unit cell were studied. Full enthalpy-driven geometry optimizations of the (O 2 ) 4 unit cells were done to study the pressure evolution of the enthalpy difference between the non-magnetic and both antiferromagnetic structures. We also address the evolution of structural parameters and the spin-per-molecule vs. pressure. We find that the spin-less solution becomes more stable than both AF structures above 50 GPa and, crucially, the spin-less solution yields lattice parameters in much better agreement with experimental data at all pressures than the AF structures. The optimized AF2 broken-symmetry structures lead to large errors of the a and b lattice parameters when compared with experiments. The results for the NM model are in much better agreement with the experimental data than those found for both AF models and are consistent with a completely non-magnetic (O 2 ) 4 unit cell for the low-pressure regime of the ε phase.
Stability of the spherical form of nuclei
International Nuclear Information System (INIS)
Sabry, A.A.
1976-08-01
An extension of the mass formula for a spherical nucleus in the drop model to include a largely deformed nucleus of different forms is investigated. It is found that although the spherical form is stable under small deformations from equilibrium, there exists for heavier nuclei another more favourable stable form, which can be approximated by two, or three touching prolate ellipsoids of revolution
How Spherical Is a Cube (Gravitationally)?
Sanny, Jeff; Smith, David
2015-01-01
An important concept that is presented in the discussion of Newton's law of universal gravitation is that the gravitational effect external to a spherically symmetric mass distribution is the same as if all of the mass of the distribution were concentrated at the center. By integrating over ring elements of a spherical shell, we show that the…
Spherical Approximation on Unit Sphere
Directory of Open Access Journals (Sweden)
Eman Samir Bhaya
2018-01-01
Full Text Available In this paper we introduce a Jackson type theorem for functions in LP spaces on sphere And study on best approximation of functions in spaces defined on unit sphere. our central problem is to describe the approximation behavior of functions in spaces for by modulus of smoothness of functions.
On the divergence of triangular and eccentric spherical sums of double Fourier series
Energy Technology Data Exchange (ETDEWEB)
Karagulyan, G A [Institute of Mathematics, National Academy of Sciences of Armenia, Yerevan (Armenia)
2016-01-31
We construct a continuous function on the torus with almost everywhere divergent triangular sums of double Fourier series. We also prove an analogous theorem for eccentric spherical sums. Bibliography: 14 titles.
On the divergence of triangular and eccentric spherical sums of double Fourier series
International Nuclear Information System (INIS)
Karagulyan, G A
2016-01-01
We construct a continuous function on the torus with almost everywhere divergent triangular sums of double Fourier series. We also prove an analogous theorem for eccentric spherical sums. Bibliography: 14 titles
Beig, Robert; Siddiqui, Azad A.
2007-11-01
It is known that spherically symmetric static spacetimes admit a foliation by flat hypersurfaces. Such foliations have explicitly been constructed for some spacetimes, using different approaches, but none of them have proved or even discussed the uniqueness of these foliations. The issue of uniqueness becomes more important due to suitability of flat foliations for studying black hole physics. Here, flat spherically symmetric spacelike hypersurfaces are obtained by a direct method. It is found that spherically symmetric static spacetimes admit flat spherically symmetric hypersurfaces, and that these hypersurfaces are unique up to translation under the timelike Killing vector. This result guarantees the uniqueness of flat spherically symmetric foliations for such spacetimes.
Linearized vector radiative transfer model MCC++ for a spherical atmosphere
International Nuclear Information System (INIS)
Postylyakov, O.V.
2004-01-01
Application of radiative transfer models has shown that optical remote sensing requires extra characteristics of radiance field in addition to the radiance intensity itself. Simulation of spectral measurements, analysis of retrieval errors and development of retrieval algorithms are in need of derivatives of radiance with respect to atmospheric constituents under investigation. The presented vector spherical radiative transfer model MCC++ was linearized, which allows the calculation of derivatives of all elements of the Stokes vector with respect to the volume absorption coefficient simultaneously with radiance calculation. The model MCC++ employs Monte Carlo algorithm for radiative transfer simulation and takes into account aerosol and molecular scattering, gas and aerosol absorption, and Lambertian surface albedo. The model treats a spherically symmetrical atmosphere. Relation of the estimated derivatives with other forms of radiance derivatives: the weighting functions used in gas retrieval and the air mass factors used in the DOAS retrieval algorithms, is obtained. Validation of the model against other radiative models is overviewed. The computing time of the intensity for the MCC++ model is about that for radiative models treating sphericity of the atmosphere approximately and is significantly shorter than that for the full spherical models used in the comparisons. The simultaneous calculation of all derivatives (i.e. with respect to absorption in all model atmosphere layers) and the intensity is only 1.2-2 times longer than the calculation of the intensity only
The Fatigue Life Prediction of Train Wheel Rims Containing Spherical Inclusions
Li, Yajie; Chen, Huanguo; Cai, Li; Chen, Pei; Qian, Jiacheng; Wu, Jianwei
2018-03-01
It is a common phenomenon that fatigue crack initiation occurs frequently in the inclusions of wheel rims. Research on the fatigue life of wheel rims with spherical inclusions is of great significance on the reliability of wheels. To find the danger point and working condition of a wheel, the stress state of the wheel rim with spherical inclusions was analyzed using the finite element method. Results revealed that curve conditions are dangerous. The critical plane method, based on the cumulative fatigue damage theory, was used to predict the fatigue life of the wheel rim and whether it contained spherical inclusions or not under curve conditions. It was found that the fatigue life of the wheel rim is significantly shorter when the wheel rim contains spherical inclusions. Analysis of the results can provide a theoretical basis and technical support for train operations and maintenance.
International Nuclear Information System (INIS)
Lee, Jae-Kon; Kim, Jin-Gon
2011-01-01
A governing differential equation for predicting the effective thermal conductivity of composites with spherical inclusions is shown to be simply derived by using the result of the generalized self-consistent model. By applying the equation to composites including spherical inclusions such as graded spherical inclusions, microballoons, mutiply-coated spheres, and spherical inclusions with an interphase, their effective thermal conductivities are easily predicted. The results are compared with those in the literatures to be consistent. It can be stated from the investigations that the effective thermal conductivity of composites with spherical inclusions can be estimated as long as their conductivities are expressed as a function of their radius. -- Highlights: → We derive equation for predicting the effective thermal conductivity of composites. → The equation is derived using the results of the generalized self-consistent model. → The inclusions are graded sphere, microballoons, and mutiply-coated spheres.
Hyper-spherical harmonics and anharmonics in m-dimensional space
International Nuclear Information System (INIS)
Shojaei, M.R.; Rajabi, A.A.; Hasanabadi, H.
2008-01-01
In quantum mechanics the hyper-spherical method is one of the most well-established and successful computational tools. The general theory of harmonic polynomials and hyper-spherical harmonics is of central importance in this paper. The interaction potential V is assumed to depend on the hyper-radius ρ only where ρ is the function of the Jacobi relative coordinate x 1 , x 2 ,…, x n which are functions of the particles' relative positions. (author)
Spherical harmonic expansion of short-range screened Coulomb interactions
Energy Technology Data Exchange (ETDEWEB)
Angyan, Janos G [Laboratoire de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques, UMR 7036, CNRS-Universite Henri Poincare, BP 239, F-54506 Vandoeuvre-les-Nancy (France); Gerber, Iann [Laboratoire de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques, UMR 7036, CNRS-Universite Henri Poincare, BP 239, F-54506 Vandoeuvre-les-Nancy (France); Marsman, Martijn [Institut fuer Materialphysik and Center for Computational Materials Science, Universitaet Wien, Sensengasse 8, A-1090, Vienna (Austria)
2006-07-07
Spherical harmonic expansions of the screened Coulomb interaction kernel involving the complementary error function are required in various problems in atomic, molecular and solid state physics, like for the evaluation of Ewald-type lattice sums or for range-separated hybrid density functionals. A general analytical expression is derived for the kernel, which is non-separable in the radial variables. With the help of series expansions a separable approximate form is proposed, which is in close analogy with the conventional multipole expansion of the Coulomb kernel in spherical harmonics. The convergence behaviour of these expansions is studied and illustrated by the electrostatic potential of an elementary charge distribution formed by products of Slater-type atomic orbitals.
Directory of Open Access Journals (Sweden)
Feng Aiguo
2016-06-01
Full Text Available Taking Camellia oleifera seeds as raw materials, this study explored extraction and purification of glycoprotein separated from Camellia seeds as well as its antitumor activity, aiming to provide a theoretical basis for the economic development of Camellia oleifera industry. Key impact factors of Camellia seed glycoprotein were extracted using buffer solution method and water extraction method and a regression model was set up. Methyl thiazolyl tetrazolium was used to evaluate the in vitro antitumor activity of glycoprotein extracted from Camellia seeds and Differential Scanning Calorimetry (DSC was used to measure its denaturation enthalpy value. Results indicated that protein and sugar yields were 8.96% and 17.05% respectively under optimal conditions when water extraction method was used. Crude glycoprotein extracted from Camellia oleifera had a certain inhibitory effect on human hepatoma cell HepG2, gastric cancer cell MGC-803 and breast cancer cell MCF-7 and crude glycoprotein extracted from Camellia oleifera by water-extraction and alcohol-precipitation method had a strong antitumor effect. Crude glycoprotein obtained in the two different ways was capable of scavenging DPPH, •OH and O2g- free radicals and also showed good reducing capacity. DSC measurement results revealed that specific rotation of COGP2a[α]n20${\\rm{COGP}}2{\\rm{a}}\\left[ \\alpha \\right]_n^{20} $ was - 32.5. Antitumor experiment in vitro showed that glycoprotein extracted from Camellia seeds in the two different ways had a certain inhibitory effect on HepG2, MGC-803 and MCF-7, which has important theoretical and realistic significances to promoting utilization value of camellia resources, strengthening Camellia oleifera’s comprehensive development and utilization of high added value as well as enriching types and functions of active glycoprotein.
Baasch, B.; M"uller, H.; von Dobeneck, T.
2018-04-01
In this work we present a new methodology to predict grain-size distributions from geophysical data. Specifically, electric conductivity and magnetic susceptibility of seafloor sediments recovered from electromagnetic profiling data are used to predict grain-size distributions along shelf-wide survey lines. Field data from the NW Iberian shelf are investigated and reveal a strong relation between the electromagnetic properties and grain-size distribution. The here presented workflow combines unsupervised and supervised machine learning techniques. Nonnegative matrix factorisation is used to determine grain-size end-members from sediment surface samples. Four end-members were found which well represent the variety of sediments in the study area. A radial-basis function network modified for prediction of compositional data is then used to estimate the abundances of these end-members from the electromagnetic properties. The end-members together with their predicted abundances are finally back transformed to grain-size distributions. A minimum spatial variation constraint is implemented in the training of the network to avoid overfitting and to respect the spatial distribution of sediment patterns. The predicted models are tested via leave-one-out cross-validation revealing high prediction accuracy with coefficients of determination (R2) between 0.76 and 0.89. The predicted grain-size distributions represent the well-known sediment facies and patterns on the NW Iberian shelf and provide new insights into their distribution, transition and dynamics. This study suggests that electromagnetic benthic profiling in combination with machine learning techniques is a powerful tool to estimate grain-size distribution of marine sediments.
Roshani, G H; Karami, A; Salehizadeh, A; Nazemi, E
2017-11-01
The problem of how to precisely measure the volume fractions of oil-gas-water mixtures in a pipeline remains as one of the main challenges in the petroleum industry. This paper reports the capability of Radial Basis Function (RBF) in forecasting the volume fractions in a gas-oil-water multiphase system. Indeed, in the present research, the volume fractions in the annular three-phase flow are measured based on a dual energy metering system including the 152 Eu and 137 Cs and one NaI detector, and then modeled by a RBF model. Since the summation of volume fractions are constant (equal to 100%), therefore it is enough for the RBF model to forecast only two volume fractions. In this investigation, three RBF models are employed. The first model is used to forecast the oil and water volume fractions. The next one is utilized to forecast the water and gas volume fractions, and the last one to forecast the gas and oil volume fractions. In the next stage, the numerical data obtained from MCNP-X code must be introduced to the RBF models. Then, the average errors of these three models are calculated and compared. The model which has the least error is picked up as the best predictive model. Based on the results, the best RBF model, forecasts the oil and water volume fractions with the mean relative error of less than 0.5%, which indicates that the RBF model introduced in this study ensures an effective enough mechanism to forecast the results. Copyright © 2017 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Blanco, M.; Heller, E.J.
1985-01-01
A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the molecule. Although semiclassical input is employed, the method becomes ab initio through the standard matrix diagonalization variational method. Special attention is given to classical-quantum correspondences for angular momentum. In particular, it is shown that the use of semiclassical information preferentially leads to angular momentum eigenstates with magnetic quantum number Vertical BarMVertical Bar equal to the total angular momentum J. The present method offers a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable
Energy Technology Data Exchange (ETDEWEB)
Werhahn, Johannes
2009-07-01
the basis of decision trees. A computer model was created for the mass-specific cost forecast and complemented by a function for assembly costs. The model was successfully applied and validated as part of work on various fuel cell systems. The work showed that the production costs of a fuel cell system can be determined with little effort, good modelling accuracy and high degree of detail by applying modified mass-specific cost forecasting. However, there is a restriction on applications in the light mass range. Apart from the dominant costs of the catalyst and the membrane, system components such as the pumps, compressors, heat exchangers and batteries are responsible for a large proportion of the production costs. (orig.)
MISR Dark Water aerosol retrievals: operational algorithm sensitivity to particle non-sphericity
Directory of Open Access Journals (Sweden)
O. V. Kalashnikova
2013-08-01
Full Text Available The aim of this study is to theoretically investigate the sensitivity of the Multi-angle Imaging SpectroRadiometer (MISR operational (version 22 Dark Water retrieval algorithm to aerosol non-sphericity over the global oceans under actual observing conditions, accounting for current algorithm assumptions. Non-spherical (dust aerosol models, which were introduced in version 16 of the MISR aerosol product, improved the quality and coverage of retrievals in dusty regions. Due to the sensitivity of the retrieval to the presence of non-spherical aerosols, the MISR aerosol product has been successfully used to track the location and evolution of mineral dust plumes from the Sahara across the Atlantic, for example. However, the MISR global non-spherical aerosol optical depth (AOD fraction product has been found to have several climatological artifacts superimposed on valid detections of mineral dust, including high non-spherical fraction in the Southern Ocean and seasonally variable bands of high non-sphericity. In this paper we introduce a formal approach to examine the ability of the operational MISR Dark Water algorithm to distinguish among various spherical and non-spherical particles as a function of the variable MISR viewing geometry. We demonstrate the following under the criteria currently implemented: (1 Dark Water retrieval sensitivity to particle non-sphericity decreases for AOD below about 0.1 primarily due to an unnecessarily large lower bound imposed on the uncertainty in MISR observations at low light levels, and improves when this lower bound is removed; (2 Dark Water retrievals are able to distinguish between the spherical and non-spherical particles currently used for all MISR viewing geometries when the AOD exceeds 0.1; (3 the sensitivity of the MISR retrievals to aerosol non-sphericity varies in a complex way that depends on the sampling of the scattering phase function and the contribution from multiple scattering; and (4 non-sphericity
Averaging in spherically symmetric cosmology
International Nuclear Information System (INIS)
Coley, A. A.; Pelavas, N.
2007-01-01
The averaging problem in cosmology is of fundamental importance. When applied to study cosmological evolution, the theory of macroscopic gravity (MG) can be regarded as a long-distance modification of general relativity. In the MG approach to the averaging problem in cosmology, the Einstein field equations on cosmological scales are modified by appropriate gravitational correlation terms. We study the averaging problem within the class of spherically symmetric cosmological models. That is, we shall take the microscopic equations and effect the averaging procedure to determine the precise form of the correlation tensor in this case. In particular, by working in volume-preserving coordinates, we calculate the form of the correlation tensor under some reasonable assumptions on the form for the inhomogeneous gravitational field and matter distribution. We find that the correlation tensor in a Friedmann-Lemaitre-Robertson-Walker (FLRW) background must be of the form of a spatial curvature. Inhomogeneities and spatial averaging, through this spatial curvature correction term, can have a very significant dynamical effect on the dynamics of the Universe and cosmological observations; in particular, we discuss whether spatial averaging might lead to a more conservative explanation of the observed acceleration of the Universe (without the introduction of exotic dark matter fields). We also find that the correlation tensor for a non-FLRW background can be interpreted as the sum of a spatial curvature and an anisotropic fluid. This may lead to interesting effects of averaging on astrophysical scales. We also discuss the results of averaging an inhomogeneous Lemaitre-Tolman-Bondi solution as well as calculations of linear perturbations (that is, the backreaction) in an FLRW background, which support the main conclusions of the analysis
Effect of Fresnel Reflectivity in a Spherical Turbid Medium
Elghazaly, A
2003-01-01
Radiative transfer problem for anisotropic scattering in a spherical homogeneous, turbid medium with angular dependent (specular) reflecting boundary is solved using the pomraning-Eddington approximation method. The angular dependent reflectivity of the boundary is considered as Fresnel's reflection probability function. The partial heat flux is calculated with anisotropic scattering through a homogeneous solid sphere. our results are compared with the available data and give an excellent agreement.
Effect of Fresnel Reflectivity in a Spherical Turbid Medium
International Nuclear Information System (INIS)
Elghazaly, A.; Attia, M.T.
2003-01-01
Radiative transfer problem for anisotropic scattering in a spherical homogeneous, turbid medium with angular dependent (specular) reflecting boundary is solved using the pomraning-Eddington approximation method. The angular dependent reflectivity of the boundary is considered as Fresnel's reflection probability function. The partial heat flux is calculated with anisotropic scattering through a homogeneous solid sphere. our results are compared with the available data and give an excellent agreement
The spherical harmonics method, 1 (general development of the theory)
International Nuclear Information System (INIS)
Mark, C.
1957-02-01
A method of obtaining approximate solutions of the transport equation is presented in a form applicable in principle to any geometry. The approximation will give good results in cases where the angular distribution is not very anisotropic. The basis of the approximation is to expand the density per unit solid angle Ψ(→/r, →/Ω) in spherical harmonic tensors formed from →/Ω the unit vector in the direction of velocity, and to break off the expansion. A differential equation whose degree increases with the order of the approximation is obtained for the total density Ψ (o) (r). This equation has the form where the numbers ν i depend on the order of the approximation and on the value of the parameter a of the medium, but not at all on the geometry. When the equation for the total density is an ordinary equation, we simulate the physical condition of continuity of Ψ(→/r, →/Ω) at a boundary in a multi-medium problem by requiring that the spherical harmonic moments of Ψ(→/r, →/Ω) which we retain be continuous; and this determines the constants in the solution for Ψ (o) (→/r. The form of the solution for the total density and the necessary moments in an approximation of general order is given explicitly for plane and spherical symmetry; and for cylindrical symmetry the solution is given for two low-order approximations. In a later report (CRT-338, Revised) the application of the method to several problems involving plane and spherical symmetry will be discussed in detail and the results of a number of examples already worked will also be given. (author)