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Sample records for ii approximation methods

  1. Quantal density functional theory II. Approximation methods and applications

    International Nuclear Information System (INIS)

    Sahni, Viraht

    2010-01-01

    This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy -- the Correlation-Kinetic effects -- are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces. (orig.)

  2. Modified method of perturbed stationary states. II. Semiclassical and low-velocity quantal approximations

    International Nuclear Information System (INIS)

    Green, T.A.

    1978-10-01

    For one-electron heteropolar systems, the wave-theoretic Lagrangian of Paper I 2 is simplified in two distinct approximations. The first is semiclassical; the second is quantal, for velocities below those for which the semiclassical treatment is reliable. For each approximation, unitarity and detailed balancing are discussed. Then, the variational method as described by Demkov is used to determine the coupled equations for the radial functions and the Euler-Lagrange equations for the translational factors which are part of the theory. Specific semiclassical formulae for the translational factors are given in a many-state approximation. Low-velocity quantal formulae are obtained in a one-state approximation. The one-state results of both approximations agree with an earlier determination by Riley. 14 references

  3. Comparison of approximate methods for multiple scattering in high-energy collisions. II

    International Nuclear Information System (INIS)

    Nolan, A.M.; Tobocman, W.; Werby, M.F.

    1976-01-01

    The scattering in one dimension of a particle by a target of N like particles in a bound state has been studied. The exact result for the transmission probability has been compared with the predictions of the Glauber theory, the Watson optical potential model, and the adiabatic (or fixed scatterer) approximation. The approximate methods optical potential model is second best. The Watson method is found to work better when the kinematics suggested by Foldy and Walecka are used rather than that suggested by Watson, that is to say, when the two-body of the nucleon-nucleon reduced mass

  4. Approximation methods in probability theory

    CERN Document Server

    Čekanavičius, Vydas

    2016-01-01

    This book presents a wide range of well-known and less common methods used for estimating the accuracy of probabilistic approximations, including the Esseen type inversion formulas, the Stein method as well as the methods of convolutions and triangle function. Emphasising the correct usage of the methods presented, each step required for the proofs is examined in detail. As a result, this textbook provides valuable tools for proving approximation theorems. While Approximation Methods in Probability Theory will appeal to everyone interested in limit theorems of probability theory, the book is particularly aimed at graduate students who have completed a standard intermediate course in probability theory. Furthermore, experienced researchers wanting to enlarge their toolkit will also find this book useful.

  5. Approximate error conjugation gradient minimization methods

    Science.gov (United States)

    Kallman, Jeffrey S

    2013-05-21

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

  6. Saddlepoint approximation methods in financial engineering

    CERN Document Server

    Kwok, Yue Kuen

    2018-01-01

    This book summarizes recent advances in applying saddlepoint approximation methods to financial engineering. It addresses pricing exotic financial derivatives and calculating risk contributions to Value-at-Risk and Expected Shortfall in credit portfolios under various default correlation models. These standard problems involve the computation of tail probabilities and tail expectations of the corresponding underlying state variables.  The text offers in a single source most of the saddlepoint approximation results in financial engineering, with different sets of ready-to-use approximation formulas. Much of this material may otherwise only be found in original research publications. The exposition and style are made rigorous by providing formal proofs of most of the results. Starting with a presentation of the derivation of a variety of saddlepoint approximation formulas in different contexts, this book will help new researchers to learn the fine technicalities of the topic. It will also be valuable to quanti...

  7. Approximate solution methods in engineering mechanics

    International Nuclear Information System (INIS)

    Boresi, A.P.; Cong, K.P.

    1991-01-01

    This is a short book of 147 pages including references and sometimes bibliographies at the end of each chapter, and subject and author indices at the end of the book. The test includes an introduction of 3 pages, 29 pages explaining approximate analysis, 41 pages on finite differences, 36 pages on finite elements, and 17 pages on specialized methods

  8. PWL approximation of nonlinear dynamical systems, part II: identification issues

    International Nuclear Information System (INIS)

    De Feo, O; Storace, M

    2005-01-01

    This paper and its companion address the problem of the approximation/identification of nonlinear dynamical systems depending on parameters, with a view to their circuit implementation. The proposed method is based on a piecewise-linear approximation technique. In particular, this paper describes a black-box identification method based on state space reconstruction and PWL approximation, and applies it to some particularly significant dynamical systems (two topological normal forms and the Colpitts oscillator)

  9. Approximate estimation method of the degree of lanthanide tetr[ effect and application to the tetr[ effects in lanthanide ionic r[ii

    International Nuclear Information System (INIS)

    Minami, M.

    1998-01-01

    Fitting of qu[ratic curves to four defined subgroups of lanthanides shows that the tetr[ effects in Ln 3+ ionic r[ii with coordination number (CN) 6 are larger than those with CN 8. The features for the first tetr[ are peculiar compared with other three subgroups, with both CN. The observed facts can be explained in terms of configuration of 4f electron clouds and their interaction with ligands. (orig.)

  10. Self-consistent approximations beyond the CPA: Part II

    International Nuclear Information System (INIS)

    Kaplan, T.; Gray, L.J.

    1982-01-01

    This paper concentrates on a self-consistent approximation for random alloys developed by Kaplan, Leath, Gray, and Diehl. The construction of the augmented space formalism for a binary alloy is sketched, and the notation to be used derived. Using the operator methods of the augmented space, the self-consistent approximation is derived for the average Green's function, and for evaluating the self-energy, taking into account the scattering by clusters of excitations. The particular cluster approximation desired is derived by treating the scattering by the excitations with S /SUB T/ exactly. Fourier transforms on the disorder-space clustersite labels solve the self-consistent set of equations. Expansion to short range order in the alloy is also discussed. A method to reduce the problem to a computationally tractable form is described

  11. Methods of Fourier analysis and approximation theory

    CERN Document Server

    Tikhonov, Sergey

    2016-01-01

    Different facets of interplay between harmonic analysis and approximation theory are covered in this volume. The topics included are Fourier analysis, function spaces, optimization theory, partial differential equations, and their links to modern developments in the approximation theory. The articles of this collection were originated from two events. The first event took place during the 9th ISAAC Congress in Krakow, Poland, 5th-9th August 2013, at the section “Approximation Theory and Fourier Analysis”. The second event was the conference on Fourier Analysis and Approximation Theory in the Centre de Recerca Matemàtica (CRM), Barcelona, during 4th-8th November 2013, organized by the editors of this volume. All articles selected to be part of this collection were carefully reviewed.

  12. ANALYTIC APPROXIMATION OF CARBON CONDENSATION ISSUES IN TYPE II SUPERNOVAE

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, Donald D., E-mail: claydonald@gmail.com [Department of Physics and Astronomy, Clemson University, Clemson, SC (United States)

    2013-01-01

    I present analytic approximations for some issues related to condensation of graphite, TiC, and silicon carbide in oxygen-rich cores of supernovae of Type II. Increased understanding, which mathematical analysis can support, renders researchers more receptive to condensation in O-rich supernova gases. Taking SN 1987A as typical, my first analysis shows why the abundance of CO molecules reaches an early maximum in which free carbon remains more abundant than CO. This analysis clarifies why O-rich gas cannot oxidize C if {sup 56}Co radioactivity is as strong as in SN 1987A. My next analysis shows that the CO abundance could be regarded as being in chemical equilibrium if the CO molecule is given an effective binding energy rather than its laboratory dissociation energy. The effective binding energy makes the thermal dissociation rate of CO equal to its radioactive dissociation rate. This preserves possible relevance for the concept of chemical equilibrium. My next analysis shows that the observed abundances of CO and SiO molecules in SN 1987A rule out frequent suggestions that equilibrium condensation of SUNOCONs has occurred following atomic mixing of the He-burning shell with more central zones in such a way as to reproduce roughly the observed spectrum of isotopes in SUNOCONs while preserving C/O > 1. He atoms admixed along with the excess carbon would destroy CO and SiO molecules, leaving their observed abundances unexplained. The final analysis argues that a chemical quasiequilibrium among grains (but not gas) may exist approximately during condensation, so that its computational use is partially justified as a guide to which mineral phases would be stable against reactions with gas. I illustrate this point with quasiequilibrium calculations by Ebel and Grossman that have shown that graphite is stable even when O/C >1 if prominent molecules are justifiably excluded from the calculation of chemical equilibrium.

  13. Shape theory categorical methods of approximation

    CERN Document Server

    Cordier, J M

    2008-01-01

    This in-depth treatment uses shape theory as a ""case study"" to illustrate situations common to many areas of mathematics, including the use of archetypal models as a basis for systems of approximations. It offers students a unified and consolidated presentation of extensive research from category theory, shape theory, and the study of topological algebras.A short introduction to geometric shape explains specifics of the construction of the shape category and relates it to an abstract definition of shape theory. Upon returning to the geometric base, the text considers simplical complexes and

  14. Augmenting Ordinal Methods of Attribute Weight Approximation

    DEFF Research Database (Denmark)

    Daneilson, Mats; Ekenberg, Love; He, Ying

    2014-01-01

    of the obstacles and methods for introducing so-called surrogate weights have proliferated in the form of ordinal ranking methods for criteria weights. Considering the decision quality, one main problem is that the input information allowed in ordinal methods is sometimes too restricted. At the same time, decision...... makers often possess more background information, for example, regarding the relative strengths of the criteria, and might want to use that. We propose combined methods for facilitating the elicitation process and show how this provides a way to use partial information from the strength of preference...

  15. Approximate methods for derivation of covariance data

    International Nuclear Information System (INIS)

    Tagesen, S.

    1992-01-01

    Several approaches for the derivation of covariance information for evaluated nuclear data files (EFF2 and ENDF/B-VI) have been developed and used at IRK and ORNL respectively. Considerations, governing the choice of a distinct method depending on the quantity and quality of available data are presented, advantages/disadvantages are discussed and examples of results are given

  16. A simple approximation method for dilute Ising systems

    International Nuclear Information System (INIS)

    Saber, M.

    1996-10-01

    We describe a simple approximate method to analyze dilute Ising systems. The method takes into consideration the fluctuations of the effective field, and is based on a probability distribution of random variables which correctly accounts for all the single site kinematic relations. It is shown that the simplest approximation gives satisfactory results when compared with other methods. (author). 12 refs, 2 tabs

  17. An outer approximation method for the road network design problem.

    Science.gov (United States)

    Asadi Bagloee, Saeed; Sarvi, Majid

    2018-01-01

    Best investment in the road infrastructure or the network design is perceived as a fundamental and benchmark problem in transportation. Given a set of candidate road projects with associated costs, finding the best subset with respect to a limited budget is known as a bilevel Discrete Network Design Problem (DNDP) of NP-hard computationally complexity. We engage with the complexity with a hybrid exact-heuristic methodology based on a two-stage relaxation as follows: (i) the bilevel feature is relaxed to a single-level problem by taking the network performance function of the upper level into the user equilibrium traffic assignment problem (UE-TAP) in the lower level as a constraint. It results in a mixed-integer nonlinear programming (MINLP) problem which is then solved using the Outer Approximation (OA) algorithm (ii) we further relax the multi-commodity UE-TAP to a single-commodity MILP problem, that is, the multiple OD pairs are aggregated to a single OD pair. This methodology has two main advantages: (i) the method is proven to be highly efficient to solve the DNDP for a large-sized network of Winnipeg, Canada. The results suggest that within a limited number of iterations (as termination criterion), global optimum solutions are quickly reached in most of the cases; otherwise, good solutions (close to global optimum solutions) are found in early iterations. Comparative analysis of the networks of Gao and Sioux-Falls shows that for such a non-exact method the global optimum solutions are found in fewer iterations than those found in some analytically exact algorithms in the literature. (ii) Integration of the objective function among the constraints provides a commensurate capability to tackle the multi-objective (or multi-criteria) DNDP as well.

  18. Nonlinear ordinary differential equations analytical approximation and numerical methods

    CERN Document Server

    Hermann, Martin

    2016-01-01

    The book discusses the solutions to nonlinear ordinary differential equations (ODEs) using analytical and numerical approximation methods. Recently, analytical approximation methods have been largely used in solving linear and nonlinear lower-order ODEs. It also discusses using these methods to solve some strong nonlinear ODEs. There are two chapters devoted to solving nonlinear ODEs using numerical methods, as in practice high-dimensional systems of nonlinear ODEs that cannot be solved by analytical approximate methods are common. Moreover, it studies analytical and numerical techniques for the treatment of parameter-depending ODEs. The book explains various methods for solving nonlinear-oscillator and structural-system problems, including the energy balance method, harmonic balance method, amplitude frequency formulation, variational iteration method, homotopy perturbation method, iteration perturbation method, homotopy analysis method, simple and multiple shooting method, and the nonlinear stabilized march...

  19. Approximate inverse preconditioning of iterative methods for nonsymmetric linear systems

    Energy Technology Data Exchange (ETDEWEB)

    Benzi, M. [Universita di Bologna (Italy); Tuma, M. [Inst. of Computer Sciences, Prague (Czech Republic)

    1996-12-31

    A method for computing an incomplete factorization of the inverse of a nonsymmetric matrix A is presented. The resulting factorized sparse approximate inverse is used as a preconditioner in the iterative solution of Ax = b by Krylov subspace methods.

  20. Approximate Method for Solving the Linear Fuzzy Delay Differential Equations

    Directory of Open Access Journals (Sweden)

    S. Narayanamoorthy

    2015-01-01

    Full Text Available We propose an algorithm of the approximate method to solve linear fuzzy delay differential equations using Adomian decomposition method. The detailed algorithm of the approach is provided. The approximate solution is compared with the exact solution to confirm the validity and efficiency of the method to handle linear fuzzy delay differential equation. To show this proper features of this proposed method, numerical example is illustrated.

  1. Approximate analytical methods for solving ordinary differential equations

    CERN Document Server

    Radhika, TSL; Rani, T Raja

    2015-01-01

    Approximate Analytical Methods for Solving Ordinary Differential Equations (ODEs) is the first book to present all of the available approximate methods for solving ODEs, eliminating the need to wade through multiple books and articles. It covers both well-established techniques and recently developed procedures, including the classical series solution method, diverse perturbation methods, pioneering asymptotic methods, and the latest homotopy methods.The book is suitable not only for mathematicians and engineers but also for biologists, physicists, and economists. It gives a complete descripti

  2. Variational, projection methods and Pade approximants in scattering theory

    International Nuclear Information System (INIS)

    Turchetti, G.

    1980-12-01

    Several aspects on the scattering theory are discussed in a perturbative scheme. The Pade approximant method plays an important role in such a scheme. Solitons solutions are also discussed in this same scheme. (L.C.) [pt

  3. Tau method approximation of the Hubbell rectangular source integral

    International Nuclear Information System (INIS)

    Kalla, S.L.; Khajah, H.G.

    2000-01-01

    The Tau method is applied to obtain expansions, in terms of Chebyshev polynomials, which approximate the Hubbell rectangular source integral:I(a,b)=∫ b 0 (1/(√(1+x 2 )) arctan(a/(√(1+x 2 )))) This integral corresponds to the response of an omni-directional radiation detector situated over a corner of a plane isotropic rectangular source. A discussion of the error in the Tau method approximation follows

  4. Improvement of Tone's method with two-term rational approximation

    International Nuclear Information System (INIS)

    Yamamoto, Akio; Endo, Tomohiro; Chiba, Go

    2011-01-01

    An improvement of Tone's method, which is a resonance calculation method based on the equivalence theory, is proposed. In order to increase calculation accuracy, the two-term rational approximation is incorporated for the representation of neutron flux. Furthermore, some theoretical aspects of Tone's method, i.e., its inherent approximation and choice of adequate multigroup cross section for collision probability estimation, are also discussed. The validity of improved Tone's method is confirmed through a verification calculation in an irregular lattice geometry, which represents part of an LWR fuel assembly. The calculation result clarifies the validity of the present method. (author)

  5. An approximation to the interference term using Frobenius Method

    Energy Technology Data Exchange (ETDEWEB)

    Palma, Daniel A.P.; Martinez, Aquilino S.; Silva, Fernando C. da [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear; E-mail: aquilino@lmp.ufrj.br

    2007-07-01

    An analytical approximation of the interference term {chi}(x,{xi}) is proposed. The approximation is based on the differential equation to {chi}(x,{xi}) using the Frobenius method and the parameter variation. The analytical expression of the {chi}(x,{xi}) obtained in terms of the elementary functions is very simple and precise. In this work one applies the approximations to the Doppler broadening functions and to the interference term in determining the neutron cross sections. Results were validated for the resonances of the U{sup 238} isotope for different energies and temperature ranges. (author)

  6. An approximation to the interference term using Frobenius Method

    International Nuclear Information System (INIS)

    Palma, Daniel A.P.; Martinez, Aquilino S.; Silva, Fernando C. da

    2007-01-01

    An analytical approximation of the interference term χ(x,ξ) is proposed. The approximation is based on the differential equation to χ(x,ξ) using the Frobenius method and the parameter variation. The analytical expression of the χ(x,ξ) obtained in terms of the elementary functions is very simple and precise. In this work one applies the approximations to the Doppler broadening functions and to the interference term in determining the neutron cross sections. Results were validated for the resonances of the U 238 isotope for different energies and temperature ranges. (author)

  7. Approximate solution fuzzy pantograph equation by using homotopy perturbation method

    Science.gov (United States)

    Jameel, A. F.; Saaban, A.; Ahadkulov, H.; Alipiah, F. M.

    2017-09-01

    In this paper, Homotopy Perturbation Method (HPM) is modified and formulated to find the approximate solution for its employment to solve (FDDEs) involving a fuzzy pantograph equation. The solution that can be obtained by using HPM is in the form of infinite series that converge to the actual solution of the FDDE and this is one of the benefits of this method In addition, it can be used for solving high order fuzzy delay differential equations directly without reduction to a first order system. Moreover, the accuracy of HPM can be detected without needing the exact solution. The HPM is studied for fuzzy initial value problems involving pantograph equation. Using the properties of fuzzy set theory, we reformulate the standard approximate method of HPM and obtain the approximate solutions. The effectiveness of the proposed method is demonstrated for third order fuzzy pantograph equation.

  8. Approximate analytical solution of the Dirac equation for pseudospin symmetry with modified Po schl-Teller potential and trigonometric Scarf II non-central potential using asymptotic iteration method

    International Nuclear Information System (INIS)

    Pratiwi, B N; Suparmi, A; Cari, C; Yunianto, M; Husein, A S

    2016-01-01

    We apllied asymptotic iteration method (AIM) to obtain the analytical solution of the Dirac equation in case exact pseudospin symmetry in the presence of modified Pcischl- Teller potential and trigonometric Scarf II non-central potential. The Dirac equation was solved by variables separation into one dimensional Dirac equation, the radial part and angular part equation. The radial and angular part equation can be reduced into hypergeometric type equation by variable substitution and wavefunction substitution and then transform it into AIM type equation to obtain relativistic energy eigenvalue and wavefunctions. Relativistic energy was calculated numerically by Matlab software. And then relativistic energy spectrum and wavefunctions were visualized by Matlab software. The results show that the increase in the radial quantum number n_r causes decrease in the relativistic energy spectrum. The negative value of energy is taken due to the pseudospin symmetry limit. Several quantum wavefunctions were presented in terms of the hypergeometric functions. (paper)

  9. Approximation of the exponential integral (well function) using sampling methods

    Science.gov (United States)

    Baalousha, Husam Musa

    2015-04-01

    Exponential integral (also known as well function) is often used in hydrogeology to solve Theis and Hantush equations. Many methods have been developed to approximate the exponential integral. Most of these methods are based on numerical approximations and are valid for a certain range of the argument value. This paper presents a new approach to approximate the exponential integral. The new approach is based on sampling methods. Three different sampling methods; Latin Hypercube Sampling (LHS), Orthogonal Array (OA), and Orthogonal Array-based Latin Hypercube (OA-LH) have been used to approximate the function. Different argument values, covering a wide range, have been used. The results of sampling methods were compared with results obtained by Mathematica software, which was used as a benchmark. All three sampling methods converge to the result obtained by Mathematica, at different rates. It was found that the orthogonal array (OA) method has the fastest convergence rate compared with LHS and OA-LH. The root mean square error RMSE of OA was in the order of 1E-08. This method can be used with any argument value, and can be used to solve other integrals in hydrogeology such as the leaky aquifer integral.

  10. Improved stochastic approximation methods for discretized parabolic partial differential equations

    Science.gov (United States)

    Guiaş, Flavius

    2016-12-01

    We present improvements of the stochastic direct simulation method, a known numerical scheme based on Markov jump processes which is used for approximating solutions of ordinary differential equations. This scheme is suited especially for spatial discretizations of evolution partial differential equations (PDEs). By exploiting the full path simulation of the stochastic method, we use this first approximation as a predictor and construct improved approximations by Picard iterations, Runge-Kutta steps, or a combination. This has as consequence an increased order of convergence. We illustrate the features of the improved method at a standard benchmark problem, a reaction-diffusion equation modeling a combustion process in one space dimension (1D) and two space dimensions (2D).

  11. A working-set framework for sequential convex approximation methods

    DEFF Research Database (Denmark)

    Stolpe, Mathias

    2008-01-01

    We present an active-set algorithmic framework intended as an extension to existing implementations of sequential convex approximation methods for solving nonlinear inequality constrained programs. The framework is independent of the choice of approximations and the stabilization technique used...... to guarantee global convergence of the method. The algorithm works directly on the nonlinear constraints in the convex sub-problems and solves a sequence of relaxations of the current sub-problem. The algorithm terminates with the optimal solution to the sub-problem after solving a finite number of relaxations....

  12. An Approximate Method for the Acoustic Attenuating VTI Eikonal Equation

    KAUST Repository

    Hao, Q.

    2017-05-26

    We present an approximate method to solve the acoustic eikonal equation for attenuating transversely isotropic media with a vertical symmetry axis (VTI). A perturbation method is used to derive the perturbation formula for complex-valued traveltimes. The application of Shanks transform further enhances the accuracy of approximation. We derive both analytical and numerical solutions to the acoustic eikonal equation. The analytic solution is valid for homogeneous VTI media with moderate anellipticity and strong attenuation and attenuation-anisotropy. The numerical solution is applicable for inhomogeneous attenuating VTI media.

  13. An Approximate Method for the Acoustic Attenuating VTI Eikonal Equation

    KAUST Repository

    Hao, Q.; Alkhalifah, Tariq Ali

    2017-01-01

    We present an approximate method to solve the acoustic eikonal equation for attenuating transversely isotropic media with a vertical symmetry axis (VTI). A perturbation method is used to derive the perturbation formula for complex-valued traveltimes. The application of Shanks transform further enhances the accuracy of approximation. We derive both analytical and numerical solutions to the acoustic eikonal equation. The analytic solution is valid for homogeneous VTI media with moderate anellipticity and strong attenuation and attenuation-anisotropy. The numerical solution is applicable for inhomogeneous attenuating VTI media.

  14. Analytical Evaluation of Beam Deformation Problem Using Approximate Methods

    DEFF Research Database (Denmark)

    Barari, Amin; Kimiaeifar, A.; Domairry, G.

    2010-01-01

    The beam deformation equation has very wide applications in structural engineering. As a differential equation, it has its own problem concerning existence, uniqueness and methods of solutions. Often, original forms of governing differential equations used in engineering problems are simplified......, and this process produces noise in the obtained answers. This paper deals with the solution of second order of differential equation governing beam deformation using four analytical approximate methods, namely the Perturbation, Homotopy Perturbation Method (HPM), Homotopy Analysis Method (HAM) and Variational...... Iteration Method (VIM). The comparisons of the results reveal that these methods are very effective, convenient and quite accurate for systems of non-linear differential equation....

  15. Adaptive ACMS: A robust localized Approximated Component Mode Synthesis Method

    OpenAIRE

    Madureira, Alexandre L.; Sarkis, Marcus

    2017-01-01

    We consider finite element methods of multiscale type to approximate solutions for two-dimensional symmetric elliptic partial differential equations with heterogeneous $L^\\infty$ coefficients. The methods are of Galerkin type and follows the Variational Multiscale and Localized Orthogonal Decomposition--LOD approaches in the sense that it decouples spaces into multiscale and fine subspaces. In a first method, the multiscale basis functions are obtained by mapping coarse basis functions, based...

  16. A cluster approximation for the transfer-matrix method

    International Nuclear Information System (INIS)

    Surda, A.

    1990-08-01

    A cluster approximation for the transfer-method is formulated. The calculation of the partition function of lattice models is transformed to a nonlinear mapping problem. The method yields the free energy, correlation functions and the phase diagrams for a large class of lattice models. The high accuracy of the method is exemplified by the calculation of the critical temperature of the Ising model. (author). 14 refs, 2 figs, 1 tab

  17. Efficient solution of parabolic equations by Krylov approximation methods

    Science.gov (United States)

    Gallopoulos, E.; Saad, Y.

    1990-01-01

    Numerical techniques for solving parabolic equations by the method of lines is addressed. The main motivation for the proposed approach is the possibility of exploiting a high degree of parallelism in a simple manner. The basic idea of the method is to approximate the action of the evolution operator on a given state vector by means of a projection process onto a Krylov subspace. Thus, the resulting approximation consists of applying an evolution operator of a very small dimension to a known vector which is, in turn, computed accurately by exploiting well-known rational approximations to the exponential. Because the rational approximation is only applied to a small matrix, the only operations required with the original large matrix are matrix-by-vector multiplications, and as a result the algorithm can easily be parallelized and vectorized. Some relevant approximation and stability issues are discussed. We present some numerical experiments with the method and compare its performance with a few explicit and implicit algorithms.

  18. Analytical models approximating individual processes: a validation method.

    Science.gov (United States)

    Favier, C; Degallier, N; Menkès, C E

    2010-12-01

    Upscaling population models from fine to coarse resolutions, in space, time and/or level of description, allows the derivation of fast and tractable models based on a thorough knowledge of individual processes. The validity of such approximations is generally tested only on a limited range of parameter sets. A more general validation test, over a range of parameters, is proposed; this would estimate the error induced by the approximation, using the original model's stochastic variability as a reference. This method is illustrated by three examples taken from the field of epidemics transmitted by vectors that bite in a temporally cyclical pattern, that illustrate the use of the method: to estimate if an approximation over- or under-fits the original model; to invalidate an approximation; to rank possible approximations for their qualities. As a result, the application of the validation method to this field emphasizes the need to account for the vectors' biology in epidemic prediction models and to validate these against finer scale models. Copyright © 2010 Elsevier Inc. All rights reserved.

  19. Legendre-tau approximation for functional differential equations. II - The linear quadratic optimal control problem

    Science.gov (United States)

    Ito, Kazufumi; Teglas, Russell

    1987-01-01

    The numerical scheme based on the Legendre-tau approximation is proposed to approximate the feedback solution to the linear quadratic optimal control problem for hereditary differential systems. The convergence property is established using Trotter ideas. The method yields very good approximations at low orders and provides an approximation technique for computing closed-loop eigenvalues of the feedback system. A comparison with existing methods (based on averaging and spline approximations) is made.

  20. The generalized approximation method and nonlinear heat transfer equations

    Directory of Open Access Journals (Sweden)

    Rahmat Khan

    2009-01-01

    Full Text Available Generalized approximation technique for a solution of one-dimensional steady state heat transfer problem in a slab made of a material with temperature dependent thermal conductivity, is developed. The results obtained by the generalized approximation method (GAM are compared with those studied via homotopy perturbation method (HPM. For this problem, the results obtained by the GAM are more accurate as compared to the HPM. Moreover, our (GAM generate a sequence of solutions of linear problems that converges monotonically and rapidly to a solution of the original nonlinear problem. Each approximate solution is obtained as the solution of a linear problem. We present numerical simulations to illustrate and confirm the theoretical results.

  1. Multi-level methods and approximating distribution functions

    International Nuclear Information System (INIS)

    Wilson, D.; Baker, R. E.

    2016-01-01

    Biochemical reaction networks are often modelled using discrete-state, continuous-time Markov chains. System statistics of these Markov chains usually cannot be calculated analytically and therefore estimates must be generated via simulation techniques. There is a well documented class of simulation techniques known as exact stochastic simulation algorithms, an example of which is Gillespie’s direct method. These algorithms often come with high computational costs, therefore approximate stochastic simulation algorithms such as the tau-leap method are used. However, in order to minimise the bias in the estimates generated using them, a relatively small value of tau is needed, rendering the computational costs comparable to Gillespie’s direct method. The multi-level Monte Carlo method (Anderson and Higham, Multiscale Model. Simul. 10:146–179, 2012) provides a reduction in computational costs whilst minimising or even eliminating the bias in the estimates of system statistics. This is achieved by first crudely approximating required statistics with many sample paths of low accuracy. Then correction terms are added until a required level of accuracy is reached. Recent literature has primarily focussed on implementing the multi-level method efficiently to estimate a single system statistic. However, it is clearly also of interest to be able to approximate entire probability distributions of species counts. We present two novel methods that combine known techniques for distribution reconstruction with the multi-level method. We demonstrate the potential of our methods using a number of examples.

  2. Multi-level methods and approximating distribution functions

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, D., E-mail: daniel.wilson@dtc.ox.ac.uk; Baker, R. E. [Mathematical Institute, University of Oxford, Radcliffe Observatory Quarter, Woodstock Road, Oxford, OX2 6GG (United Kingdom)

    2016-07-15

    Biochemical reaction networks are often modelled using discrete-state, continuous-time Markov chains. System statistics of these Markov chains usually cannot be calculated analytically and therefore estimates must be generated via simulation techniques. There is a well documented class of simulation techniques known as exact stochastic simulation algorithms, an example of which is Gillespie’s direct method. These algorithms often come with high computational costs, therefore approximate stochastic simulation algorithms such as the tau-leap method are used. However, in order to minimise the bias in the estimates generated using them, a relatively small value of tau is needed, rendering the computational costs comparable to Gillespie’s direct method. The multi-level Monte Carlo method (Anderson and Higham, Multiscale Model. Simul. 10:146–179, 2012) provides a reduction in computational costs whilst minimising or even eliminating the bias in the estimates of system statistics. This is achieved by first crudely approximating required statistics with many sample paths of low accuracy. Then correction terms are added until a required level of accuracy is reached. Recent literature has primarily focussed on implementing the multi-level method efficiently to estimate a single system statistic. However, it is clearly also of interest to be able to approximate entire probability distributions of species counts. We present two novel methods that combine known techniques for distribution reconstruction with the multi-level method. We demonstrate the potential of our methods using a number of examples.

  3. An approximation method for nonlinear integral equations of Hammerstein type

    International Nuclear Information System (INIS)

    Chidume, C.E.; Moore, C.

    1989-05-01

    The solution of a nonlinear integral equation of Hammerstein type in Hilbert spaces is approximated by means of a fixed point iteration method. Explicit error estimates are given and, in some cases, convergence is shown to be at least as fast as a geometric progression. (author). 25 refs

  4. Calculating Resonance Positions and Widths Using the Siegert Approximation Method

    Science.gov (United States)

    Rapedius, Kevin

    2011-01-01

    Here, we present complex resonance states (or Siegert states) that describe the tunnelling decay of a trapped quantum particle from an intuitive point of view that naturally leads to the easily applicable Siegert approximation method. This can be used for analytical and numerical calculations of complex resonances of both the linear and nonlinear…

  5. Deconvolution of EPR spectral lines with an approximate method

    International Nuclear Information System (INIS)

    Jimenez D, H.; Cabral P, A.

    1990-10-01

    A recently reported approximation expression to deconvolution Lorentzian-Gaussian spectral lines. with small Gaussian contribution, is applied to study an EPR line shape. The potassium-ammonium solution line reported in the literature by other authors was used and the results are compared with those obtained by employing a precise method. (Author)

  6. On quasiclassical approximation in the inverse scattering method

    International Nuclear Information System (INIS)

    Geogdzhaev, V.V.

    1985-01-01

    Using as an example quasiclassical limits of the Korteweg-de Vries equation and nonlinear Schroedinger equation, the quasiclassical limiting variant of the inverse scattering problem method is presented. In quasiclassical approximation the inverse scattering problem for the Schroedinger equation is reduced to the classical inverse scattering problem

  7. Approximating methods for intractable probabilistic models: Applications in neuroscience

    DEFF Research Database (Denmark)

    Højen-Sørensen, Pedro

    2002-01-01

    This thesis investigates various methods for carrying out approximate inference in intractable probabilistic models. By capturing the relationships between random variables, the framework of graphical models hints at which sets of random variables pose a problem to the inferential step. The appro...

  8. Critical region of a type II superconducting film near Hsub(c2): rational approximants

    International Nuclear Information System (INIS)

    Ruggeri, G.J.

    1979-01-01

    The high-temperature perturbative expansions for the thermal quantities of a type II superconducting film are extrapolated to the critical region near Hsub(c2) by means of new rational approximants of the Pade type. The new approximants are forced to reproduce the leading correction to the flux lattice contribution on the low-temperature side of the transition. Compared to those previously considered in the literature: (i) the mutual consistency of the approximants is improved; and (ii) they are nearer to the exact solution of the zero-dimensional Landau-Ginsburg model. (author)

  9. Approximation of the Doppler broadening function by Frobenius method

    International Nuclear Information System (INIS)

    Palma, Daniel A.P.; Martinez, Aquilino S.; Silva, Fernando C.

    2005-01-01

    An analytical approximation of the Doppler broadening function ψ(x,ξ) is proposed. This approximation is based on the solution of the differential equation for ψ(x,ξ) using the methods of Frobenius and the parameters variation. The analytical form derived for ψ(x,ξ) in terms of elementary functions is very simple and precise. It can be useful for applications related to the treatment of nuclear resonances mainly for the calculations of multigroup parameters and self-protection factors of the resonances, being the last used to correct microscopic cross-sections measurements by the activation technique. (author)

  10. Space-angle approximations in the variational nodal method

    International Nuclear Information System (INIS)

    Lewis, E. E.; Palmiotti, G.; Taiwo, T.

    1999-01-01

    The variational nodal method is formulated such that the angular and spatial approximations maybe examined separately. Spherical harmonic, simplified spherical harmonic, and discrete ordinate approximations are coupled to the primal hybrid finite element treatment of the spatial variables. Within this framework, two classes of spatial trial functions are presented: (1) orthogonal polynomials for the treatment of homogeneous nodes and (2) bilinear finite subelement trial functions for the treatment of fuel assembly sized nodes in which fuel-pin cell cross sections are represented explicitly. Polynomial and subelement trial functions are applied to benchmark water-reactor problems containing MOX fuel using spherical harmonic and simplified spherical harmonic approximations. The resulting accuracy and computing costs are compared

  11. Approximation methods for the partition functions of anharmonic systems

    International Nuclear Information System (INIS)

    Lew, P.; Ishida, T.

    1979-07-01

    The analytical approximations for the classical, quantum mechanical and reduced partition functions of the diatomic molecule oscillating internally under the influence of the Morse potential have been derived and their convergences have been tested numerically. This successful analytical method is used in the treatment of anharmonic systems. Using Schwinger perturbation method in the framework of second quantization formulism, the reduced partition function of polyatomic systems can be put into an expression which consists separately of contributions from the harmonic terms, Morse potential correction terms and interaction terms due to the off-diagonal potential coefficients. The calculated results of the reduced partition function from the approximation method on the 2-D and 3-D model systems agree well with the numerical exact calculations

  12. Approximation methods for efficient learning of Bayesian networks

    CERN Document Server

    Riggelsen, C

    2008-01-01

    This publication offers and investigates efficient Monte Carlo simulation methods in order to realize a Bayesian approach to approximate learning of Bayesian networks from both complete and incomplete data. For large amounts of incomplete data when Monte Carlo methods are inefficient, approximations are implemented, such that learning remains feasible, albeit non-Bayesian. The topics discussed are: basic concepts about probabilities, graph theory and conditional independence; Bayesian network learning from data; Monte Carlo simulation techniques; and, the concept of incomplete data. In order to provide a coherent treatment of matters, thereby helping the reader to gain a thorough understanding of the whole concept of learning Bayesian networks from (in)complete data, this publication combines in a clarifying way all the issues presented in the papers with previously unpublished work.

  13. Introduction to methods of approximation in physics and astronomy

    CERN Document Server

    van Putten, Maurice H P M

    2017-01-01

    This textbook provides students with a solid introduction to the techniques of approximation commonly used in data analysis across physics and astronomy. The choice of methods included is based on their usefulness and educational value, their applicability to a broad range of problems and their utility in highlighting key mathematical concepts. Modern astronomy reveals an evolving universe rife with transient sources, mostly discovered - few predicted - in multi-wavelength observations. Our window of observations now includes electromagnetic radiation, gravitational waves and neutrinos. For the practicing astronomer, these are highly interdisciplinary developments that pose a novel challenge to be well-versed in astroparticle physics and data-analysis. The book is organized to be largely self-contained, starting from basic concepts and techniques in the formulation of problems and methods of approximation commonly used in computation and numerical analysis. This includes root finding, integration, signal dete...

  14. Parallel iterative solvers and preconditioners using approximate hierarchical methods

    Energy Technology Data Exchange (ETDEWEB)

    Grama, A.; Kumar, V.; Sameh, A. [Univ. of Minnesota, Minneapolis, MN (United States)

    1996-12-31

    In this paper, we report results of the performance, convergence, and accuracy of a parallel GMRES solver for Boundary Element Methods. The solver uses a hierarchical approximate matrix-vector product based on a hybrid Barnes-Hut / Fast Multipole Method. We study the impact of various accuracy parameters on the convergence and show that with minimal loss in accuracy, our solver yields significant speedups. We demonstrate the excellent parallel efficiency and scalability of our solver. The combined speedups from approximation and parallelism represent an improvement of several orders in solution time. We also develop fast and paralellizable preconditioners for this problem. We report on the performance of an inner-outer scheme and a preconditioner based on truncated Green`s function. Experimental results on a 256 processor Cray T3D are presented.

  15. Local Approximation and Hierarchical Methods for Stochastic Optimization

    Science.gov (United States)

    Cheng, Bolong

    In this thesis, we present local and hierarchical approximation methods for two classes of stochastic optimization problems: optimal learning and Markov decision processes. For the optimal learning problem class, we introduce a locally linear model with radial basis function for estimating the posterior mean of the unknown objective function. The method uses a compact representation of the function which avoids storing the entire history, as is typically required by nonparametric methods. We derive a knowledge gradient policy with the locally parametric model, which maximizes the expected value of information. We show the policy is asymptotically optimal in theory, and experimental works suggests that the method can reliably find the optimal solution on a range of test functions. For the Markov decision processes problem class, we are motivated by an application where we want to co-optimize a battery for multiple revenue, in particular energy arbitrage and frequency regulation. The nature of this problem requires the battery to make charging and discharging decisions at different time scales while accounting for the stochastic information such as load demand, electricity prices, and regulation signals. Computing the exact optimal policy becomes intractable due to the large state space and the number of time steps. We propose two methods to circumvent the computation bottleneck. First, we propose a nested MDP model that structure the co-optimization problem into smaller sub-problems with reduced state space. This new model allows us to understand how the battery behaves down to the two-second dynamics (that of the frequency regulation market). Second, we introduce a low-rank value function approximation for backward dynamic programming. This new method only requires computing the exact value function for a small subset of the state space and approximate the entire value function via low-rank matrix completion. We test these methods on historical price data from the

  16. An approximate methods approach to probabilistic structural analysis

    Science.gov (United States)

    Mcclung, R. C.; Millwater, H. R.; Wu, Y.-T.; Thacker, B. H.; Burnside, O. H.

    1989-01-01

    A probabilistic structural analysis method (PSAM) is described which makes an approximate calculation of the structural response of a system, including the associated probabilistic distributions, with minimal computation time and cost, based on a simplified representation of the geometry, loads, and material. The method employs the fast probability integration (FPI) algorithm of Wu and Wirsching. Typical solution strategies are illustrated by formulations for a representative critical component chosen from the Space Shuttle Main Engine (SSME) as part of a major NASA-sponsored program on PSAM. Typical results are presented to demonstrate the role of the methodology in engineering design and analysis.

  17. Parabolic approximation method for fast magnetosonic wave propagation in tokamaks

    International Nuclear Information System (INIS)

    Phillips, C.K.; Perkins, F.W.; Hwang, D.Q.

    1985-07-01

    Fast magnetosonic wave propagation in a cylindrical tokamak model is studied using a parabolic approximation method in which poloidal variations of the wave field are considered weak in comparison to the radial variations. Diffraction effects, which are ignored by ray tracing mthods, are included self-consistently using the parabolic method since continuous representations for the wave electromagnetic fields are computed directly. Numerical results are presented which illustrate the cylindrical convergence of the launched waves into a diffraction-limited focal spot on the cyclotron absorption layer near the magnetic axis for a wide range of plasma confinement parameters

  18. Optimization in engineering sciences approximate and metaheuristic methods

    CERN Document Server

    Stefanoiu, Dan; Popescu, Dumitru; Filip, Florin Gheorghe; El Kamel, Abdelkader

    2014-01-01

    The purpose of this book is to present the main metaheuristics and approximate and stochastic methods for optimization of complex systems in Engineering Sciences. It has been written within the framework of the European Union project ERRIC (Empowering Romanian Research on Intelligent Information Technologies), which is funded by the EU's FP7 Research Potential program and has been developed in co-operation between French and Romanian teaching researchers. Through the principles of various proposed algorithms (with additional references) this book allows the reader to explore various methods o

  19. Simple Methods to Approximate CPC Shape to Preserve Collection Efficiency

    Directory of Open Access Journals (Sweden)

    David Jafrancesco

    2012-01-01

    Full Text Available The compound parabolic concentrator (CPC is the most efficient reflective geometry to collect light to an exit port. Anyway, to allow its actual use in solar plants or photovoltaic concentration systems, a tradeoff between system efficiency and cost reduction, the two key issues for sunlight exploitation, must be found. In this work, we analyze various methods to model an approximated CPC aimed to be simpler and more cost-effective than the ideal one, as well as to preserve the system efficiency. The manufacturing easiness arises from the use of truncated conic surfaces only, which can be realized by cheap machining techniques. We compare different configurations on the basis of their collection efficiency, evaluated by means of nonsequential ray-tracing software. Moreover, due to the fact that some configurations are beam dependent and for a closer approximation of a real case, the input beam is simulated as nonsymmetric, with a nonconstant irradiance on the CPC internal surface.

  20. DQM: Decentralized Quadratically Approximated Alternating Direction Method of Multipliers

    Science.gov (United States)

    Mokhtari, Aryan; Shi, Wei; Ling, Qing; Ribeiro, Alejandro

    2016-10-01

    This paper considers decentralized consensus optimization problems where nodes of a network have access to different summands of a global objective function. Nodes cooperate to minimize the global objective by exchanging information with neighbors only. A decentralized version of the alternating directions method of multipliers (DADMM) is a common method for solving this category of problems. DADMM exhibits linear convergence rate to the optimal objective but its implementation requires solving a convex optimization problem at each iteration. This can be computationally costly and may result in large overall convergence times. The decentralized quadratically approximated ADMM algorithm (DQM), which minimizes a quadratic approximation of the objective function that DADMM minimizes at each iteration, is proposed here. The consequent reduction in computational time is shown to have minimal effect on convergence properties. Convergence still proceeds at a linear rate with a guaranteed constant that is asymptotically equivalent to the DADMM linear convergence rate constant. Numerical results demonstrate advantages of DQM relative to DADMM and other alternatives in a logistic regression problem.

  1. Linear source approximation scheme for method of characteristics

    International Nuclear Information System (INIS)

    Tang Chuntao

    2011-01-01

    Method of characteristics (MOC) for solving neutron transport equation based on unstructured mesh has already become one of the fundamental methods for lattice calculation of nuclear design code system. However, most of MOC codes are developed with flat source approximation called step characteristics (SC) scheme, which is another basic assumption for MOC. A linear source (LS) characteristics scheme and its corresponding modification for negative source distribution were proposed. The OECD/NEA C5G7-MOX 2D benchmark and a self-defined BWR mini-core problem were employed to validate the new LS module of PEACH code. Numerical results indicate that the proposed LS scheme employs less memory and computational time compared with SC scheme at the same accuracy. (authors)

  2. Perturbation methods and closure approximations in nonlinear systems

    International Nuclear Information System (INIS)

    Dubin, D.H.E.

    1984-01-01

    In the first section of this thesis, Hamiltonian theories of guiding center and gyro-center motion are developed using modern symplectic methods and Lie transformations. Littlejohn's techniques, combined with the theory of resonant interaction and island overlap, are used to explore the problem of adiabatic invariance and onset of stochasticity. As an example, the breakdown of invariance due to resonance between drift motion and gyromotion in a tokamak is considered. A Hamiltonian is developed for motion in a straight magnetic field with electrostatic perturbations in the gyrokinetic ordering, from which nonlinear gyrokinetic equations are constructed which have the property of phase-space preservation, useful for computer simulation. Energy invariants are found and various limits of the equations are considered. In the second section, statistical closure theories are applied to simple dynamical systems. The logistic map is used as an example because of its universal properties and simple quadratic nonlinearity. The first closure considered is the direct interaction approximation of Kraichnan, which is found to fail when applied to the logistic map because it cannot approximate the bounded support of the map's equilibrium distribution. By imposing a periodically constraint on a Langevin form of the DIA a new stable closure is developed

  3. Design of A Cyclone Separator Using Approximation Method

    Science.gov (United States)

    Sin, Bong-Su; Choi, Ji-Won; Lee, Kwon-Hee

    2017-12-01

    A Separator is a device installed in industrial applications to separate mixed objects. The separator of interest in this research is a cyclone type, which is used to separate a steam-brine mixture in a geothermal plant. The most important performance of the cyclone separator is the collection efficiency. The collection efficiency in this study is predicted by performing the CFD (Computational Fluid Dynamics) analysis. This research defines six shape design variables to maximize the collection efficiency. Thus, the collection efficiency is set up as the objective function in optimization process. Since the CFD analysis requires a lot of calculation time, it is impossible to obtain the optimal solution by linking the gradient-based optimization algorithm. Thus, two approximation methods are introduced to obtain an optimum design. In this process, an L18 orthogonal array is adopted as a DOE method, and kriging interpolation method is adopted to generate the metamodel for the collection efficiency. Based on the 18 analysis results, the relative importance of each variable to the collection efficiency is obtained through the ANOVA (analysis of variance). The final design is suggested considering the results obtained from two optimization methods. The fluid flow analysis of the cyclone separator is conducted by using the commercial CFD software, ANSYS-CFX.

  4. On rational approximation methods for inverse source problems

    KAUST Repository

    Rundell, William

    2011-02-01

    The basis of most imaging methods is to detect hidden obstacles or inclusions within a body when one can only make measurements on an exterior surface. Such is the ubiquity of these problems, the underlying model can lead to a partial differential equation of any of the major types, but here we focus on the case of steady-state electrostatic or thermal imaging and consider boundary value problems for Laplace\\'s equation. Our inclusions are interior forces with compact support and our data consists of a single measurement of (say) voltage/current or temperature/heat flux on the external boundary. We propose an algorithm that under certain assumptions allows for the determination of the support set of these forces by solving a simpler "equivalent point source" problem, and which uses a Newton scheme to improve the corresponding initial approximation. © 2011 American Institute of Mathematical Sciences.

  5. On rational approximation methods for inverse source problems

    KAUST Repository

    Rundell, William; Hanke, Martin

    2011-01-01

    The basis of most imaging methods is to detect hidden obstacles or inclusions within a body when one can only make measurements on an exterior surface. Such is the ubiquity of these problems, the underlying model can lead to a partial differential equation of any of the major types, but here we focus on the case of steady-state electrostatic or thermal imaging and consider boundary value problems for Laplace's equation. Our inclusions are interior forces with compact support and our data consists of a single measurement of (say) voltage/current or temperature/heat flux on the external boundary. We propose an algorithm that under certain assumptions allows for the determination of the support set of these forces by solving a simpler "equivalent point source" problem, and which uses a Newton scheme to improve the corresponding initial approximation. © 2011 American Institute of Mathematical Sciences.

  6. Efficient Method to Approximately Solve Retrial Systems with Impatience

    Directory of Open Access Journals (Sweden)

    Jose Manuel Gimenez-Guzman

    2012-01-01

    Full Text Available We present a novel technique to solve multiserver retrial systems with impatience. Unfortunately these systems do not present an exact analytic solution, so it is mandatory to resort to approximate techniques. This novel technique does not rely on the numerical solution of the steady-state Kolmogorov equations of the Continuous Time Markov Chain as it is common for this kind of systems but it considers the system in its Markov Decision Process setting. This technique, known as value extrapolation, truncates the infinite state space using a polynomial extrapolation method to approach the states outside the truncated state space. A numerical evaluation is carried out to evaluate this technique and to compare its performance with previous techniques. The obtained results show that value extrapolation greatly outperforms the previous approaches appeared in the literature not only in terms of accuracy but also in terms of computational cost.

  7. Padé approximations for Painlevé I and II transcendents

    Science.gov (United States)

    Novokshenov, V. Yu.

    2009-06-01

    We use a version of the Fair-Luke algorithm to find the Padé approximate solutions of the Painlevé I and II equations. We find the distributions of poles for the well-known Ablowitz-Segur and Hastings-McLeod solutions of the Painlevé II equation. We show that the Boutroux tritronquée solution of the Painleé I equation has poles only in the critical sector of the complex plane. The algorithm allows checking other analytic properties of the Painlevé transcendents, such as the asymptotic behavior at infinity in the complex plane.

  8. Introduction to Methods of Approximation in Physics and Astronomy

    Science.gov (United States)

    van Putten, Maurice H. P. M.

    2017-04-01

    Modern astronomy reveals an evolving Universe rife with transient sources, mostly discovered - few predicted - in multi-wavelength observations. Our window of observations now includes electromagnetic radiation, gravitational waves and neutrinos. For the practicing astronomer, these are highly interdisciplinary developments that pose a novel challenge to be well-versed in astroparticle physics and data analysis. In realizing the full discovery potential of these multimessenger approaches, the latter increasingly involves high-performance supercomputing. These lecture notes developed out of lectures on mathematical-physics in astronomy to advanced undergraduate and beginning graduate students. They are organised to be largely self-contained, starting from basic concepts and techniques in the formulation of problems and methods of approximation commonly used in computation and numerical analysis. This includes root finding, integration, signal detection algorithms involving the Fourier transform and examples of numerical integration of ordinary differential equations and some illustrative aspects of modern computational implementation. In the applications, considerable emphasis is put on fluid dynamical problems associated with accretion flows, as these are responsible for a wealth of high energy emission phenomena in astronomy. The topics chosen are largely aimed at phenomenological approaches, to capture main features of interest by effective methods of approximation at a desired level of accuracy and resolution. Formulated in terms of a system of algebraic, ordinary or partial differential equations, this may be pursued by perturbation theory through expansions in a small parameter or by direct numerical computation. Successful application of these methods requires a robust understanding of asymptotic behavior, errors and convergence. In some cases, the number of degrees of freedom may be reduced, e.g., for the purpose of (numerical) continuation or to identify

  9. Methods of Approximation Theory in Complex Analysis and Mathematical Physics

    CERN Document Server

    Saff, Edward

    1993-01-01

    The book incorporates research papers and surveys written by participants ofan International Scientific Programme on Approximation Theory jointly supervised by Institute for Constructive Mathematics of University of South Florida at Tampa, USA and the Euler International Mathematical Instituteat St. Petersburg, Russia. The aim of the Programme was to present new developments in Constructive Approximation Theory. The topics of the papers are: asymptotic behaviour of orthogonal polynomials, rational approximation of classical functions, quadrature formulas, theory of n-widths, nonlinear approximation in Hardy algebras,numerical results on best polynomial approximations, wavelet analysis. FROM THE CONTENTS: E.A. Rakhmanov: Strong asymptotics for orthogonal polynomials associated with exponential weights on R.- A.L. Levin, E.B. Saff: Exact Convergence Rates for Best Lp Rational Approximation to the Signum Function and for Optimal Quadrature in Hp.- H. Stahl: Uniform Rational Approximation of x .- M. Rahman, S.K. ...

  10. The generalized Mayer theorem in the approximating hamiltonian method

    International Nuclear Information System (INIS)

    Bakulev, A.P.; Bogoliubov, N.N. Jr.; Kurbatov, A.M.

    1982-07-01

    With the help of the generalized Mayer theorem we obtain the improved inequality for free energies of model and approximating systems, where only ''connected parts'' over the approximating hamiltonian are taken into account. For the concrete system we discuss the problem of convergency of appropriate series of ''connected parts''. (author)

  11. An approximation method for diffusion based leaching models

    International Nuclear Information System (INIS)

    Shukla, B.S.; Dignam, M.J.

    1987-01-01

    In connection with the fixation of nuclear waste in a glassy matrix equations have been derived for leaching models based on a uniform concentration gradient approximation, and hence a uniform flux, therefore requiring the use of only Fick's first law. In this paper we improve on the uniform flux approximation, developing and justifying the approach. The resulting set of equations are solved to a satisfactory approximation for a matrix dissolving at a constant rate in a finite volume of leachant to give analytical expressions for the time dependence of the thickness of the leached layer, the diffusional and dissolutional contribution to the flux, and the leachant composition. Families of curves are presented which cover the full range of all the physical parameters for this system. The same procedure can be readily extended to more complex systems. (author)

  12. Multiuser detection and channel estimation: Exact and approximate methods

    DEFF Research Database (Denmark)

    Fabricius, Thomas

    2003-01-01

    subtractive interference cancellation with hyperbolic tangent tentative decision device, in statistical mechanics and machine learning called the naive mean field approach. The differences between the proposed algorithms lie in how the bias is estimated/approximated. We propose approaches based on a second...... propose here to use accurate approximations borrowed from statistical mechanics and machine learning. These give us various algorithms that all can be formulated in a subtractive interference cancellation formalism. The suggested algorithms can e ectively be seen as bias corrections to standard...... of the Junction Tree Algorithm, which is a generalisation of Pearl's Belief Propagation, the BCJR, sum product, min/max sum, and Viterbi's algorithm. Although efficient algoithms, they have an inherent exponential complexity in the number of users when applied to CDMA multiuser detection. For this reason we...

  13. An Approximate Method for Pitch-Damping Prediction

    National Research Council Canada - National Science Library

    Danberg, James

    2003-01-01

    ...) method for predicting the pitch-damping coefficients has been employed. The CFD method provides important details necessary to derive the correlation functions that are unavailable from the current experimental database...

  14. Controlled Nonlinear Stochastic Delay Equations: Part II: Approximations and Pipe-Flow Representations

    International Nuclear Information System (INIS)

    Kushner, Harold J.

    2012-01-01

    This is the second part of a work dealing with key issues that have not been addressed in the modeling and numerical optimization of nonlinear stochastic delay systems. We consider new classes of models, such as those with nonlinear functions of several controls (such as products), each with is own delay, controlled random Poisson measure driving terms, admissions control with delayed retrials, and others. Part I was concerned with issues concerning the class of admissible controls and their approximations, since the classical definitions are inadequate for our models. This part is concerned with transportation equation representations and their approximations. Such representations of nonlinear stochastic delay models have been crucial in the development of numerical algorithms with much reduced memory and computational requirements. The representations for the new models are not obvious and are developed. They also provide a template for the adaptation of the Markov chain approximation numerical methods.

  15. Variation Iteration Method for The Approximate Solution of Nonlinear ...

    African Journals Online (AJOL)

    In this study, we considered the numerical solution of the nonlinear Burgers equation using the Variational Iteration Method (VIM). The method seeks to examine the convergence of solutions of the Burgers equation at the expense of the parameters x and t of which the amount of errors depends. Numerical experimentation ...

  16. Topological approximation methods for evolutionary problem of nonlinear hydrodynamics

    CERN Document Server

    Zvyagin, Victor

    2008-01-01

    The authors present functional analytical methods for solving a class of partial differential equations. The results have important applications to the numerical treatment of rheology (specific examples are the behaviour of blood or print colours) and to other applications in fluid mechanics. A class of methods for solving problems in hydrodynamics is presented.

  17. An Approximate Method for Solving Optimal Control Problems for Discrete Systems Based on Local Approximation of an Attainability Set

    Directory of Open Access Journals (Sweden)

    V. A. Baturin

    2017-03-01

    Full Text Available An optimal control problem for discrete systems is considered. A method of successive improvements along with its modernization based on the expansion of the main structures of the core algorithm about the parameter is suggested. The idea of the method is based on local approximation of attainability set, which is described by the zeros of the Bellman function in the special problem of optimal control. The essence of the problem is as follows: from the end point of the phase is required to find a path that minimizes functional deviations of the norm from the initial state. If the initial point belongs to the attainability set of the original controlled system, the value of the Bellman function equal to zero, otherwise the value of the Bellman function is greater than zero. For this special task Bellman equation is considered. The support approximation and Bellman equation are selected. The Bellman function is approximated by quadratic terms. Along the allowable trajectory, this approximation gives nothing, because Bellman function and its expansion coefficients are zero. We used a special trick: an additional variable is introduced, which characterizes the degree of deviation of the system from the initial state, thus it is obtained expanded original chain. For the new variable initial nonzero conditions is selected, thus obtained trajectory is lying outside attainability set and relevant Bellman function is greater than zero, which allows it to hold a non-trivial approximation. As a result of these procedures algorithms of successive improvements is designed. Conditions for relaxation algorithms and conditions for the necessary conditions of optimality are also obtained.

  18. An approximate moving boundary method for American option pricing

    NARCIS (Netherlands)

    Chockalingam, A.; Muthuraman, K.

    2015-01-01

    We present a method to solve the free-boundary problem that arises in the pricing of classical American options. Such free-boundary problems arise when one attempts to solve optimal-stopping problems set in continuous time. American option pricing is one of the most popular optimal-stopping problems

  19. Local Gaussian approximation in the generator coordinate method

    International Nuclear Information System (INIS)

    Onishi, Naoki; Une, Tsutomu.

    1975-01-01

    A transformation from a non-orthogonal representation to an orthogonal representation of wave functions is studied in the generator coordinate method. A differential equation can be obtained by the transformation for a case that the eigenvalue equation of the overlap kernel is solvable. By assuming local Gaussian overlap, we derive a Schroedinger-type equation for the collective motion from the Hill-Wheeler integral equation. (auth.)

  20. Local Gaussian approximation in the generator coordinate method

    Energy Technology Data Exchange (ETDEWEB)

    Onishi, N [Tokyo Univ. (Japan). Coll. of General Education; Une, Tsutomu

    1975-02-01

    A transformation from a non-orthogonal representation to an orthogonal representation of wave functions is studied in the generator coordinate method. A differential equation can be obtained by the transformation for a case that the eigenvalue equation of the overlap kernel is solvable. By assuming local Gaussian overlap, we derive a Schroedinger-type equation for the collective motion from the Hill-Wheeler integral equation.

  1. Convergence of method of lines approximations to partial differential equations

    International Nuclear Information System (INIS)

    Verwer, J.G.; Sanz-Serna, J.M.

    1984-01-01

    Many existing numerical schemes for evolutionary problems in partial differential equations (PDEs) can be viewed as method of lines (MOL) schemes. This paper treats the convergence of one-step MOL schemes. The main purpose is to set up a general framework for a convergence analysis applicable to nonlinear problems. The stability materials for this framework are taken from the field of nonlinear stiff ODEs. In this connection, important concepts are the logarithmic matrix norm and C-stability. A nonlinear parabolic equation and the cubic Schroedinger equation are used for illustrating the ideas. (Auth.)

  2. SET: A Pupil Detection Method Using Sinusoidal Approximation

    Directory of Open Access Journals (Sweden)

    Amir-Homayoun eJavadi

    2015-04-01

    Full Text Available Mobile eye-tracking in external environments remains challenging, despite recent advances in eye-tracking software and hardware engineering. Many current methods fail to deal with the vast range of outdoor lighting conditions and the speed at which these can change. This confines experiments to artificial environments where conditions must be tightly controlled. Additionally, the emergence of low-cost eye tracking devices calls for the development of analysis tools that enable non-technical researchers to process the output of their images. We have developed a fast and accurate method (known as ‘SET’ that is suitable even for natural environments with uncontrolled, dynamic and even extreme lighting conditions. We compared the performance of SET with that of two open-source alternatives by processing two collections of eye images: images of natural outdoor scenes with extreme lighting variations (‘Natural’; and images of less challenging indoor scenes (‘CASIA-Iris-Thousand’. We show that SET excelled in outdoor conditions and was faster, without significant loss of accuracy, indoors. SET offers a low cost eye-tracking solution, delivering high performance even in challenging outdoor environments. It is offered through an open-source MATLAB toolkit as well as a dynamic-link library (‘DLL’, which can be imported into many programming languages including C# and Visual Basic in Windows OS (www.eyegoeyetracker.co.uk.

  3. Evaluation of Fresnel's corrections to the eikonal approximation by the separabilization method

    International Nuclear Information System (INIS)

    Musakhanov, M.M.; Zubarev, A.L.

    1975-01-01

    Method of separabilization of potential over the Schroedinger approximate solutions, leading to Schwinger's variational principle for scattering amplitude, is suggested. The results are applied to calculation of the Fresnel corrections to the Glauber approximation

  4. Comparison of Two-Block Decomposition Method and Chebyshev Rational Approximation Method for Depletion Calculation

    International Nuclear Information System (INIS)

    Lee, Yoon Hee; Cho, Nam Zin

    2016-01-01

    The code gives inaccurate results of nuclides for evaluation of source term analysis, e.g., Sr- 90, Ba-137m, Cs-137, etc. A Krylov Subspace method was suggested by Yamamoto et al. The method is based on the projection of solution space of Bateman equation to a lower dimension of Krylov subspace. It showed good accuracy in the detailed burnup chain calculation if dimension of the Krylov subspace is high enough. In this paper, we will compare the two methods in terms of accuracy and computing time. In this paper, two-block decomposition (TBD) method and Chebyshev rational approximation method (CRAM) are compared in the depletion calculations. In the two-block decomposition method, according to the magnitude of effective decay constant, the system of Bateman equation is decomposed into short- and longlived blocks. The short-lived block is calculated by the general Bateman solution and the importance concept. Matrix exponential with smaller norm is used in the long-lived block. In the Chebyshev rational approximation, there is no decomposition of the Bateman equation system, and the accuracy of the calculation is determined by the order of expansion in the partial fraction decomposition of the rational form. The coefficients in the partial fraction decomposition are determined by a Remez-type algorithm.

  5. Comparison of Two-Block Decomposition Method and Chebyshev Rational Approximation Method for Depletion Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yoon Hee; Cho, Nam Zin [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    The code gives inaccurate results of nuclides for evaluation of source term analysis, e.g., Sr- 90, Ba-137m, Cs-137, etc. A Krylov Subspace method was suggested by Yamamoto et al. The method is based on the projection of solution space of Bateman equation to a lower dimension of Krylov subspace. It showed good accuracy in the detailed burnup chain calculation if dimension of the Krylov subspace is high enough. In this paper, we will compare the two methods in terms of accuracy and computing time. In this paper, two-block decomposition (TBD) method and Chebyshev rational approximation method (CRAM) are compared in the depletion calculations. In the two-block decomposition method, according to the magnitude of effective decay constant, the system of Bateman equation is decomposed into short- and longlived blocks. The short-lived block is calculated by the general Bateman solution and the importance concept. Matrix exponential with smaller norm is used in the long-lived block. In the Chebyshev rational approximation, there is no decomposition of the Bateman equation system, and the accuracy of the calculation is determined by the order of expansion in the partial fraction decomposition of the rational form. The coefficients in the partial fraction decomposition are determined by a Remez-type algorithm.

  6. An Approximate Redistributed Proximal Bundle Method with Inexact Data for Minimizing Nonsmooth Nonconvex Functions

    Directory of Open Access Journals (Sweden)

    Jie Shen

    2015-01-01

    Full Text Available We describe an extension of the redistributed technique form classical proximal bundle method to the inexact situation for minimizing nonsmooth nonconvex functions. The cutting-planes model we construct is not the approximation to the whole nonconvex function, but to the local convexification of the approximate objective function, and this kind of local convexification is modified dynamically in order to always yield nonnegative linearization errors. Since we only employ the approximate function values and approximate subgradients, theoretical convergence analysis shows that an approximate stationary point or some double approximate stationary point can be obtained under some mild conditions.

  7. A domian Decomposition Method for Transient Neutron Transport with Pomrning-Eddington Approximation

    International Nuclear Information System (INIS)

    Hendi, A.A.; Abulwafa, E.E.

    2008-01-01

    The time-dependent neutron transport problem is approximated using the Pomraning-Eddington approximation. This approximation is two-flux approximation that expands the angular intensity in terms of the energy density and the net flux. This approximation converts the integro-differential Boltzmann equation into two first order differential equations. The A domian decomposition method that used to solve the linear or nonlinear differential equations is used to solve the resultant two differential equations to find the neutron energy density and net flux, which can be used to calculate the neutron angular intensity through the Pomraning-Eddington approximation

  8. The complex variable boundary element method: Applications in determining approximative boundaries

    Science.gov (United States)

    Hromadka, T.V.

    1984-01-01

    The complex variable boundary element method (CVBEM) is used to determine approximation functions for boundary value problems of the Laplace equation such as occurs in potential theory. By determining an approximative boundary upon which the CVBEM approximator matches the desired constant (level curves) boundary conditions, the CVBEM is found to provide the exact solution throughout the interior of the transformed problem domain. Thus, the acceptability of the CVBEM approximation is determined by the closeness-of-fit of the approximative boundary to the study problem boundary. ?? 1984.

  9. A Resampling-Based Stochastic Approximation Method for Analysis of Large Geostatistical Data

    KAUST Repository

    Liang, Faming; Cheng, Yichen; Song, Qifan; Park, Jincheol; Yang, Ping

    2013-01-01

    large number of observations. This article proposes a resampling-based stochastic approximation method to address this challenge. At each iteration of the proposed method, a small subsample is drawn from the full dataset, and then the current estimate

  10. The C{sub n} method for approximation of the Boltzmann equation; La methode C{sub n} d'approximation de l'equation de Boltzmann

    Energy Technology Data Exchange (ETDEWEB)

    Benoist, P; Kavenoky, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1968-01-15

    In a new method of approximation of the Boltzmann equation, one starts from a particular form of the equation which involves only the angular flux at the boundary of the considered medium and where the space variable does not appear explicitly. Expanding in orthogonal polynomials the angular flux of neutrons leaking from the medium and making no assumption about the angular flux within the medium, very good approximations to several classical plane geometry problems, i.e. the albedo of slabs and the transmission by slabs, the extrapolation length of the Milne problem, the spectrum of neutrons reflected by a semi-infinite slowing down medium. The method can be extended to other geometries. (authors) [French] On etablit une nouvelle methode d'approximation pour l'equation de Boltzmann en partant d'une forme particuliere de cette equation qui n'implique que le flux angulaire a la frontiere du milieu et ou les variables d'espace n'apparaissent pas explicitement. Par un developpement en polynomes orthogonaux du flux angulaire sortant du milieu et sans faire d'hypothese sur le flux angulaire a l'interieur du milieu, on obtient de tres bonnes approximations pour plusieurs problemes classiques en geometrie plane: l'albedo et le facteur de transmission des plaques, la longueur d'extrapolation du probleme de Milne, le spectre des neutrons reflechis par un milieu semi-infini ralentisseur. La methode se generalise a d'autres geometries. (auteurs)

  11. Approximate method in estimation sensitivity responses to variations in delayed neutron energy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, J.; Shin, H. S.; Song, T. Y.; Park, W. S. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-12-31

    Previous our numerical results in computing point kinetics equations show a possibility in developing approximations to estimate sensitivity responses of nuclear reactor. We recalculate sensitivity responses by maintaining the corrections with first order of sensitivity parameter. We present a method for computing sensitivity responses of nuclear reactor based on an approximation derived from point kinetics equations. Exploiting this approximation, we found that the first order approximation works to estimate variations in the time to reach peak power because of their linear dependence on a sensitivity parameter, and that there are errors in estimating the peak power in the first order approximation for larger sensitivity parameters. To confirm legitimacy of out approximation, these approximate results are compared with exact results obtained from out previous numerical study. 4 refs., 2 figs., 3 tabs. (Author)

  12. Approximate method in estimation sensitivity responses to variations in delayed neutron energy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, J; Shin, H S; Song, T Y; Park, W S [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1998-12-31

    Previous our numerical results in computing point kinetics equations show a possibility in developing approximations to estimate sensitivity responses of nuclear reactor. We recalculate sensitivity responses by maintaining the corrections with first order of sensitivity parameter. We present a method for computing sensitivity responses of nuclear reactor based on an approximation derived from point kinetics equations. Exploiting this approximation, we found that the first order approximation works to estimate variations in the time to reach peak power because of their linear dependence on a sensitivity parameter, and that there are errors in estimating the peak power in the first order approximation for larger sensitivity parameters. To confirm legitimacy of out approximation, these approximate results are compared with exact results obtained from out previous numerical study. 4 refs., 2 figs., 3 tabs. (Author)

  13. Renormalization of self-consistent approximation schemes at finite temperature. II. Applications to the sunset diagram

    International Nuclear Information System (INIS)

    Hees, Hendrik van; Knoll, Joern

    2002-01-01

    The theoretical concepts for the renormalization of self-consistent Dyson resummations, devised in the first paper of this series, are applied to first example cases of φ 4 theory. In addition to the tadpole (Hartree) approximation, as a novel part the numerical solutions are presented, which include the sunset self-energy diagram into the self-consistent scheme based on the Φ-derivable approximation or the two-particle irreducible effective action concept

  14. Renormalization of self-consistent approximation schemes at finite temperature II: applications to the sunset diagram

    International Nuclear Information System (INIS)

    Hees, H. van; Knoll, J.

    2001-01-01

    The theoretical concepts for the renormalization of self-consistent Dyson resummations, deviced in the first paper of this series, are applied to first example cases for the φ 4 -theory. Besides the tadpole (Hartree) approximation as a novel part the numerical solutions are presented which includes the sunset self-energy diagram into the self-consistent scheme based on the Φ-derivable approximation or 2PI effective action concept. (orig.)

  15. Cosmological models in globally geodesic coordinates. II. Near-field approximation

    International Nuclear Information System (INIS)

    Liu Hongya

    1987-01-01

    A near-field approximation dealing with the cosmological field near a typical freely falling observer is developed within the framework established in the preceding paper [J. Math. Phys. 28, xxxx(1987)]. It is found that for the matter-dominated era the standard cosmological model of general relativity contains the Newtonian cosmological model, proposed by Zel'dovich, as its near-field approximation in the observer's globally geodesic coordinate system

  16. ANALYTICAL MODELS OF EXOPLANETARY ATMOSPHERES. II. RADIATIVE TRANSFER VIA THE TWO-STREAM APPROXIMATION

    Energy Technology Data Exchange (ETDEWEB)

    Heng, Kevin; Mendonça, João M.; Lee, Jae-Min, E-mail: kevin.heng@csh.unibe.ch, E-mail: joao.mendonca@csh.unibe.ch, E-mail: lee@physik.uzh.ch [University of Bern, Center for Space and Habitability, Sidlerstrasse 5, CH-3012 Bern (Switzerland)

    2014-11-01

    We present a comprehensive analytical study of radiative transfer using the method of moments and include the effects of non-isotropic scattering in the coherent limit. Within this unified formalism, we derive the governing equations and solutions describing two-stream radiative transfer (which approximates the passage of radiation as a pair of outgoing and incoming fluxes), flux-limited diffusion (which describes radiative transfer in the deep interior), and solutions for the temperature-pressure profiles. Generally, the problem is mathematically underdetermined unless a set of closures (Eddington coefficients) is specified. We demonstrate that the hemispheric (or hemi-isotropic) closure naturally derives from the radiative transfer equation if energy conservation is obeyed, while the Eddington closure produces spurious enhancements of both reflected light and thermal emission. We concoct recipes for implementing two-stream radiative transfer in stand-alone numerical calculations and general circulation models. We use our two-stream solutions to construct toy models of the runaway greenhouse effect. We present a new solution for temperature-pressure profiles with a non-constant optical opacity and elucidate the effects of non-isotropic scattering in the optical and infrared. We derive generalized expressions for the spherical and Bond albedos and the photon deposition depth. We demonstrate that the value of the optical depth corresponding to the photosphere is not always 2/3 (Milne's solution) and depends on a combination of stellar irradiation, internal heat, and the properties of scattering in both the optical and infrared. Finally, we derive generalized expressions for the total, net, outgoing, and incoming fluxes in the convective regime.

  17. Comparative analysis of approximations used in the methods of Faddeev equations and hyperspherical harmonics

    International Nuclear Information System (INIS)

    Mukhtarova, M.I.

    1988-01-01

    Comparative analysis of approximations, used in the methods of Faddeev equations and hyperspherical harmonics (MHH) was conducted. The differences in solutions of these methods, related with introduction of approximation of sufficient partial states into the three-nucleon problem, is shown. MHH method is preferred. It is shown that MHH advantage can be manifested clearly when studying new classes of interactions: three-particle, Δ-isobar, nonlocal and other interactions

  18. An explicit approximate solution to the Duffing-harmonic oscillator by a cubication method

    International Nuclear Information System (INIS)

    Belendez, A.; Mendez, D.I.; Fernandez, E.; Marini, S.; Pascual, I.

    2009-01-01

    The nonlinear oscillations of a Duffing-harmonic oscillator are investigated by an approximated method based on the 'cubication' of the initial nonlinear differential equation. In this cubication method the restoring force is expanded in Chebyshev polynomials and the original nonlinear differential equation is approximated by a Duffing equation in which the coefficients for the linear and cubic terms depend on the initial amplitude, A. The replacement of the original nonlinear equation by an approximate Duffing equation allows us to obtain explicit approximate formulas for the frequency and the solution as a function of the complete elliptic integral of the first kind and the Jacobi elliptic function, respectively. These explicit formulas are valid for all values of the initial amplitude and we conclude this cubication method works very well for the whole range of initial amplitudes. Excellent agreement of the approximate frequencies and periodic solutions with the exact ones is demonstrated and discussed and the relative error for the approximate frequency is as low as 0.071%. Unlike other approximate methods applied to this oscillator, which are not capable to reproduce exactly the behaviour of the approximate frequency when A tends to zero, the cubication method used in this Letter predicts exactly the behaviour of the approximate frequency not only when A tends to infinity, but also when A tends to zero. Finally, a closed-form expression for the approximate frequency is obtained in terms of elementary functions. To do this, the relationship between the complete elliptic integral of the first kind and the arithmetic-geometric mean as well as Legendre's formula to approximately obtain this mean are used.

  19. Higher accuracy analytical approximations to a nonlinear oscillator with discontinuity by He's homotopy perturbation method

    International Nuclear Information System (INIS)

    Belendez, A.; Hernandez, A.; Belendez, T.; Neipp, C.; Marquez, A.

    2008-01-01

    He's homotopy perturbation method is used to calculate higher-order approximate periodic solutions of a nonlinear oscillator with discontinuity for which the elastic force term is proportional to sgn(x). We find He's homotopy perturbation method works very well for the whole range of initial amplitudes, and the excellent agreement of the approximate frequencies and periodic solutions with the exact ones has been demonstrated and discussed. Only one iteration leads to high accuracy of the solutions with a maximal relative error for the approximate period of less than 1.56% for all values of oscillation amplitude, while this relative error is 0.30% for the second iteration and as low as 0.057% when the third-order approximation is considered. Comparison of the result obtained using this method with those obtained by different harmonic balance methods reveals that He's homotopy perturbation method is very effective and convenient

  20. Approximation by rational functions as processing method, analysis and transformation of neutron data

    International Nuclear Information System (INIS)

    Gaj, E.V.; Badikov, S.A.; Gusejnov, M.A.; Rabotnov, N.S.

    1988-01-01

    Possible applications of rational functions in the analysis of neutron cross sections, angular distributions and neutron constants generation are described. Results of investigations made in this direction, which have been obtained after the preceding conference in Kiev, are presented: the method of simultaneous treatment of several cross sections for one compound nucleus in the resonance range; the use of the Pade approximation for elastically scattered neutron angular distribution approximation; obtaining of subgroup constants on the basis of rational approximation of cross section functional dependence on dilution cross section; the first experience in function approximation by two variables

  1. An Approximate Proximal Bundle Method to Minimize a Class of Maximum Eigenvalue Functions

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2014-01-01

    Full Text Available We present an approximate nonsmooth algorithm to solve a minimization problem, in which the objective function is the sum of a maximum eigenvalue function of matrices and a convex function. The essential idea to solve the optimization problem in this paper is similar to the thought of proximal bundle method, but the difference is that we choose approximate subgradient and function value to construct approximate cutting-plane model to solve the above mentioned problem. An important advantage of the approximate cutting-plane model for objective function is that it is more stable than cutting-plane model. In addition, the approximate proximal bundle method algorithm can be given. Furthermore, the sequences generated by the algorithm converge to the optimal solution of the original problem.

  2. Approximation and inference methods for stochastic biochemical kinetics—a tutorial review

    International Nuclear Information System (INIS)

    Schnoerr, David; Grima, Ramon; Sanguinetti, Guido

    2017-01-01

    Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose dynamics are governed by the chemical master equation. Despite its simple structure, no analytic solutions to the chemical master equation are known for most systems. Moreover, stochastic simulations are computationally expensive, making systematic analysis and statistical inference a challenging task. Consequently, significant effort has been spent in recent decades on the development of efficient approximation and inference methods. This article gives an introduction to basic modelling concepts as well as an overview of state of the art methods. First, we motivate and introduce deterministic and stochastic methods for modelling chemical networks, and give an overview of simulation and exact solution methods. Next, we discuss several approximation methods, including the chemical Langevin equation, the system size expansion, moment closure approximations, time-scale separation approximations and hybrid methods. We discuss their various properties and review recent advances and remaining challenges for these methods. We present a comparison of several of these methods by means of a numerical case study and highlight some of their respective advantages and disadvantages. Finally, we discuss the problem of inference from experimental data in the Bayesian framework and review recent methods developed the literature. In summary, this review gives a self-contained introduction to modelling, approximations and inference methods for stochastic chemical kinetics. (topical review)

  3. Evaluation of the successive approximations method for acoustic streaming numerical simulations.

    Science.gov (United States)

    Catarino, S O; Minas, G; Miranda, J M

    2016-05-01

    This work evaluates the successive approximations method commonly used to predict acoustic streaming by comparing it with a direct method. The successive approximations method solves both the acoustic wave propagation and acoustic streaming by solving the first and second order Navier-Stokes equations, ignoring the first order convective effects. This method was applied to acoustic streaming in a 2D domain and the results were compared with results from the direct simulation of the Navier-Stokes equations. The velocity results showed qualitative agreement between both methods, which indicates that the successive approximations method can describe the formation of flows with recirculation. However, a large quantitative deviation was observed between the two methods. Further analysis showed that the successive approximation method solution is sensitive to the initial flow field. The direct method showed that the instantaneous flow field changes significantly due to reflections and wave interference. It was also found that convective effects contribute significantly to the wave propagation pattern. These effects must be taken into account when solving the acoustic streaming problems, since it affects the global flow. By adequately calculating the initial condition for first order step, the acoustic streaming prediction by the successive approximations method can be improved significantly.

  4. Approximate Analytic Solutions for the Two-Phase Stefan Problem Using the Adomian Decomposition Method

    Directory of Open Access Journals (Sweden)

    Xiao-Ying Qin

    2014-01-01

    Full Text Available An Adomian decomposition method (ADM is applied to solve a two-phase Stefan problem that describes the pure metal solidification process. In contrast to traditional analytical methods, ADM avoids complex mathematical derivations and does not require coordinate transformation for elimination of the unknown moving boundary. Based on polynomial approximations for some known and unknown boundary functions, approximate analytic solutions for the model with undetermined coefficients are obtained using ADM. Substitution of these expressions into other equations and boundary conditions of the model generates some function identities with the undetermined coefficients. By determining these coefficients, approximate analytic solutions for the model are obtained. A concrete example of the solution shows that this method can easily be implemented in MATLAB and has a fast convergence rate. This is an efficient method for finding approximate analytic solutions for the Stefan and the inverse Stefan problems.

  5. METHODS OF THE APPROXIMATE ESTIMATIONS OF FATIGUE DURABILITY OF COMPOSITE AIRFRAME COMPONENT TYPICAL ELEMENTS

    Directory of Open Access Journals (Sweden)

    V. E. Strizhius

    2015-01-01

    Full Text Available Methods of the approximate estimations of fatigue durability of composite airframe component typical elements which can be recommended for application at the stage of outline designing of the airplane are generated and presented.

  6. An approximate method for lateral stability analysis of wall-frame ...

    Indian Academy of Sciences (India)

    Initially the stability differential equation of this equivalent sandwich beam is ... buckling loads of coupled shear-wall structures using continuous medium ... In this study, an approximate method based on continuum system model and transfer.

  7. Peculiarities of cyclotron magnetic system calculation with the finite difference method using two-dimensional approximation

    International Nuclear Information System (INIS)

    Shtromberger, N.L.

    1989-01-01

    To design a cyclotron magnetic system the legitimacy of two-dimensional approximations application is discussed. In all the calculations the finite difference method is used, and the linearization method with further use of the gradient conjugation method is used to solve the set of finite-difference equations. 3 refs.; 5 figs

  8. Analytical mass formula and nuclear surface properties in the ETF approximation. Part II: asymmetric nuclei

    Science.gov (United States)

    Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

    2016-08-01

    We have recently addressed the problem of the determination of the nuclear surface energy for symmetric nuclei in the framework of the extended Thomas-Fermi (ETF) approximation using Skyrme functionals. We presently extend this formalism to the case of asymmetric nuclei and the question of the surface symmetry energy. We propose an approximate expression for the diffuseness and the surface energy. These quantities are analytically related to the parameters of the energy functional. In particular, the influence of the different equation of state parameters can be explicitly quantified. Detailed analyses of the different energy components (local/non-local, isoscalar/isovector, surface/curvature and higher order) are also performed. Our analytical solution of the ETF integral improves previous models and leads to a precision of better than 200 keV per nucleon in the determination of the nuclear binding energy for dripline nuclei.

  9. Intelligent control-II: review of fuzzy systems and theory of approximate reasoning

    International Nuclear Information System (INIS)

    Nagrial, M.H.

    2004-01-01

    Fuzzy systems are knowledge-based or rule-based systems. The heart of a fuzzy systems knowledge base consisting of the so-called fuzzy IF -THEN rules. This paper reviews various aspects of fuzzy IF-THEN rules. The theory of approximate reasoning, which provides a powerful framework for reasoning the imprecise and uncertain information, , is also reviewed. Additional properties of fuzzy systems are also discussed. (author)

  10. Enhanced Multistage Homotopy Perturbation Method: Approximate Solutions of Nonlinear Dynamic Systems

    Directory of Open Access Journals (Sweden)

    Daniel Olvera

    2014-01-01

    Full Text Available We introduce a new approach called the enhanced multistage homotopy perturbation method (EMHPM that is based on the homotopy perturbation method (HPM and the usage of time subintervals to find the approximate solution of differential equations with strong nonlinearities. We also study the convergence of our proposed EMHPM approach based on the value of the control parameter h by following the homotopy analysis method (HAM. At the end of the paper, we compare the derived EMHPM approximate solutions of some nonlinear physical systems with their corresponding numerical integration solutions obtained by using the classical fourth order Runge-Kutta method via the amplitude-time response curves.

  11. Weakly intrusive low-rank approximation method for nonlinear parameter-dependent equations

    KAUST Repository

    Giraldi, Loic; Nouy, Anthony

    2017-01-01

    This paper presents a weakly intrusive strategy for computing a low-rank approximation of the solution of a system of nonlinear parameter-dependent equations. The proposed strategy relies on a Newton-like iterative solver which only requires evaluations of the residual of the parameter-dependent equation and of a preconditioner (such as the differential of the residual) for instances of the parameters independently. The algorithm provides an approximation of the set of solutions associated with a possibly large number of instances of the parameters, with a computational complexity which can be orders of magnitude lower than when using the same Newton-like solver for all instances of the parameters. The reduction of complexity requires efficient strategies for obtaining low-rank approximations of the residual, of the preconditioner, and of the increment at each iteration of the algorithm. For the approximation of the residual and the preconditioner, weakly intrusive variants of the empirical interpolation method are introduced, which require evaluations of entries of the residual and the preconditioner. Then, an approximation of the increment is obtained by using a greedy algorithm for low-rank approximation, and a low-rank approximation of the iterate is finally obtained by using a truncated singular value decomposition. When the preconditioner is the differential of the residual, the proposed algorithm is interpreted as an inexact Newton solver for which a detailed convergence analysis is provided. Numerical examples illustrate the efficiency of the method.

  12. Weakly intrusive low-rank approximation method for nonlinear parameter-dependent equations

    KAUST Repository

    Giraldi, Loic

    2017-06-30

    This paper presents a weakly intrusive strategy for computing a low-rank approximation of the solution of a system of nonlinear parameter-dependent equations. The proposed strategy relies on a Newton-like iterative solver which only requires evaluations of the residual of the parameter-dependent equation and of a preconditioner (such as the differential of the residual) for instances of the parameters independently. The algorithm provides an approximation of the set of solutions associated with a possibly large number of instances of the parameters, with a computational complexity which can be orders of magnitude lower than when using the same Newton-like solver for all instances of the parameters. The reduction of complexity requires efficient strategies for obtaining low-rank approximations of the residual, of the preconditioner, and of the increment at each iteration of the algorithm. For the approximation of the residual and the preconditioner, weakly intrusive variants of the empirical interpolation method are introduced, which require evaluations of entries of the residual and the preconditioner. Then, an approximation of the increment is obtained by using a greedy algorithm for low-rank approximation, and a low-rank approximation of the iterate is finally obtained by using a truncated singular value decomposition. When the preconditioner is the differential of the residual, the proposed algorithm is interpreted as an inexact Newton solver for which a detailed convergence analysis is provided. Numerical examples illustrate the efficiency of the method.

  13. Approximate solution of generalized Ginzburg-Landau-Higgs system via homotopy perturbation method

    Energy Technology Data Exchange (ETDEWEB)

    Lu Juhong [School of Physics and Electromechanical Engineering, Shaoguan Univ., Guangdong (China); Dept. of Information Engineering, Coll. of Lishui Professional Tech., Zhejiang (China); Zheng Chunlong [School of Physics and Electromechanical Engineering, Shaoguan Univ., Guangdong (China); Shanghai Inst. of Applied Mathematics and Mechanics, Shanghai Univ., SH (China)

    2010-04-15

    Using the homotopy perturbation method, a class of nonlinear generalized Ginzburg-Landau-Higgs systems (GGLH) is considered. Firstly, by introducing a homotopic transformation, the nonlinear problem is changed into a system of linear equations. Secondly, by selecting a suitable initial approximation, the approximate solution with arbitrary degree accuracy to the generalized Ginzburg-Landau-Higgs system is derived. Finally, another type of homotopic transformation to the generalized Ginzburg-Landau-Higgs system reported in previous literature is briefly discussed. (orig.)

  14. Reliability-based design optimization using a generalized subset simulation method and posterior approximation

    Science.gov (United States)

    Ma, Yuan-Zhuo; Li, Hong-Shuang; Yao, Wei-Xing

    2018-05-01

    The evaluation of the probabilistic constraints in reliability-based design optimization (RBDO) problems has always been significant and challenging work, which strongly affects the performance of RBDO methods. This article deals with RBDO problems using a recently developed generalized subset simulation (GSS) method and a posterior approximation approach. The posterior approximation approach is used to transform all the probabilistic constraints into ordinary constraints as in deterministic optimization. The assessment of multiple failure probabilities required by the posterior approximation approach is achieved by GSS in a single run at all supporting points, which are selected by a proper experimental design scheme combining Sobol' sequences and Bucher's design. Sequentially, the transformed deterministic design optimization problem can be solved by optimization algorithms, for example, the sequential quadratic programming method. Three optimization problems are used to demonstrate the efficiency and accuracy of the proposed method.

  15. Development of approximate shielding calculation method for high energy cosmic radiation on LEO satellites

    International Nuclear Information System (INIS)

    Sin, M. W.; Kim, M. H.

    2002-01-01

    To calculate total dose effect on semi-conductor devices in satellite for a period of space mission effectively, two approximate calculation models for a comic radiation shielding were proposed. They are a sectoring method and a chord-length distribution method. When an approximate method was applied in this study, complex structure of satellite was described into multiple 1-dimensional slabs, structural materials were converted to reference material(aluminum), and the pre-calculated dose-depth conversion function was introduced to simplify the calculation process. Verification calculation was performed for orbit location and structure geometry of KITSAT-1 and compared with detailed 3-dimensional calculation results and experimental values. The calculation results from approximate method were estimated conservatively with acceptable error. However, results for satellite mission simulation were underestimated in total dose rate compared with experimental values

  16. Development of approximate shielding calculation method for high energy cosmic radiation on LEO satellites

    Energy Technology Data Exchange (ETDEWEB)

    Sin, M. W.; Kim, M. H. [Kyunghee Univ., Yongin (Korea, Republic of)

    2002-10-01

    To calculate total dose effect on semi-conductor devices in satellite for a period of space mission effectively, two approximate calculation models for a comic radiation shielding were proposed. They are a sectoring method and a chord-length distribution method. When an approximate method was applied in this study, complex structure of satellite was described into multiple 1-dimensional slabs, structural materials were converted to reference material(aluminum), and the pre-calculated dose-depth conversion function was introduced to simplify the calculation process. Verification calculation was performed for orbit location and structure geometry of KITSAT-1 and compared with detailed 3-dimensional calculation results and experimental values. The calculation results from approximate method were estimated conservatively with acceptable error. However, results for satellite mission simulation were underestimated in total dose rate compared with experimental values.

  17. Approximate analytical solution of diffusion equation with fractional time derivative using optimal homotopy analysis method

    Directory of Open Access Journals (Sweden)

    S. Das

    2013-12-01

    Full Text Available In this article, optimal homotopy-analysis method is used to obtain approximate analytic solution of the time-fractional diffusion equation with a given initial condition. The fractional derivatives are considered in the Caputo sense. Unlike usual Homotopy analysis method, this method contains at the most three convergence control parameters which describe the faster convergence of the solution. Effects of parameters on the convergence of the approximate series solution by minimizing the averaged residual error with the proper choices of parameters are calculated numerically and presented through graphs and tables for different particular cases.

  18. Born approximation to a perturbative numerical method for the solution of the Schrodinger equation

    International Nuclear Information System (INIS)

    Adam, Gh.

    1978-05-01

    A perturbative numerical (PN) method is given for the solution of a regular one-dimensional Cauchy problem arising from the Schroedinger equation. The present method uses a step function approximation for the potential. Global, free of scaling difficulty, forward and backward PN algorithms are derived within first order perturbation theory (Born approximation). A rigorous analysis of the local truncation errors is performed. This shows that the order of accuracy of the method is equal to four. In between the mesh points, the global formula for the wavefunction is accurate within O(h 4 ), while that for the first order derivative is accurate within O(h 3 ). (author)

  19. Approximation of the unsteady Brinkman-Forchheimer equations by the pressure stabilization method

    KAUST Repository

    Louaked, Mohammed; Seloula, Nour; Trabelsi, Saber

    2017-01-01

    In this work, we propose and analyze the pressure stabilization method for the unsteady incompressible Brinkman-Forchheimer equations. We present a time discretization scheme which can be used with any consistent finite element space approximation. Second-order error estimate is proven. Some numerical results are also given.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2017

  20. Approximate Analytic and Numerical Solutions to Lane-Emden Equation via Fuzzy Modeling Method

    Directory of Open Access Journals (Sweden)

    De-Gang Wang

    2012-01-01

    Full Text Available A novel algorithm, called variable weight fuzzy marginal linearization (VWFML method, is proposed. This method can supply approximate analytic and numerical solutions to Lane-Emden equations. And it is easy to be implemented and extended for solving other nonlinear differential equations. Numerical examples are included to demonstrate the validity and applicability of the developed technique.

  1. Approximation of the unsteady Brinkman-Forchheimer equations by the pressure stabilization method

    KAUST Repository

    Louaked, Mohammed

    2017-07-20

    In this work, we propose and analyze the pressure stabilization method for the unsteady incompressible Brinkman-Forchheimer equations. We present a time discretization scheme which can be used with any consistent finite element space approximation. Second-order error estimate is proven. Some numerical results are also given.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2017

  2. Higher-order meshing of implicit geometries, Part II: Approximations on manifolds

    Science.gov (United States)

    Fries, T. P.; Schöllhammer, D.

    2017-11-01

    A new concept for the higher-order accurate approximation of partial differential equations on manifolds is proposed where a surface mesh composed by higher-order elements is automatically generated based on level-set data. Thereby, it enables a completely automatic workflow from the geometric description to the numerical analysis without any user-intervention. A master level-set function defines the shape of the manifold through its zero-isosurface which is then restricted to a finite domain by additional level-set functions. It is ensured that the surface elements are sufficiently continuous and shape regular which is achieved by manipulating the background mesh. The numerical results show that optimal convergence rates are obtained with a moderate increase in the condition number compared to handcrafted surface meshes.

  3. Hypergeometric continuation of divergent perturbation series: II. Comparison with Shanks transformation and Padé approximation

    International Nuclear Information System (INIS)

    Sanders, Sören; Holthaus, Martin

    2017-01-01

    We explore in detail how analytic continuation of divergent perturbation series by generalized hypergeometric functions is achieved in practice. Using the example of strong-coupling perturbation series provided by the two-dimensional Bose–Hubbard model, we compare hypergeometric continuation to Shanks and Padé techniques, and demonstrate that the former yields a powerful, efficient and reliable alternative for computing the phase diagram of the Mott insulator-to-superfluid transition. In contrast to Shanks transformations and Padé approximations, hypergeometric continuation also allows us to determine the exponents which characterize the divergence of correlation functions at the transition points. Therefore, hypergeometric continuation constitutes a promising tool for the study of quantum phase transitions. (paper)

  4. Hypergeometric continuation of divergent perturbation series: II. Comparison with Shanks transformation and Padé approximation

    Science.gov (United States)

    Sanders, Sören; Holthaus, Martin

    2017-11-01

    We explore in detail how analytic continuation of divergent perturbation series by generalized hypergeometric functions is achieved in practice. Using the example of strong-coupling perturbation series provided by the two-dimensional Bose-Hubbard model, we compare hypergeometric continuation to Shanks and Padé techniques, and demonstrate that the former yields a powerful, efficient and reliable alternative for computing the phase diagram of the Mott insulator-to-superfluid transition. In contrast to Shanks transformations and Padé approximations, hypergeometric continuation also allows us to determine the exponents which characterize the divergence of correlation functions at the transition points. Therefore, hypergeometric continuation constitutes a promising tool for the study of quantum phase transitions.

  5. Classical and Quantum Models in Non-Equilibrium Statistical Mechanics: Moment Methods and Long-Time Approximations

    Directory of Open Access Journals (Sweden)

    Ramon F. Alvarez-Estrada

    2012-02-01

    Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.

  6. Low rank approximation method for efficient Green's function calculation of dissipative quantum transport

    Science.gov (United States)

    Zeng, Lang; He, Yu; Povolotskyi, Michael; Liu, XiaoYan; Klimeck, Gerhard; Kubis, Tillmann

    2013-06-01

    In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied to inelastic transport in various semiconductor nanodevices. Detailed benchmarks with exact NEGF solutions show (1) a very good agreement between approximated and exact NEGF results, (2) a significant reduction of the required memory, and (3) a large reduction of the computational time (a factor of speed up as high as 150 times is observed). A non-recursive solution of the inelastic NEGF transport equations of a 1000 nm long resistor on standard hardware illustrates nicely the capability of this new method.

  7. Approximations to the Probability of Failure in Random Vibration by Integral Equation Methods

    DEFF Research Database (Denmark)

    Nielsen, Søren R.K.; Sørensen, John Dalsgaard

    Close approximations to the first passage probability of failure in random vibration can be obtained by integral equation methods. A simple relation exists between the first passage probability density function and the distribution function for the time interval spent below a barrier before...... passage probability density. The results of the theory agree well with simulation results for narrow banded processes dominated by a single frequency, as well as for bimodal processes with 2 dominating frequencies in the structural response....... outcrossing. An integral equation for the probability density function of the time interval is formulated, and adequate approximations for the kernel are suggested. The kernel approximation results in approximate solutions for the probability density function of the time interval, and hence for the first...

  8. A local adaptive method for the numerical approximation in seismic wave modelling

    Directory of Open Access Journals (Sweden)

    Galuzzi Bruno G.

    2017-12-01

    Full Text Available We propose a new numerical approach for the solution of the 2D acoustic wave equation to model the predicted data in the field of active-source seismic inverse problems. This method consists in using an explicit finite difference technique with an adaptive order of approximation of the spatial derivatives that takes into account the local velocity at the grid nodes. Testing our method to simulate the recorded seismograms in a marine seismic acquisition, we found that the low computational time and the low approximation error of the proposed approach make it suitable in the context of seismic inversion problems.

  9. Laplace transform homotopy perturbation method for the approximation of variational problems.

    Science.gov (United States)

    Filobello-Nino, U; Vazquez-Leal, H; Rashidi, M M; Sedighi, H M; Perez-Sesma, A; Sandoval-Hernandez, M; Sarmiento-Reyes, A; Contreras-Hernandez, A D; Pereyra-Diaz, D; Hoyos-Reyes, C; Jimenez-Fernandez, V M; Huerta-Chua, J; Castro-Gonzalez, F; Laguna-Camacho, J R

    2016-01-01

    This article proposes the application of Laplace Transform-Homotopy Perturbation Method and some of its modifications in order to find analytical approximate solutions for the linear and nonlinear differential equations which arise from some variational problems. As case study we will solve four ordinary differential equations, and we will show that the proposed solutions have good accuracy, even we will obtain an exact solution. In the sequel, we will see that the square residual error for the approximate solutions, belongs to the interval [0.001918936920, 0.06334882582], which confirms the accuracy of the proposed methods, taking into account the complexity and difficulty of variational problems.

  10. Rational function approximation method for discrete ordinates problems in slab geometry

    International Nuclear Information System (INIS)

    Leal, Andre Luiz do C.; Barros, Ricardo C.

    2009-01-01

    In this work we use rational function approaches to obtain the transfer functions that appear in the spectral Green's function (SGF) auxiliary equations for one-speed isotropic scattering SN equations in one-dimensional Cartesian geometry. For this task we use the computation of the Pade approximants to compare the results with the standard SGF method's applied to deep penetration problems in homogeneous domains. This work is a preliminary investigation of a new proposal for handling leakage terms that appear in the two transverse integrated one-dimensional SN equations in the exponential SGF method (SGF-ExpN). Numerical results are presented to illustrate the rational function approximation accuracy. (author)

  11. Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations.

    Science.gov (United States)

    López-Tarifa, P; Liguori, Nicoletta; van den Heuvel, Naudin; Croce, Roberta; Visscher, Lucas

    2017-07-19

    The light harvesting complex II (LHCII), is a pigment-protein complex responsible for most of the light harvesting in plants. LHCII harvests sunlight and transfers excitation energy to the reaction centre of the photo-system, where the water oxidation process takes place. The energetics of LHCII can be modulated by means of conformational changes allowing a switch from a harvesting to a quenched state. In this state, the excitation energy is no longer transferred but converted into thermal energy to prevent photooxidation. Based on molecular dynamics simulations at the microsecond time scale, we have recently proposed that the switch between different fluorescent states can be probed by correlating shifts in the chromophore-chromophore Coulomb interactions to particular protein movements. However, these findings are based upon calculations in the ideal point dipole approximation (IDA) where the Coulomb couplings are simplified as first order dipole-dipole interactions, also assuming that the chromophore transition dipole moments lay in particular directions of space with constant moduli (FIX-IDA). In this work, we challenge this approximation using the time-dependent density functional theory (TDDFT) combined with the frozen density embedding (FDE) approach. Our aim is to establish up to which limit FIX-IDA can be applied and which chromophore types are better described under this approximation. For that purpose, we use the classical trajectories of solubilised light harvesting complex II (LHCII) we have recently reported [Liguori et al., Sci. Rep., 2015, 5, 15661] and selected three pairs of chromophores containing chlorophyll and carotenoids (Chl and Car): Chla611-Chla612, Chlb606-Chlb607 and Chla612-Lut620. Using the FDE in the Tamm-Dancoff approximation (FDEc-TDA), we show that IDA is accurate enough for predicting Chl-Chl Coulomb couplings. However, the FIX-IDA largely overestimates Chl-Car interactions mainly because the transition dipole for the Cars is not

  12. An approximate method to calculate ionization of LTE and non-LTE plasma

    International Nuclear Information System (INIS)

    Zhang Jun; Gu Peijun

    1987-01-01

    When matter, especially high Z element, is heated to high temperature, it will be ionized many times. The degree of ionization has a strong effect on many plasma properties. So an approximate method to calculate the mean ionization degree is needed for solving many practical problems. An analytical expression which is convenient for the approximate numerical calculation is given by fitting it to the scaling law and numerical results of the ionization potential of Thomas-Fermi statistical model. In LTE case, the ionization degree of Au calculated by using the approximate method is in agreement with that of the average ion model. By extending the approximate method to non-LTE case, the ionization degree of Au is similarly calculated according to Corona model and Collision-Radiatoin model(C-R). The results of Corona model agree with the published data quite well, while the results of C-R approach those of Corona model as the density is reduced and approach those of LTE as the density is increased. Finally, all approximately calculated results of ionization degree of Au and the comparision of them are given in figures and tables

  13. Higher order analytical approximate solutions to the nonlinear pendulum by He's homotopy method

    International Nuclear Information System (INIS)

    Belendez, A; Pascual, C; Alvarez, M L; Mendez, D I; Yebra, M S; Hernandez, A

    2009-01-01

    A modified He's homotopy perturbation method is used to calculate the periodic solutions of a nonlinear pendulum. The method has been modified by truncating the infinite series corresponding to the first-order approximate solution and substituting a finite number of terms in the second-order linear differential equation. As can be seen, the modified homotopy perturbation method works very well for high values of the initial amplitude. Excellent agreement of the analytical approximate period with the exact period has been demonstrated not only for small but also for large amplitudes A (the relative error is less than 1% for A < 152 deg.). Comparison of the result obtained using this method with the exact ones reveals that this modified method is very effective and convenient.

  14. 26 CFR 1.985-3 - United States dollar approximate separate transactions method.

    Science.gov (United States)

    2010-04-01

    ...). For all purposes of subtitle A, this method of accounting must be used to compute the gross income... in section 989(a)) that has the dollar as its functional currency pursuant to § 1.985-1(b)(2). (2... currency (as defined in § 1.985-1(b)(2)(ii)(D)); (2) Making the adjustments necessary to conform such...

  15. Variational Multi-Scale method with spectral approximation of the sub-scales.

    KAUST Repository

    Dia, Ben Mansour; Chá con-Rebollo, Tomas

    2015-01-01

    A variational multi-scale method where the sub-grid scales are computed by spectral approximations is presented. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base

  16. Variational Multi-Scale method with spectral approximation of the sub-scales.

    KAUST Repository

    Dia, Ben Mansour

    2015-01-07

    A variational multi-scale method where the sub-grid scales are computed by spectral approximations is presented. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a nite number of modes.

  17. An efficient computer based wavelets approximation method to solve Fuzzy boundary value differential equations

    Science.gov (United States)

    Alam Khan, Najeeb; Razzaq, Oyoon Abdul

    2016-03-01

    In the present work a wavelets approximation method is employed to solve fuzzy boundary value differential equations (FBVDEs). Essentially, a truncated Legendre wavelets series together with the Legendre wavelets operational matrix of derivative are utilized to convert FB- VDE into a simple computational problem by reducing it into a system of fuzzy algebraic linear equations. The capability of scheme is investigated on second order FB- VDE considered under generalized H-differentiability. Solutions are represented graphically showing competency and accuracy of this method.

  18. New finite volume methods for approximating partial differential equations on arbitrary meshes

    International Nuclear Information System (INIS)

    Hermeline, F.

    2008-12-01

    This dissertation presents some new methods of finite volume type for approximating partial differential equations on arbitrary meshes. The main idea lies in solving twice the problem to be dealt with. One addresses the elliptic equations with variable (anisotropic, antisymmetric, discontinuous) coefficients, the parabolic linear or non linear equations (heat equation, radiative diffusion, magnetic diffusion with Hall effect), the wave type equations (Maxwell, acoustics), the elasticity and Stokes'equations. Numerous numerical experiments show the good behaviour of this type of method. (author)

  19. Approximate solution of the transport equation by methods of Galerkin type

    International Nuclear Information System (INIS)

    Pitkaranta, J.

    1977-01-01

    Questions of the existence, uniqueness, and convergence of approximate solutions of transport equations by methods of the Galerkin type (where trial and weighting functions are the same) are discussed. The results presented do not exclude the infinite-dimensional case. Two strategies can be followed in the variational approximation of the transport operator: one proceeds from the original form of the transport equation, while the other is based on the partially symmetrized equation. Both principles are discussed in this paper. The transport equation is assumed in a discretized multigroup form

  20. Approximate Dual Averaging Method for Multiagent Saddle-Point Problems with Stochastic Subgradients

    Directory of Open Access Journals (Sweden)

    Deming Yuan

    2014-01-01

    Full Text Available This paper considers the problem of solving the saddle-point problem over a network, which consists of multiple interacting agents. The global objective function of the problem is a combination of local convex-concave functions, each of which is only available to one agent. Our main focus is on the case where the projection steps are calculated approximately and the subgradients are corrupted by some stochastic noises. We propose an approximate version of the standard dual averaging method and show that the standard convergence rate is preserved, provided that the projection errors decrease at some appropriate rate and the noises are zero-mean and have bounded variance.

  1. Approximated calculation of the vacuum wave function and vacuum energy of the LGT with RPA method

    International Nuclear Information System (INIS)

    Hui Ping

    2004-01-01

    The coupled cluster method is improved with the random phase approximation (RPA) to calculate vacuum wave function and vacuum energy of 2 + 1 - D SU(2) lattice gauge theory. In this calculating, the trial wave function composes of single-hollow graphs. The calculated results of vacuum wave functions show very good scaling behaviors at weak coupling region l/g 2 >1.2 from the third order to the sixth order, and the vacuum energy obtained with RPA method is lower than the vacuum energy obtained without RPA method, which means that this method is a more efficient one

  2. Mathematics for natural scientists II advanced methods

    CERN Document Server

    Kantorovich, Lev

    2016-01-01

    This book covers the advanced mathematical techniques useful for physics and engineering students, presented in a form accessible to physics students, avoiding precise mathematical jargon and laborious proofs. Instead, all proofs are given in a simplified form that is clear and convincing for a physicist. Examples, where appropriate, are given from physics contexts. Both solved and unsolved problems are provided in each chapter. Mathematics for Natural Scientists II: Advanced Methods is the second of two volumes. It follows the first volume on Fundamentals and Basics.

  3. Application of simple approximate system analysis methods for reliability and availability improvement of reactor WWER-1000

    International Nuclear Information System (INIS)

    Manchev, B.; Marinova, B.; Nenkova, B.

    2001-01-01

    The method described on this report provides a set of simple, easily understood 'approximate' models applicable to a large class of system architectures. Constructing a Markov model of each redundant subsystem and its replacement after that by a pseudo-component develops the approximation models. Of equal importance, the models can be easily understood even of non-experts, including managers, high-level decision-makers and unsophisticated consumers. A necessary requirement for their application is the systems to be repairable and the mean time to repair to be much smaller than the mean time to failure. This ia a case most often met in the real practice. Results of the 'approximate' model application on a technological system of Kozloduy NPP are also presented. The results obtained can be compared quite favorably with the results obtained by using SAPHIRE software

  4. Approximating distributions from moments

    Science.gov (United States)

    Pawula, R. F.

    1987-11-01

    A method based upon Pearson-type approximations from statistics is developed for approximating a symmetric probability density function from its moments. The extended Fokker-Planck equation for non-Markov processes is shown to be the underlying foundation for the approximations. The approximation is shown to be exact for the beta probability density function. The applicability of the general method is illustrated by numerous pithy examples from linear and nonlinear filtering of both Markov and non-Markov dichotomous noise. New approximations are given for the probability density function in two cases in which exact solutions are unavailable, those of (i) the filter-limiter-filter problem and (ii) second-order Butterworth filtering of the random telegraph signal. The approximate results are compared with previously published Monte Carlo simulations in these two cases.

  5. APPROX, 1-D and 2-D Function Approximation by Polynomials, Splines, Finite Elements Method

    International Nuclear Information System (INIS)

    Tollander, Bengt

    1975-01-01

    1 - Nature of physical problem solved: Approximates one- and two- dimensional functions using different forms of the approximating function, as polynomials, rational functions, Splines and (or) the finite element method. Different kinds of transformations of the dependent and (or) the independent variables can easily be made by data cards using a FORTRAN-like language. 2 - Method of solution: Approximations by polynomials, Splines and (or) the finite element method are made in L2 norm using the least square method by which the answer is directly given. For rational functions in one dimension the result given in L(infinite) norm is achieved by iterations moving the zero points of the error curve. For rational functions in two dimensions, the norm is L2 and the result is achieved by iteratively changing the coefficients of the denominator and then solving the coefficients of the numerator by the least square method. The transformation of the dependent and (or) independent variables is made by compiling the given transform data card(s) to an array of integers from which the transformation can be made

  6. Effect of flux discontinuity on spatial approximations for discrete ordinates methods

    International Nuclear Information System (INIS)

    Duo, J.I.; Azmy, Y.Y.

    2005-01-01

    This work presents advances on error analysis of the spatial approximation of the discrete ordinates method for solving the neutron transport equation. Error norms for different non-collided flux problems over a two dimensional pure absorber medium are evaluated using three numerical methods. The problems are characterized by the incoming flux boundary conditions to obtain solutions with different level of differentiability. The three methods considered are the Diamond Difference (DD) method, the Arbitrarily High Order Transport method of the Nodal type (AHOT-N), and of the Characteristic type (AHOT-C). The last two methods are employed in constant, linear and quadratic orders of spatial approximation. The cell-wise error is computed as the difference between the cell-averaged flux computed by each method and the exact value, then the L 1 , L 2 , and L ∞ error norms are calculated. The results of this study demonstrate that the level of differentiability of the exact solution profoundly affects the rate of convergence of the numerical methods' solutions. Furthermore, in the case of discontinuous exact flux the methods fail to converge in the maximum error norm, or in the pointwise sense, in accordance with previous local error analysis. (authors)

  7. Short overview of PSA quantification methods, pitfalls on the road from approximate to exact results

    International Nuclear Information System (INIS)

    Banov, Reni; Simic, Zdenko; Sterc, Davor

    2014-01-01

    Over time the Probabilistic Safety Assessment (PSA) models have become an invaluable companion in the identification and understanding of key nuclear power plant (NPP) vulnerabilities. PSA is an effective tool for this purpose as it assists plant management to target resources where the largest benefit for plant safety can be obtained. PSA has quickly become an established technique to numerically quantify risk measures in nuclear power plants. As complexity of PSA models increases, the computational approaches become more or less feasible. The various computational approaches can be basically classified in two major groups: approximate and exact (BDD based) methods. In recent time modern commercially available PSA tools started to provide both methods for PSA model quantification. Besides availability of both methods in proven PSA tools the usage must still be taken carefully since there are many pitfalls which can drive to wrong conclusions and prevent efficient usage of PSA tool. For example, typical pitfalls involve the usage of higher precision approximation methods and getting a less precise result, or mixing minimal cuts and prime implicants in the exact computation method. The exact methods are sensitive to selected computational paths in which case a simple human assisted rearrangement may help and even switch from computationally non-feasible to feasible methods. Further improvements to exact method are possible and desirable which opens space for a new research. In this paper we will show how these pitfalls may be detected and how carefully actions must be done especially when working with large PSA models. (authors)

  8. Born approximation to a perturbative numerical method for the solution of the Schroedinger equation

    International Nuclear Information System (INIS)

    Adam, Gh.

    1978-01-01

    A step function perturbative numerical method (SF-PN method) is developed for the solution of the Cauchy problem for the second order liniar differential equation in normal form. An important point stressed in the present paper, which seems to have been previously ignored in the literature devoted to the PN methods, is the close connection between the first order perturbation theory of the PN approach and the wellknown Born approximation, and, in general, the connection between the varjous orders of the PN corrections and the Neumann series. (author)

  9. Approximate Solutions of Nonlinear Partial Differential Equations by Modified q-Homotopy Analysis Method

    Directory of Open Access Journals (Sweden)

    Shaheed N. Huseen

    2013-01-01

    Full Text Available A modified q-homotopy analysis method (mq-HAM was proposed for solving nth-order nonlinear differential equations. This method improves the convergence of the series solution in the nHAM which was proposed in (see Hassan and El-Tawil 2011, 2012. The proposed method provides an approximate solution by rewriting the nth-order nonlinear differential equation in the form of n first-order differential equations. The solution of these n differential equations is obtained as a power series solution. This scheme is tested on two nonlinear exactly solvable differential equations. The results demonstrate the reliability and efficiency of the algorithm developed.

  10. The auxiliary field method and approximate analytical solutions of the Schroedinger equation with exponential potentials

    Energy Technology Data Exchange (ETDEWEB)

    Silvestre-Brac, Bernard [LPSC Universite Joseph Fourier, Grenoble 1, CNRS/IN2P3, Institut Polytechnique de Grenoble, Avenue des Martyrs 53, F-38026 Grenoble-Cedex (France); Semay, Claude; Buisseret, Fabien [Groupe de Physique Nucleaire Theorique, Universite de Mons-Hainaut, Academie universitaire Wallonie-Bruxelles, Place du Parc 20, B-7000 Mons (Belgium)], E-mail: silvestre@lpsc.in2p3.fr, E-mail: claude.semay@umh.ac.be, E-mail: fabien.buisseret@umh.ac.be

    2009-06-19

    The auxiliary field method is a new and efficient way to compute approximate analytical eigenenergies of the Schroedinger equation. This method has already been successfully applied to the case of central potentials of power-law and logarithmic forms. In the present work, we show that the Schroedinger equation with exponential potentials of the form -{alpha}r{sup {lambda}}exp(-{beta}r) can also be analytically solved by using the auxiliary field method. Closed formulae giving the critical heights and the energy levels of these potentials are presented. Special attention is drawn to the Yukawa potential and the pure exponential potential.

  11. The auxiliary field method and approximate analytical solutions of the Schroedinger equation with exponential potentials

    International Nuclear Information System (INIS)

    Silvestre-Brac, Bernard; Semay, Claude; Buisseret, Fabien

    2009-01-01

    The auxiliary field method is a new and efficient way to compute approximate analytical eigenenergies of the Schroedinger equation. This method has already been successfully applied to the case of central potentials of power-law and logarithmic forms. In the present work, we show that the Schroedinger equation with exponential potentials of the form -αr λ exp(-βr) can also be analytically solved by using the auxiliary field method. Closed formulae giving the critical heights and the energy levels of these potentials are presented. Special attention is drawn to the Yukawa potential and the pure exponential potential

  12. The Pade approximate method for solving problems in plasma kinetic theory

    International Nuclear Information System (INIS)

    Jasperse, J.R.; Basu, B.

    1992-01-01

    The method of Pade Approximates has been a powerful tool in solving for the time dependent propagator (Green function) in model quantum field theories. We have developed a modified Pade method which we feel has promise for solving linearized collisional and weakly nonlinear problems in plasma kinetic theory. In order to illustrate the general applicability of the method, in this paper we discuss Pade solutions for the linearized collisional propagator and the collisional dielectric function for a model collisional problem. (author) 3 refs., 2 tabs

  13. Comparison of the methods for discrete approximation of the fractional-order operator

    Directory of Open Access Journals (Sweden)

    Zborovjan Martin

    2003-12-01

    Full Text Available In this paper we will present some alternative types of discretization methods (discrete approximation for the fractional-order (FO differentiator and their application to the FO dynamical system described by the FO differential equation (FDE. With analytical solution and numerical solution by power series expansion (PSE method are compared two effective methods - the Muir expansion of the Tustin operator and continued fraction expansion method (CFE with the Tustin operator and the Al-Alaoui operator. Except detailed mathematical description presented are also simulation results. From the Bode plots of the FO differentiator and FDE and from the solution in the time domain we can see, that the CFE is a more effective method according to the PSE method, but there are some restrictions for the choice of the time step. The Muir expansion is almost unusable.

  14. A Resampling-Based Stochastic Approximation Method for Analysis of Large Geostatistical Data

    KAUST Repository

    Liang, Faming

    2013-03-01

    The Gaussian geostatistical model has been widely used in modeling of spatial data. However, it is challenging to computationally implement this method because it requires the inversion of a large covariance matrix, particularly when there is a large number of observations. This article proposes a resampling-based stochastic approximation method to address this challenge. At each iteration of the proposed method, a small subsample is drawn from the full dataset, and then the current estimate of the parameters is updated accordingly under the framework of stochastic approximation. Since the proposed method makes use of only a small proportion of the data at each iteration, it avoids inverting large covariance matrices and thus is scalable to large datasets. The proposed method also leads to a general parameter estimation approach, maximum mean log-likelihood estimation, which includes the popular maximum (log)-likelihood estimation (MLE) approach as a special case and is expected to play an important role in analyzing large datasets. Under mild conditions, it is shown that the estimator resulting from the proposed method converges in probability to a set of parameter values of equivalent Gaussian probability measures, and that the estimator is asymptotically normally distributed. To the best of the authors\\' knowledge, the present study is the first one on asymptotic normality under infill asymptotics for general covariance functions. The proposed method is illustrated with large datasets, both simulated and real. Supplementary materials for this article are available online. © 2013 American Statistical Association.

  15. 3-D numerical investigation of subsurface flow in anisotropic porous media using multipoint flux approximation method

    KAUST Repository

    Negara, Ardiansyah

    2013-01-01

    Anisotropy of hydraulic properties of subsurface geologic formations is an essential feature that has been established as a consequence of the different geologic processes that they undergo during the longer geologic time scale. With respect to petroleum reservoirs, in many cases, anisotropy plays significant role in dictating the direction of flow that becomes no longer dependent only on the pressure gradient direction but also on the principal directions of anisotropy. Furthermore, in complex systems involving the flow of multiphase fluids in which the gravity and the capillarity play an important role, anisotropy can also have important influences. Therefore, there has been great deal of motivation to consider anisotropy when solving the governing conservation laws numerically. Unfortunately, the two-point flux approximation of finite difference approach is not capable of handling full tensor permeability fields. Lately, however, it has been possible to adapt the multipoint flux approximation that can handle anisotropy to the framework of finite difference schemes. In multipoint flux approximation method, the stencil of approximation is more involved, i.e., it requires the involvement of 9-point stencil for the 2-D model and 27-point stencil for the 3-D model. This is apparently challenging and cumbersome when making the global system of equations. In this work, we apply the equation-type approach, which is the experimenting pressure field approach that enables the solution of the global problem breaks into the solution of multitude of local problems that significantly reduce the complexity without affecting the accuracy of numerical solution. This approach also leads in reducing the computational cost during the simulation. We have applied this technique to a variety of anisotropy scenarios of 3-D subsurface flow problems and the numerical results demonstrate that the experimenting pressure field technique fits very well with the multipoint flux approximation

  16. A method for the approximate solutions of the unsteady boundary layer equations

    International Nuclear Information System (INIS)

    Abdus Sattar, Md.

    1990-12-01

    The approximate integral method proposed by Bianchini et al. to solve the unsteady boundary layer equations is considered here with a simple modification to the scale function for the similarity variable. This is done by introducing a time dependent length scale. The closed form solutions, thus obtained, give satisfactory results for the velocity profile and the skin friction to a limiting case in comparison with the results of the past investigators. (author). 7 refs, 2 figs

  17. Approximate method for calculating heat conditions in the magnetic circuits of transformers and betatrons

    International Nuclear Information System (INIS)

    Loginov, V.S.

    1986-01-01

    A technique for engineering design of two-dimensional stationary temperature field of rectangular cross section blending pile with inner heat release under nonsymmetrical cooling conditions is suggested. Area of its practical application is determined on the basis of experimental data known in literature. Different methods for calculating temperature distribution in betatron magnetic circuit are compared. Graph of maximum temperature calculation error on the basis of approximated expressions with respect to exact solution is given

  18. Low rank approximation methods for MR fingerprinting with large scale dictionaries.

    Science.gov (United States)

    Yang, Mingrui; Ma, Dan; Jiang, Yun; Hamilton, Jesse; Seiberlich, Nicole; Griswold, Mark A; McGivney, Debra

    2018-04-01

    This work proposes new low rank approximation approaches with significant memory savings for large scale MR fingerprinting (MRF) problems. We introduce a compressed MRF with randomized singular value decomposition method to significantly reduce the memory requirement for calculating a low rank approximation of large sized MRF dictionaries. We further relax this requirement by exploiting the structures of MRF dictionaries in the randomized singular value decomposition space and fitting them to low-degree polynomials to generate high resolution MRF parameter maps. In vivo 1.5T and 3T brain scan data are used to validate the approaches. T 1 , T 2 , and off-resonance maps are in good agreement with that of the standard MRF approach. Moreover, the memory savings is up to 1000 times for the MRF-fast imaging with steady-state precession sequence and more than 15 times for the MRF-balanced, steady-state free precession sequence. The proposed compressed MRF with randomized singular value decomposition and dictionary fitting methods are memory efficient low rank approximation methods, which can benefit the usage of MRF in clinical settings. They also have great potentials in large scale MRF problems, such as problems considering multi-component MRF parameters or high resolution in the parameter space. Magn Reson Med 79:2392-2400, 2018. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

  19. Reduced-rank approximations to the far-field transform in the gridded fast multipole method

    Science.gov (United States)

    Hesford, Andrew J.; Waag, Robert C.

    2011-05-01

    The fast multipole method (FMM) has been shown to have a reduced computational dependence on the size of finest-level groups of elements when the elements are positioned on a regular grid and FFT convolution is used to represent neighboring interactions. However, transformations between plane-wave expansions used for FMM interactions and pressure distributions used for neighboring interactions remain significant contributors to the cost of FMM computations when finest-level groups are large. The transformation operators, which are forward and inverse Fourier transforms with the wave space confined to the unit sphere, are smooth and well approximated using reduced-rank decompositions that further reduce the computational dependence of the FMM on finest-level group size. The adaptive cross approximation (ACA) is selected to represent the forward and adjoint far-field transformation operators required by the FMM. However, the actual error of the ACA is found to be greater than that predicted using traditional estimates, and the ACA generally performs worse than the approximation resulting from a truncated singular-value decomposition (SVD). To overcome these issues while avoiding the cost of a full-scale SVD, the ACA is employed with more stringent accuracy demands and recompressed using a reduced, truncated SVD. The results show a greatly reduced approximation error that performs comparably to the full-scale truncated SVD without degrading the asymptotic computational efficiency associated with ACA matrix assembly.

  20. Approximation methods for the stability analysis of complete synchronization on duplex networks

    Science.gov (United States)

    Han, Wenchen; Yang, Junzhong

    2018-01-01

    Recently, the synchronization on multi-layer networks has drawn a lot of attention. In this work, we study the stability of the complete synchronization on duplex networks. We investigate effects of coupling function on the complete synchronization on duplex networks. We propose two approximation methods to deal with the stability of the complete synchronization on duplex networks. In the first method, we introduce a modified master stability function and, in the second method, we only take into consideration the contributions of a few most unstable transverse modes to the stability of the complete synchronization. We find that both methods work well for predicting the stability of the complete synchronization for small networks. For large networks, the second method still works pretty well.

  1. Low-complexity computation of plate eigenmodes with Vekua approximations and the method of particular solutions

    Science.gov (United States)

    Chardon, Gilles; Daudet, Laurent

    2013-11-01

    This paper extends the method of particular solutions (MPS) to the computation of eigenfrequencies and eigenmodes of thin plates, in the framework of the Kirchhoff-Love plate theory. Specific approximation schemes are developed, with plane waves (MPS-PW) or Fourier-Bessel functions (MPS-FB). This framework also requires a suitable formulation of the boundary conditions. Numerical tests, on two plates with various boundary conditions, demonstrate that the proposed approach provides competitive results with standard numerical schemes such as the finite element method, at reduced complexity, and with large flexibility in the implementation choices.

  2. Exact and approximate interior corner problem in neutron diffusion by integral transform methods

    International Nuclear Information System (INIS)

    Bareiss, E.H.; Chang, K.S.J.; Constatinescu, D.A.

    1976-09-01

    The mathematical solution of the neutron diffusion equation exhibits singularities in its derivatives at material corners. A mathematical treatment of the nature of these singularities and its impact on coarse network approximation methods in computational work is presented. The mathematical behavior is deduced from Green's functions, based on a generalized theory for two space dimensions, and the resulting systems of integral equations, as well as from the Kontorovich--Lebedev Transform. The effect on numerical calculations is demonstrated for finite difference and finite element methods for a two-region corner problem

  3. S-curve networks and an approximate method for estimating degree distributions of complex networks

    International Nuclear Information System (INIS)

    Guo Jin-Li

    2010-01-01

    In the study of complex networks almost all theoretical models have the property of infinite growth, but the size of actual networks is finite. According to statistics from the China Internet IPv4 (Internet Protocol version 4) addresses, this paper proposes a forecasting model by using S curve (logistic curve). The growing trend of IPv4 addresses in China is forecasted. There are some reference values for optimizing the distribution of IPv4 address resource and the development of IPv6. Based on the laws of IPv4 growth, that is, the bulk growth and the finitely growing limit, it proposes a finite network model with a bulk growth. The model is said to be an S-curve network. Analysis demonstrates that the analytic method based on uniform distributions (i.e., Barabási-Albert method) is not suitable for the network. It develops an approximate method to predict the growth dynamics of the individual nodes, and uses this to calculate analytically the degree distribution and the scaling exponents. The analytical result agrees with the simulation well, obeying an approximately power-law form. This method can overcome a shortcoming of Barabási-Albert method commonly used in current network research. (general)

  4. S-curve networks and an approximate method for estimating degree distributions of complex networks

    Science.gov (United States)

    Guo, Jin-Li

    2010-12-01

    In the study of complex networks almost all theoretical models have the property of infinite growth, but the size of actual networks is finite. According to statistics from the China Internet IPv4 (Internet Protocol version 4) addresses, this paper proposes a forecasting model by using S curve (logistic curve). The growing trend of IPv4 addresses in China is forecasted. There are some reference values for optimizing the distribution of IPv4 address resource and the development of IPv6. Based on the laws of IPv4 growth, that is, the bulk growth and the finitely growing limit, it proposes a finite network model with a bulk growth. The model is said to be an S-curve network. Analysis demonstrates that the analytic method based on uniform distributions (i.e., Barabási-Albert method) is not suitable for the network. It develops an approximate method to predict the growth dynamics of the individual nodes, and uses this to calculate analytically the degree distribution and the scaling exponents. The analytical result agrees with the simulation well, obeying an approximately power-law form. This method can overcome a shortcoming of Barabási-Albert method commonly used in current network research.

  5. A simple method to approximate liver size on cross-sectional images using living liver models

    International Nuclear Information System (INIS)

    Muggli, D.; Mueller, M.A.; Karlo, C.; Fornaro, J.; Marincek, B.; Frauenfelder, T.

    2009-01-01

    Aim: To assess whether a simple. diameter-based formula applicable to cross-sectional images can be used to calculate the total liver volume. Materials and methods: On 119 cross-sectional examinations (62 computed tomography and 57 magnetic resonance imaging) a simple, formula-based method to approximate the liver volume was evaluated. The total liver volume was approximated measuring the largest craniocaudal (cc), ventrodorsal (vd), and coronal (cor) diameters by two readers and implementing the equation: Vol estimated =ccxvdxcorx0.31. Inter-rater reliability, agreement, and correlation between liver volume calculation and virtual liver volumetry were analysed. Results: No significant disagreement between the two readers was found. The formula correlated significantly with the volumetric data (r > 0.85, p < 0.0001). In 81% of cases the error of the approximated volume was <10% and in 92% of cases <15% compared to the volumetric data. Conclusion: Total liver volume can be accurately estimated on cross-sectional images using a simple, diameter-based equation.

  6. Strained coordinate methods in rotating stars. II

    International Nuclear Information System (INIS)

    Smith, B.L.

    1977-01-01

    It was shown in a previous paper (Smith, 1976) that the method of strained coordinates may be usefully employed in the determination of the structure of rotating polytropes. In the present work this idea is extended to Main-Sequence stars with conservative centrifugal fields. The structure variables, pressure, density and temperature are considered pure functions of an auxiliary coordinate s (the strained coordinate) and the governing equations written in a form that closely resembles the structure equations for spherical stars but with the correction factors that are functions of s. A systematic, order-by-order derivation of these factors is outlined and applied in detail to a Cowling-model star in uniform rotation. The techniques can be extended beyond first order and external boundary conditions are applied, as they should be, at the true surface of the star. Roche approximations are not needed. (Auth.)

  7. Screened Coulomb interactions in metallic alloys. II. Screening beyond the single-site and atomic-sphere approximations

    DEFF Research Database (Denmark)

    Ruban, Andrei; Simak, S.I.; Korzhavyi, P.A.

    2002-01-01

    -electron potential and energy. In the case of a random alloy such interactions can be accounted for only by lifting the atomic-sphere and single-site approximations, in order to include the polarization due to local environment effects. Nevertheless, a simple parametrization of the screened Coulomb interactions...... for the ordinary single-site methods, including the generalized perturbation method, is still possible. We obtained such a parametrization for bulk and surface NiPt alloys, which allows one to obtain quantitatively accurate effective interactions in this system....

  8. Approximate method for stochastic chemical kinetics with two-time scales by chemical Langevin equations

    International Nuclear Information System (INIS)

    Wu, Fuke; Tian, Tianhai; Rawlings, James B.; Yin, George

    2016-01-01

    The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in the work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.

  9. A Comparison between Effective Cross Section Calculations using the Intermediate Resonance Approximation and More Exact Methods

    Energy Technology Data Exchange (ETDEWEB)

    Haeggblom, H

    1969-02-15

    In order to investigate some aspects of the 'Intermediate Resonance Approximation' developed by Goldstein and Cohen, comparative calculations have been made using this method together with more accurate methods. The latter are as follows: a) For homogeneous materials the slowing down equation is solved in the fundamental mode approximation with the computer programme SPENG. All cross sections are given point by point. Because the spectrum can be calculated for at most 2000 energy points, the energy regions where the resonances are accurately described are limited. Isolated resonances in the region 100 to 240 eV are studied for {sup 238}U/Fe and {sup 238}U/Fe/Na mixtures. In the regions 161 to 251 eV and 701 to 1000 eV, mixtures of {sup 238}U and Na are investigated. {sup 239}Pu/Na and {sup 239}Pu/{sup 238}U/Na mixtures are studied in the region 161 to 251 eV. b) For heterogeneous compositions in slab geometry the integral transport equation is solved using the FLIS programme in 22 energy groups. Thus, only one resonance can be considered in each calculation. Two resonances are considered, namely those belonging to {sup 238}U at 190 and 937 eV. The compositions are lattices of {sup 238}U and Fe plates. The computer programme DORIX is used for the calculations using the Intermediate Resonance Approximation. Calculations of reaction rates and effective cross sections are made at 0, 300 and 1100 deg K for homogeneous media and at 300 deg K for heterogeneous media. The results are compared to those obtained by using the programmes SPENG and FLIS and using the narrow resonance approximation.

  10. Arrival-time picking method based on approximate negentropy for microseismic data

    Science.gov (United States)

    Li, Yue; Ni, Zhuo; Tian, Yanan

    2018-05-01

    Accurate and dependable picking of the first arrival time for microseismic data is an important part in microseismic monitoring, which directly affects analysis results of post-processing. This paper presents a new method based on approximate negentropy (AN) theory for microseismic arrival time picking in condition of much lower signal-to-noise ratio (SNR). According to the differences in information characteristics between microseismic data and random noise, an appropriate approximation of negentropy function is selected to minimize the effect of SNR. At the same time, a weighted function of the differences between maximum and minimum value of AN spectrum curve is designed to obtain a proper threshold function. In this way, the region of signal and noise is distinguished to pick the first arrival time accurately. To demonstrate the effectiveness of AN method, we make many experiments on a series of synthetic data with different SNR from -1 dB to -12 dB and compare it with previously published Akaike information criterion (AIC) and short/long time average ratio (STA/LTA) methods. Experimental results indicate that these three methods can achieve well picking effect when SNR is from -1 dB to -8 dB. However, when SNR is as low as -8 dB to -12 dB, the proposed AN method yields more accurate and stable picking result than AIC and STA/LTA methods. Furthermore, the application results of real three-component microseismic data also show that the new method is superior to the other two methods in accuracy and stability.

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

    Energy Technology Data Exchange (ETDEWEB)

    Shu, Yu-Chen, E-mail: ycshu@mail.ncku.edu.tw [Department of Mathematics, National Cheng Kung University, Tainan 701, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (South), Tainan 701, Taiwan (China); Chern, I-Liang, E-mail: chern@math.ntu.edu.tw [Department of Applied Mathematics, National Chiao Tung University, Hsin Chu 300, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China); Mathematics Division, National Center for Theoretical Sciences (Taipei Office), Taipei 106, Taiwan (China); Chang, Chien C., E-mail: mechang@iam.ntu.edu.tw [Institute of Applied Mechanics, National Taiwan University, Taipei 106, Taiwan (China); Department of Mathematics, National Taiwan University, Taipei 106, Taiwan (China)

    2014-10-15

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

  12. Study on Feasibility of Applying Function Approximation Moment Method to Achieve Reliability-Based Design Optimization

    International Nuclear Information System (INIS)

    Huh, Jae Sung; Kwak, Byung Man

    2011-01-01

    Robust optimization or reliability-based design optimization are some of the methodologies that are employed to take into account the uncertainties of a system at the design stage. For applying such methodologies to solve industrial problems, accurate and efficient methods for estimating statistical moments and failure probability are required, and further, the results of sensitivity analysis, which is needed for searching direction during the optimization process, should also be accurate. The aim of this study is to employ the function approximation moment method into the sensitivity analysis formulation, which is expressed as an integral form, to verify the accuracy of the sensitivity results, and to solve a typical problem of reliability-based design optimization. These results are compared with those of other moment methods, and the feasibility of the function approximation moment method is verified. The sensitivity analysis formula with integral form is the efficient formulation for evaluating sensitivity because any additional function calculation is not needed provided the failure probability or statistical moments are calculated

  13. Combined Forecasting Method of Landslide Deformation Based on MEEMD, Approximate Entropy, and WLS-SVM

    Directory of Open Access Journals (Sweden)

    Shaofeng Xie

    2017-01-01

    Full Text Available Given the chaotic characteristics of the time series of landslides, a new method based on modified ensemble empirical mode decomposition (MEEMD, approximate entropy and the weighted least square support vector machine (WLS-SVM was proposed. The method mainly started from the chaotic sequence of time-frequency analysis and improved the model performance as follows: first a deformation time series was decomposed into a series of subsequences with significantly different complexity using MEEMD. Then the approximate entropy method was used to generate a new subsequence for the combination of subsequences with similar complexity, which could effectively concentrate the component feature information and reduce the computational scale. Finally the WLS-SVM prediction model was established for each new subsequence. At the same time, phase space reconstruction theory and the grid search method were used to select the input dimension and the optimal parameters of the model, and then the superposition of each predicted value was the final forecasting result. Taking the landslide deformation data of Danba as an example, the experiments were carried out and compared with wavelet neural network, support vector machine, least square support vector machine and various combination schemes. The experimental results show that the algorithm has high prediction accuracy. It can ensure a better prediction effect even in landslide deformation periods of rapid fluctuation, and it can also better control the residual value and effectively reduce the error interval.

  14. On the Application of Iterative Methods of Nondifferentiable Optimization to Some Problems of Approximation Theory

    Directory of Open Access Journals (Sweden)

    Stefan M. Stefanov

    2014-01-01

    Full Text Available We consider the data fitting problem, that is, the problem of approximating a function of several variables, given by tabulated data, and the corresponding problem for inconsistent (overdetermined systems of linear algebraic equations. Such problems, connected with measurement of physical quantities, arise, for example, in physics, engineering, and so forth. A traditional approach for solving these two problems is the discrete least squares data fitting method, which is based on discrete l2-norm. In this paper, an alternative approach is proposed: with each of these problems, we associate a nondifferentiable (nonsmooth unconstrained minimization problem with an objective function, based on discrete l1- and/or l∞-norm, respectively; that is, these two norms are used as proximity criteria. In other words, the problems under consideration are solved by minimizing the residual using these two norms. Respective subgradients are calculated, and a subgradient method is used for solving these two problems. The emphasis is on implementation of the proposed approach. Some computational results, obtained by an appropriate iterative method, are given at the end of the paper. These results are compared with the results, obtained by the iterative gradient method for the corresponding “differentiable” discrete least squares problems, that is, approximation problems based on discrete l2-norm.

  15. Fast Multipole Method as a Matrix-Free Hierarchical Low-Rank Approximation

    KAUST Repository

    Yokota, Rio

    2018-01-03

    There has been a large increase in the amount of work on hierarchical low-rank approximation methods, where the interest is shared by multiple communities that previously did not intersect. This objective of this article is two-fold; to provide a thorough review of the recent advancements in this field from both analytical and algebraic perspectives, and to present a comparative benchmark of two highly optimized implementations of contrasting methods for some simple yet representative test cases. The first half of this paper has the form of a survey paper, to achieve the former objective. We categorize the recent advances in this field from the perspective of compute-memory tradeoff, which has not been considered in much detail in this area. Benchmark tests reveal that there is a large difference in the memory consumption and performance between the different methods.

  16. Fast Multipole Method as a Matrix-Free Hierarchical Low-Rank Approximation

    KAUST Repository

    Yokota, Rio; Ibeid, Huda; Keyes, David E.

    2018-01-01

    There has been a large increase in the amount of work on hierarchical low-rank approximation methods, where the interest is shared by multiple communities that previously did not intersect. This objective of this article is two-fold; to provide a thorough review of the recent advancements in this field from both analytical and algebraic perspectives, and to present a comparative benchmark of two highly optimized implementations of contrasting methods for some simple yet representative test cases. The first half of this paper has the form of a survey paper, to achieve the former objective. We categorize the recent advances in this field from the perspective of compute-memory tradeoff, which has not been considered in much detail in this area. Benchmark tests reveal that there is a large difference in the memory consumption and performance between the different methods.

  17. Approximate Methods for the Generation of Dark Matter Halo Catalogs in the Age of Precision Cosmology

    Directory of Open Access Journals (Sweden)

    Pierluigi Monaco

    2016-10-01

    Full Text Available Precision cosmology has recently triggered new attention on the topic of approximate methods for the clustering of matter on large scales, whose foundations date back to the period from the late 1960s to early 1990s. Indeed, although the prospect of reaching sub-percent accuracy in the measurement of clustering poses a challenge even to full N-body simulations, an accurate estimation of the covariance matrix of clustering statistics, not to mention the sampling of parameter space, requires usage of a large number (hundreds in the most favourable cases of simulated (mock galaxy catalogs. Combination of few N-body simulations with a large number of realizations performed with approximate methods gives the most promising approach to solve these problems with a reasonable amount of resources. In this paper I review this topic, starting from the foundations of the methods, then going through the pioneering efforts of the 1990s, and finally presenting the latest extensions and a few codes that are now being used in present-generation surveys and thoroughly tested to assess their performance in the context of future surveys.

  18. The local quantum-mechanical stress tensor in Thomas-Fermi approximation and gradient expansion method

    International Nuclear Information System (INIS)

    Kaschner, R.; Graefenstein, J.; Ziesche, P.

    1988-12-01

    From the local momentum balance using density functional theory an expression for the local quantum-mechanical stress tensor (or stress field) σ(r) of non-relativistic Coulomb systems is found out within the Thomas-Fermi approximation and its generalizations including gradient expansion method. As an illustration the stress field σ(r) is calculated for the jellium model of the interface K-Cs, containing especially the adhesive force between the two half-space jellia. (author). 23 refs, 1 fig

  19. A Method for Generating Approximate Similarity Solutions of Nonlinear Partial Differential Equations

    Directory of Open Access Journals (Sweden)

    Mazhar Iqbal

    2014-01-01

    Full Text Available Standard application of similarity method to find solutions of PDEs mostly results in reduction to ODEs which are not easily integrable in terms of elementary or tabulated functions. Such situations usually demand solving reduced ODEs numerically. However, there are no systematic procedures available to utilize these numerical solutions of reduced ODE to obtain the solution of original PDE. A practical and tractable approach is proposed to deal with such situations and is applied to obtain approximate similarity solutions to different cases of an initial-boundary value problem of unsteady gas flow through a semi-infinite porous medium.

  20. A New Approximation Method for Solving Variational Inequalities and Fixed Points of Nonexpansive Mappings

    Directory of Open Access Journals (Sweden)

    Klin-eam Chakkrid

    2009-01-01

    Full Text Available Abstract A new approximation method for solving variational inequalities and fixed points of nonexpansive mappings is introduced and studied. We prove strong convergence theorem of the new iterative scheme to a common element of the set of fixed points of nonexpansive mapping and the set of solutions of the variational inequality for the inverse-strongly monotone mapping which solves some variational inequalities. Moreover, we apply our main result to obtain strong convergence to a common fixed point of nonexpansive mapping and strictly pseudocontractive mapping in a Hilbert space.

  1. Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics

    Science.gov (United States)

    Wang, Yu; Chou, Chia-Chun

    2018-05-01

    The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative propagation method for the complex actions and their spatial derivatives for wave packets moving on each of the coupled electronic potential surfaces. These equations for two surfaces are converted into the moving frame with the same grid point velocities. Excellent wave functions can be obtained by making use of the superposition principle even when nodes develop in wave packet scattering.

  2. The generalized successive approximation and Padé Approximants method for solving an elasticity problem of based on the elastic ground with variable coefficients

    Directory of Open Access Journals (Sweden)

    Mustafa Bayram

    2017-01-01

    Full Text Available In this study, we have applied a generalized successive numerical technique to solve the elasticity problem of based on the elastic ground with variable coefficient. In the first stage, we have calculated the generalized successive approximation of being given BVP and in the second stage we have transformed it into Padé series. At the end of study a test problem has been given to clarify the method.

  3. An improved corrective smoothed particle method approximation for second‐order derivatives

    NARCIS (Netherlands)

    Korzilius, S.P.; Schilders, W.H.A.; Anthonissen, M.J.H.

    2013-01-01

    To solve (partial) differential equations it is necessary to have good numerical approximations. In SPH, most approximations suffer from the presence of boundaries. In this work a new approximation for the second-order derivative is derived and numerically compared with two other approximation

  4. On the optimal polynomial approximation of stochastic PDEs by galerkin and collocation methods

    KAUST Repository

    Beck, Joakim; Tempone, Raul; Nobile, Fabio; Tamellini, Lorenzo

    2012-01-01

    In this work we focus on the numerical approximation of the solution u of a linear elliptic PDE with stochastic coefficients. The problem is rewritten as a parametric PDE and the functional dependence of the solution on the parameters is approximated by multivariate polynomials. We first consider the stochastic Galerkin method, and rely on sharp estimates for the decay of the Fourier coefficients of the spectral expansion of u on an orthogonal polynomial basis to build a sequence of polynomial subspaces that features better convergence properties, in terms of error versus number of degrees of freedom, than standard choices such as Total Degree or Tensor Product subspaces. We consider then the Stochastic Collocation method, and use the previous estimates to introduce a new class of Sparse Grids, based on the idea of selecting a priori the most profitable hierarchical surpluses, that, again, features better convergence properties compared to standard Smolyak or tensor product grids. Numerical results show the effectiveness of the newly introduced polynomial spaces and sparse grids. © 2012 World Scientific Publishing Company.

  5. Approximate method for solving the velocity dependent transport equation in a slab lattice

    International Nuclear Information System (INIS)

    Ferrari, A.

    1966-01-01

    A method is described that is intended to provide an approximate solution of the transport equation in a medium simulating a water-moderated plate filled reactor core. This medium is constituted by a periodic array of water channels and absorbing plates. The velocity dependent transport equation in slab geometry is included. The computation is performed in a water channel: the absorbing plates are accounted for by the boundary conditions. The scattering of neutrons in water is assumed isotropic, which allows the use of a double Pn approximation to deal with the angular dependence. This method is able to represent the discontinuity of the angular distribution at the channel boundary. The set of equations thus obtained is dependent only on x and v and the coefficients are independent on x. This solution suggests to try solutions involving Legendre polynomials. This scheme leads to a set of equations v dependent only. To obtain an explicit solution, a thermalization model must now be chosen. Using the secondary model of Cadilhac a solution of this set is easy to get. The numerical computations were performed with a particular secondary model, the well-known model of Wigner and Wilkins. (author) [fr

  6. On the optimal polynomial approximation of stochastic PDEs by galerkin and collocation methods

    KAUST Repository

    Beck, Joakim

    2012-09-01

    In this work we focus on the numerical approximation of the solution u of a linear elliptic PDE with stochastic coefficients. The problem is rewritten as a parametric PDE and the functional dependence of the solution on the parameters is approximated by multivariate polynomials. We first consider the stochastic Galerkin method, and rely on sharp estimates for the decay of the Fourier coefficients of the spectral expansion of u on an orthogonal polynomial basis to build a sequence of polynomial subspaces that features better convergence properties, in terms of error versus number of degrees of freedom, than standard choices such as Total Degree or Tensor Product subspaces. We consider then the Stochastic Collocation method, and use the previous estimates to introduce a new class of Sparse Grids, based on the idea of selecting a priori the most profitable hierarchical surpluses, that, again, features better convergence properties compared to standard Smolyak or tensor product grids. Numerical results show the effectiveness of the newly introduced polynomial spaces and sparse grids. © 2012 World Scientific Publishing Company.

  7. A point-value enhanced finite volume method based on approximate delta functions

    Science.gov (United States)

    Xuan, Li-Jun; Majdalani, Joseph

    2018-02-01

    We revisit the concept of an approximate delta function (ADF), introduced by Huynh (2011) [1], in the form of a finite-order polynomial that holds identical integral properties to the Dirac delta function when used in conjunction with a finite-order polynomial integrand over a finite domain. We show that the use of generic ADF polynomials can be effective at recovering and generalizing several high-order methods, including Taylor-based and nodal-based Discontinuous Galerkin methods, as well as the Correction Procedure via Reconstruction. Based on the ADF concept, we then proceed to formulate a Point-value enhanced Finite Volume (PFV) method, which stores and updates the cell-averaged values inside each element as well as the unknown quantities and, if needed, their derivatives on nodal points. The sharing of nodal information with surrounding elements saves the number of degrees of freedom compared to other compact methods at the same order. To ensure conservation, cell-averaged values are updated using an identical approach to that adopted in the finite volume method. Here, the updating of nodal values and their derivatives is achieved through an ADF concept that leverages all of the elements within the domain of integration that share the same nodal point. The resulting scheme is shown to be very stable at successively increasing orders. Both accuracy and stability of the PFV method are verified using a Fourier analysis and through applications to the linear wave and nonlinear Burgers' equations in one-dimensional space.

  8. The second-order polarization propagator approximation (SOPPA) method coupled to the polarizable continuum model

    DEFF Research Database (Denmark)

    Eriksen, Janus Juul; Solanko, Lukasz Michal; Nåbo, Lina J.

    2014-01-01

    2) wave function coupled to PCM, we introduce dynamical PCM solvent effects only in the Random Phase Approximation (RPA) part of the SOPPA response equations while the static solvent contribution is kept in both the RPA terms as well as in the higher order correlation matrix components of the SOPPA...... response equations. By dynamic terms, we refer to contributions that describe a change in environmental polarization which, in turn, reflects a change in the core molecular charge distribution upon an electronic excitation. This new combination of methods is termed PCM-SOPPA/RPA. We apply this newly...... defined method to the challenging cases of solvent effects on the lowest and intense electronic transitions in o-, m- and p-nitroaniline and o-, m- and p-nitrophenol and compare the performance of PCM-SOPPA/RPA with more conventional approaches. Compared to calculations based on time-dependent density...

  9. Approximate k-NN delta test minimization method using genetic algorithms: Application to time series

    CERN Document Server

    Mateo, F; Gadea, Rafael; Sovilj, Dusan

    2010-01-01

    In many real world problems, the existence of irrelevant input variables (features) hinders the predictive quality of the models used to estimate the output variables. In particular, time series prediction often involves building large regressors of artificial variables that can contain irrelevant or misleading information. Many techniques have arisen to confront the problem of accurate variable selection, including both local and global search strategies. This paper presents a method based on genetic algorithms that intends to find a global optimum set of input variables that minimize the Delta Test criterion. The execution speed has been enhanced by substituting the exact nearest neighbor computation by its approximate version. The problems of scaling and projection of variables have been addressed. The developed method works in conjunction with MATLAB's Genetic Algorithm and Direct Search Toolbox. The goodness of the proposed methodology has been evaluated on several popular time series examples, and also ...

  10. The spectral element method for static neutron transport in AN approximation. Part I

    International Nuclear Information System (INIS)

    Barbarino, A.; Dulla, S.; Mund, E.H.; Ravetto, P.

    2013-01-01

    Highlights: ► Spectral elements methods (SEMs) are extended for the neutronics of nuclear reactor cores. ► The second-order, A N formulation of neutron trasport is adopted. ► Results for classical benchmark cases in 2D are presented and compared to finite elements. ► The advantages of SEM in terms of precision and convergence rate are illustrated. ► SEM consitutes a promising approach for the solution of neutron transport problems. - Abstract: Spectral elements methods provide very accurate solutions of elliptic problems. In this paper we apply the method to the A N (i.e. SP 2N−1 ) approximation of neutron transport. Numerical results for classical benchmark cases highlight its performance in comparison with finite element computations, in terms of accuracy per degree of freedom and convergence rate. All calculations presented in this paper refer to two-dimensional problems. The method can easily be extended to three-dimensional cases. The results illustrate promising features of the method for more complex transport problems

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

    Science.gov (United States)

    Kaporin, I. E.

    2012-02-01

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

  12. Mixed multiscale finite element methods using approximate global information based on partial upscaling

    KAUST Repository

    Jiang, Lijian

    2009-10-02

    The use of limited global information in multiscale simulations is needed when there is no scale separation. Previous approaches entail fine-scale simulations in the computation of the global information. The computation of the global information is expensive. In this paper, we propose the use of approximate global information based on partial upscaling. A requirement for partial homogenization is to capture long-range (non-local) effects present in the fine-scale solution, while homogenizing some of the smallest scales. The local information at these smallest scales is captured in the computation of basis functions. Thus, the proposed approach allows us to avoid the computations at the scales that can be homogenized. This results in coarser problems for the computation of global fields. We analyze the convergence of the proposed method. Mathematical formalism is introduced, which allows estimating the errors due to small scales that are homogenized. The proposed method is applied to simulate two-phase flows in heterogeneous porous media. Numerical results are presented for various permeability fields, including those generated using two-point correlation functions and channelized permeability fields from the SPE Comparative Project (Christie and Blunt, SPE Reserv Evalu Eng 4:308-317, 2001). We consider simple cases where one can identify the scales that can be homogenized. For more general cases, we suggest the use of upscaling on the coarse grid with the size smaller than the target coarse grid where multiscale basis functions are constructed. This intermediate coarse grid renders a partially upscaled solution that contains essential non-local information. Numerical examples demonstrate that the use of approximate global information provides better accuracy than purely local multiscale methods. © 2009 Springer Science+Business Media B.V.

  13. Approximate solutions of the two-dimensional integral transport equation by collision probability methods

    International Nuclear Information System (INIS)

    Sanchez, Richard

    1977-01-01

    A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the Interface Current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding and water, or homogenized structural material. The cells are divided into zones which are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is made by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: the first uses a cylindrical cell model and one or three terms for the flux expansion; the second uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark pr

  14. A fast approximation method for reliability analysis of cold-standby systems

    International Nuclear Information System (INIS)

    Wang, Chaonan; Xing, Liudong; Amari, Suprasad V.

    2012-01-01

    Analyzing reliability of large cold-standby systems has been a complicated and time-consuming task, especially for systems with components having non-exponential time-to-failure distributions. In this paper, an approximation model, which is based on the central limit theorem, is presented for the reliability analysis of binary cold-standby systems. The proposed model can estimate the reliability of large cold-standby systems with binary-state components having arbitrary time-to-failure distributions in an efficient and easy way. The accuracy and efficiency of the proposed method are illustrated using several different types of distributions for both 1-out-of-n and k-out-of-n cold-standby systems.

  15. On approximation of non-Newtonian fluid flow by the finite element method

    Science.gov (United States)

    Svácek, Petr

    2008-08-01

    In this paper the problem of numerical approximation of non-Newtonian fluid flow with free surface is considered. Namely, the flow of fresh concrete is addressed. Industrial mixtures often behaves like non-Newtonian fluids exhibiting a yield stress that needs to be overcome for the flow to take place, cf. [R.B. Bird, R.C. Armstrong, O. Hassager, Dynamics of Polymeric Liquids, vol. 1, Fluid Mechanics, Wiley, New York, 1987; R.P. Chhabra, J.F. Richardson, Non-Newtonian Flow in the Process Industries, Butterworth-Heinemann, London, 1999]. The main interest is paid to the mathematical formulation of the problem and to discretization with the aid of finite element method. The described numerical procedure is applied onto the solution of several problems.

  16. An approximate method to estimate the minimum critical mass of fissile nuclides

    International Nuclear Information System (INIS)

    Wright, R.Q.; Jordan, W.C.

    1999-01-01

    When evaluating systems in criticality safety, it is important to approximate the answer before any analysis is performed. There is currently interest in establishing the minimum critical parameters for fissile actinides. The purpose is to describe the OB-1 method for estimating the minimum critical mass for thermal systems based on one-group calculations and 235 U spheres fully reflected by water. The observation is made that for water-moderated, well-thermalized systems, the transport and leakage from the system are dominated by water. Under these conditions two fissile mixtures will have nearly the same critical volume provided the infinite media multiplication factor (k ∞ ) for the two systems is the same. This observation allows for very simple estimates of critical concentration and mass as a function of the hydrogen-to-fissile (H/X) moderation ratio by comparison to the known 235 U system

  17. A new look at the statistical assessment of approximate and rigorous methods for the estimation of stabilized formation temperatures in geothermal and petroleum wells

    International Nuclear Information System (INIS)

    Espinoza-Ojeda, O M; Santoyo, E; Andaverde, J

    2011-01-01

    Approximate and rigorous solutions of seven heat transfer models were statistically examined, for the first time, to estimate stabilized formation temperatures (SFT) of geothermal and petroleum boreholes. Constant linear and cylindrical heat source models were used to describe the heat flow (either conductive or conductive/convective) involved during a borehole drilling. A comprehensive statistical assessment of the major error sources associated with the use of these models was carried out. The mathematical methods (based on approximate and rigorous solutions of heat transfer models) were thoroughly examined by using four statistical analyses: (i) the use of linear and quadratic regression models to infer the SFT; (ii) the application of statistical tests of linearity to evaluate the actual relationship between bottom-hole temperatures and time function data for each selected method; (iii) the comparative analysis of SFT estimates between the approximate and rigorous predictions of each analytical method using a β ratio parameter to evaluate the similarity of both solutions, and (iv) the evaluation of accuracy in each method using statistical tests of significance, and deviation percentages between 'true' formation temperatures and SFT estimates (predicted from approximate and rigorous solutions). The present study also enabled us to determine the sensitivity parameters that should be considered for a reliable calculation of SFT, as well as to define the main physical and mathematical constraints where the approximate and rigorous methods could provide consistent SFT estimates

  18. Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method.

    Science.gov (United States)

    Graf, Daniel; Beuerle, Matthias; Schurkus, Henry F; Luenser, Arne; Savasci, Gökcen; Ochsenfeld, Christian

    2018-05-08

    An efficient algorithm for calculating the random phase approximation (RPA) correlation energy is presented that is as accurate as the canonical molecular orbital resolution-of-the-identity RPA (RI-RPA) with the important advantage of an effective linear-scaling behavior (instead of quartic) for large systems due to a formulation in the local atomic orbital space. The high accuracy is achieved by utilizing optimized minimax integration schemes and the local Coulomb metric attenuated by the complementary error function for the RI approximation. The memory bottleneck of former atomic orbital (AO)-RI-RPA implementations ( Schurkus, H. F.; Ochsenfeld, C. J. Chem. Phys. 2016 , 144 , 031101 and Luenser, A.; Schurkus, H. F.; Ochsenfeld, C. J. Chem. Theory Comput. 2017 , 13 , 1647 - 1655 ) is addressed by precontraction of the large 3-center integral matrix with the Cholesky factors of the ground state density reducing the memory requirements of that matrix by a factor of [Formula: see text]. Furthermore, we present a parallel implementation of our method, which not only leads to faster RPA correlation energy calculations but also to a scalable decrease in memory requirements, opening the door for investigations of large molecules even on small- to medium-sized computing clusters. Although it is known that AO methods are highly efficient for extended systems, where sparsity allows for reaching the linear-scaling regime, we show that our work also extends the applicability when considering highly delocalized systems for which no linear scaling can be achieved. As an example, the interlayer distance of two covalent organic framework pore fragments (comprising 384 atoms in total) is analyzed.

  19. Diffusion approximation-based simulation of stochastic ion channels: which method to use?

    Directory of Open Access Journals (Sweden)

    Danilo ePezo

    2014-11-01

    Full Text Available To study the effects of stochastic ion channel fluctuations on neural dynamics, several numerical implementation methods have been proposed. Gillespie’s method for Markov Chains (MC simulation is highly accurate, yet it becomes computationally intensive in the regime of high channel numbers. Many recent works aim to speed simulation time using the Langevin-based Diffusion Approximation (DA. Under this common theoretical approach, each implementation differs in how it handles various numerical difficulties – such as bounding of state variables to [0,1]. Here we review and test a set of the most recently published DA implementations (Dangerfield et al., 2012; Linaro et al., 2011; Huang et al., 2013a; Orio and Soudry, 2012; Schmandt and Galán, 2012; Goldwyn et al., 2011; Güler, 2013, comparing all of them in a set of numerical simulations that asses numerical accuracy and computational efficiency on three different models: the original Hodgkin and Huxley model, a model with faster sodium channels, and a multi-compartmental model inspired in granular cells. We conclude that for low channel numbers (usually below 1000 per simulated compartment one should use MC – which is both the most accurate and fastest method. For higher channel numbers, we recommend using the method by Orio and Soudry (2012, possibly combined with the method by Schmandt and Galán (2012 for increased speed and slightly reduced accuracy. Consequently, MC modelling may be the best method for detailed multicompartment neuron models – in which a model neuron with many thousands of channels is segmented into many compartments with a few hundred channels.

  20. Diffusion approximation-based simulation of stochastic ion channels: which method to use?

    Science.gov (United States)

    Pezo, Danilo; Soudry, Daniel; Orio, Patricio

    2014-01-01

    To study the effects of stochastic ion channel fluctuations on neural dynamics, several numerical implementation methods have been proposed. Gillespie's method for Markov Chains (MC) simulation is highly accurate, yet it becomes computationally intensive in the regime of a high number of channels. Many recent works aim to speed simulation time using the Langevin-based Diffusion Approximation (DA). Under this common theoretical approach, each implementation differs in how it handles various numerical difficulties—such as bounding of state variables to [0,1]. Here we review and test a set of the most recently published DA implementations (Goldwyn et al., 2011; Linaro et al., 2011; Dangerfield et al., 2012; Orio and Soudry, 2012; Schmandt and Galán, 2012; Güler, 2013; Huang et al., 2013a), comparing all of them in a set of numerical simulations that assess numerical accuracy and computational efficiency on three different models: (1) the original Hodgkin and Huxley model, (2) a model with faster sodium channels, and (3) a multi-compartmental model inspired in granular cells. We conclude that for a low number of channels (usually below 1000 per simulated compartment) one should use MC—which is the fastest and most accurate method. For a high number of channels, we recommend using the method by Orio and Soudry (2012), possibly combined with the method by Schmandt and Galán (2012) for increased speed and slightly reduced accuracy. Consequently, MC modeling may be the best method for detailed multicompartment neuron models—in which a model neuron with many thousands of channels is segmented into many compartments with a few hundred channels. PMID:25404914

  1. A Bayesian method and its variational approximation for prediction of genomic breeding values in multiple traits

    Directory of Open Access Journals (Sweden)

    Hayashi Takeshi

    2013-01-01

    Full Text Available Abstract Background Genomic selection is an effective tool for animal and plant breeding, allowing effective individual selection without phenotypic records through the prediction of genomic breeding value (GBV. To date, genomic selection has focused on a single trait. However, actual breeding often targets multiple correlated traits, and, therefore, joint analysis taking into consideration the correlation between traits, which might result in more accurate GBV prediction than analyzing each trait separately, is suitable for multi-trait genomic selection. This would require an extension of the prediction model for single-trait GBV to multi-trait case. As the computational burden of multi-trait analysis is even higher than that of single-trait analysis, an effective computational method for constructing a multi-trait prediction model is also needed. Results We described a Bayesian regression model incorporating variable selection for jointly predicting GBVs of multiple traits and devised both an MCMC iteration and variational approximation for Bayesian estimation of parameters in this multi-trait model. The proposed Bayesian procedures with MCMC iteration and variational approximation were referred to as MCBayes and varBayes, respectively. Using simulated datasets of SNP genotypes and phenotypes for three traits with high and low heritabilities, we compared the accuracy in predicting GBVs between multi-trait and single-trait analyses as well as between MCBayes and varBayes. The results showed that, compared to single-trait analysis, multi-trait analysis enabled much more accurate GBV prediction for low-heritability traits correlated with high-heritability traits, by utilizing the correlation structure between traits, while the prediction accuracy for uncorrelated low-heritability traits was comparable or less with multi-trait analysis in comparison with single-trait analysis depending on the setting for prior probability that a SNP has zero

  2. Application of the N-quantum approximation method to bound state problems

    International Nuclear Information System (INIS)

    Raychaudhuri, A.

    1977-01-01

    The N-quantum approximation (NQA) method is examined in the light of its application to bound state problems. Bound state wave functions are obtained as expansion coefficients in a truncated Haag expansion. From the equations of motion for the Heisenberg field and the NQA expansion, an equation satisfied by the wave function is derived. Two different bound state systems are considered. In one case, the bound state problem of two identical scalars by scalar exchange is analyzed using the NQA. An integral equation satisfied by the wave function is derived. In the nonrelativistic limit, the equation is shown to reduce to the Schroedinger equation. The equation is solved numerically, and the results compared with those obtained for this system by other methods. The NQA method is also applied to the bound state of two spin 1/2 particles with electromagnetic interaction. The integral equation for the wave function is shown to agree with the corresponding Bethe Salpeter equation in the nonrelativistic limit. Using the Dirac (4 x 4) matrices the wave function is expanded in terms of structure functions and the equation for the wave function is reduced to two disjoint sets of coupled equation for the structure functions

  3. An extension of the fenske-hall LCAO method for approximate calculations of inner-shell binding energies of molecules

    Science.gov (United States)

    Zwanziger, Ch.; Reinhold, J.

    1980-02-01

    The approximate LCAO MO method of Fenske and Hall has been extended to an all-election method allowing the calculation of inner-shell binding energies of molecules and their chemical shifts. Preliminary results are given.

  4. Sparse approximation of multilinear problems with applications to kernel-based methods in UQ

    KAUST Repository

    Nobile, Fabio; Tempone, Raul; Wolfers, Sö ren

    2017-01-01

    We provide a framework for the sparse approximation of multilinear problems and show that several problems in uncertainty quantification fit within this framework. In these problems, the value of a multilinear map has to be approximated using approximations of different accuracy and computational work of the arguments of this map. We propose and analyze a generalized version of Smolyak’s algorithm, which provides sparse approximation formulas with convergence rates that mitigate the curse of dimension that appears in multilinear approximation problems with a large number of arguments. We apply the general framework to response surface approximation and optimization under uncertainty for parametric partial differential equations using kernel-based approximation. The theoretical results are supplemented by numerical experiments.

  5. Sparse approximation of multilinear problems with applications to kernel-based methods in UQ

    KAUST Repository

    Nobile, Fabio

    2017-11-16

    We provide a framework for the sparse approximation of multilinear problems and show that several problems in uncertainty quantification fit within this framework. In these problems, the value of a multilinear map has to be approximated using approximations of different accuracy and computational work of the arguments of this map. We propose and analyze a generalized version of Smolyak’s algorithm, which provides sparse approximation formulas with convergence rates that mitigate the curse of dimension that appears in multilinear approximation problems with a large number of arguments. We apply the general framework to response surface approximation and optimization under uncertainty for parametric partial differential equations using kernel-based approximation. The theoretical results are supplemented by numerical experiments.

  6. Suboptimal control of pressurized water reactor power plant using approximate model-following method

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Ogawa, Yuichi

    1987-01-01

    We attempted to develop an effective control system that can successfully manage the nuclear steam supply (NSS) system of a PWR power plant in an operational mode requiring relatively small variations of power. A procedure is proposed for synthesizing control system that is a simple, yet practiced, suboptimal control system. The suboptimal control system is designed in two steps; application of the optimal control theory, based on the linear state-feedback control and the use of an approximate model-following method. This procedure can appreciably reduce the complexity of the structure of the controller by accepting a slight deviation from the optimality and by the use of the output-feedback control. This eliminates the engineering difficulty caused by an incompletely state-feedback that is sometimes encountered in practical applications of the optimal state-feedback control theory to complex large-scale dynamical systems. Digital simulations and graphical studies based on the Bode-diagram demonstrate the effectiveness of the suboptimal control, and the applicability of the proposed design method as well. (author)

  7. Mixed-hybrid finite element method for the transport equation and diffusion approximation of transport problems

    International Nuclear Information System (INIS)

    Cartier, J.

    2006-04-01

    This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)

  8. Approximate tensor-product preconditioners for very high order discontinuous Galerkin methods

    Science.gov (United States)

    Pazner, Will; Persson, Per-Olof

    2018-02-01

    In this paper, we develop a new tensor-product based preconditioner for discontinuous Galerkin methods with polynomial degrees higher than those typically employed. This preconditioner uses an automatic, purely algebraic method to approximate the exact block Jacobi preconditioner by Kronecker products of several small, one-dimensional matrices. Traditional matrix-based preconditioners require O (p2d) storage and O (p3d) computational work, where p is the degree of basis polynomials used, and d is the spatial dimension. Our SVD-based tensor-product preconditioner requires O (p d + 1) storage, O (p d + 1) work in two spatial dimensions, and O (p d + 2) work in three spatial dimensions. Combined with a matrix-free Newton-Krylov solver, these preconditioners allow for the solution of DG systems in linear time in p per degree of freedom in 2D, and reduce the computational complexity from O (p9) to O (p5) in 3D. Numerical results are shown in 2D and 3D for the advection, Euler, and Navier-Stokes equations, using polynomials of degree up to p = 30. For many test cases, the preconditioner results in similar iteration counts when compared with the exact block Jacobi preconditioner, and performance is significantly improved for high polynomial degrees p.

  9. Approximate Solutions of Schrodinger Equation with Some Diatomic Molecular Interactions Using Nikiforov-Uvarov Method

    Directory of Open Access Journals (Sweden)

    Ituen B. Okon

    2017-01-01

    Full Text Available We used a tool of conventional Nikiforov-Uvarov method to determine bound state solutions of Schrodinger equation with quantum interaction potential called Hulthen-Yukawa inversely quadratic potential (HYIQP. We obtained the energy eigenvalues and the total normalized wave function. We employed Hellmann-Feynman Theorem (HFT to compute expectation values r-2, r-1, T, and p2 for four different diatomic molecules: hydrogen molecule (H2, lithium hydride molecule (LiH, hydrogen chloride molecule (HCl, and carbon (II oxide molecule. The resulting energy equation reduces to three well-known potentials which are as follows: Hulthen potential, Yukawa potential, and inversely quadratic potential. The bound state energies for Hulthen and Yukawa potentials agree with the result reported in existing literature. We obtained the numerical bound state energies of the expectation values by implementing MATLAB algorithm using experimentally determined spectroscopic constant for the different diatomic molecules. We developed mathematica programming to obtain wave function and probability density plots for different orbital angular quantum number.

  10. A fault diagnosis system for PV power station based on global partitioned gradually approximation method

    Science.gov (United States)

    Wang, S.; Zhang, X. N.; Gao, D. D.; Liu, H. X.; Ye, J.; Li, L. R.

    2016-08-01

    As the solar photovoltaic (PV) power is applied extensively, more attentions are paid to the maintenance and fault diagnosis of PV power plants. Based on analysis of the structure of PV power station, the global partitioned gradually approximation method is proposed as a fault diagnosis algorithm to determine and locate the fault of PV panels. The PV array is divided into 16x16 blocks and numbered. On the basis of modularly processing of the PV array, the current values of each block are analyzed. The mean current value of each block is used for calculating the fault weigh factor. The fault threshold is defined to determine the fault, and the shade is considered to reduce the probability of misjudgments. A fault diagnosis system is designed and implemented with LabVIEW. And it has some functions including the data realtime display, online check, statistics, real-time prediction and fault diagnosis. Through the data from PV plants, the algorithm is verified. The results show that the fault diagnosis results are accurate, and the system works well. The validity and the possibility of the system are verified by the results as well. The developed system will be benefit for the maintenance and management of large scale PV array.

  11. Selection of hybrid vehicle for green environment using multi-attributive border approximation area comparison method

    Directory of Open Access Journals (Sweden)

    Tapas Kumar Biswas

    2018-02-01

    Full Text Available The mobility sector including all kinds of transportation systems are facing global challenges in re-spect of green environmental issues. There has been a paradigm shift in the concept of design and manufacturing of automotive vehicles keeping in mind the scarcity of fossil fuel and the impact of emission on environment due to burning of it. The addition of hybrid and electric vehicles in pas-senger car segment has got significant momentum to address the global challenges. This research investigates the performance of a group of hybrid vehicles from customers’ perspective. Among the different brands that are available in the hybrid vehicle market, smart customers have given pri-ority to vehicle cost, mileage, tail pipe emission, comfortness and high tank size volume for long drive. Considering these attributes, selection strategy for hybrid vehicles has been developed using entropy based multi-attributive border approximation area comparison (MABAC method. This research highlights the best hybrid vehicle which reduces air pollution in cities with other significant environmental benefits, reduces dependence on foreign energy imports and minimizes the annual fuel cost.

  12. The Approximate Bayesian Computation methods in the localization of the atmospheric contamination source

    International Nuclear Information System (INIS)

    Kopka, P; Wawrzynczak, A; Borysiewicz, M

    2015-01-01

    In many areas of application, a central problem is a solution to the inverse problem, especially estimation of the unknown model parameters to model the underlying dynamics of a physical system precisely. In this situation, the Bayesian inference is a powerful tool to combine observed data with prior knowledge to gain the probability distribution of searched parameters. We have applied the modern methodology named Sequential Approximate Bayesian Computation (S-ABC) to the problem of tracing the atmospheric contaminant source. The ABC is technique commonly used in the Bayesian analysis of complex models and dynamic system. Sequential methods can significantly increase the efficiency of the ABC. In the presented algorithm, the input data are the on-line arriving concentrations of released substance registered by distributed sensor network from OVER-LAND ATMOSPHERIC DISPERSION (OLAD) experiment. The algorithm output are the probability distributions of a contamination source parameters i.e. its particular location, release rate, speed and direction of the movement, start time and duration. The stochastic approach presented in this paper is completely general and can be used in other fields where the parameters of the model bet fitted to the observable data should be found. (paper)

  13. Using the DDA (Discrete Dipole Approximation Method in Determining the Extinction Cross Section of Black Carbon

    Directory of Open Access Journals (Sweden)

    Skorupski Krzysztof

    2015-03-01

    Full Text Available BC (Black Carbon, which can be found in the atmosphere, is characterized by a large value of the imaginary part of the complex refractive index and, therefore, might have an impact on the global warming effect. To study the interaction of BC with light often computer simulations are used. One of the methods, which are capable of performing light scattering simulations by any shape, is DDA (Discrete Dipole Approximation. In this work its accuracy was estimated in respect to BC structures using the latest stable version of the ADDA (vr. 1.2 algorithm. As the reference algorithm the GMM (Generalized Multiparticle Mie-Solution code was used. The study shows that the number of volume elements (dipoles is the main parameter that defines the quality of results. However, they can be improved by a proper polarizability expression. The most accurate, and least time consuming, simulations were observed for IGT_SO. When an aggregate consists of particles composed of ca. 750 volume elements (dipoles, the averaged relative extinction error should not exceed ca. 4.5%.

  14. Determination of tin (II) in radiopharmaceutical kits by polarographic method

    International Nuclear Information System (INIS)

    Aungurarat, A.; Thuntawewadthananon, T.

    1996-01-01

    Radiopharmaceutical kit is a diagnostic compound which contains Stannous (II) as a reducing agent. The quantity of Stannous (II) is depended on the type of kits. So the quantity of Stannous (II) is determined by polarographic method with Differential Pulse Voltammetry (D P Mode) in which a saturated calomel electrode is used as anode and a dropping mercury electrode is used as cathode. Both of electrodes are immerged in the premixed solution of supporting electrolyte and analytical Stannous (II). The Stannous (II) is determined by direct method Stannous (II) is analyzed in the form of Stannous; Sn 2 + itself, and indirect method Stannous (II) is analyzed in the form of S tannic; Sn 4+ (Sn 2+ , + N H 4 + ----> Sn 4+ ). Both methods are done at polarographic half wave potential -470 and -520 mV respectively. The Limit of Detection (LOD) of the direct method is 1.9445 micro g and indirect method is 1.3018 micro g. The result received from indirect method is much more accurate than the direct method (Sn 2+ ). The accuracy of the direct method is about 97.5-102.5% recovery

  15. An evaluation of solution algorithms and numerical approximation methods for modeling an ion exchange process

    Science.gov (United States)

    Bu, Sunyoung; Huang, Jingfang; Boyer, Treavor H.; Miller, Cass T.

    2010-07-01

    The focus of this work is on the modeling of an ion exchange process that occurs in drinking water treatment applications. The model formulation consists of a two-scale model in which a set of microscale diffusion equations representing ion exchange resin particles that vary in size and age are coupled through a boundary condition with a macroscopic ordinary differential equation (ODE), which represents the concentration of a species in a well-mixed reactor. We introduce a new age-averaged model (AAM) that averages all ion exchange particle ages for a given size particle to avoid the expensive Monte-Carlo simulation associated with previous modeling applications. We discuss two different numerical schemes to approximate both the original Monte-Carlo algorithm and the new AAM for this two-scale problem. The first scheme is based on the finite element formulation in space coupled with an existing backward difference formula-based ODE solver in time. The second scheme uses an integral equation based Krylov deferred correction (KDC) method and a fast elliptic solver (FES) for the resulting elliptic equations. Numerical results are presented to validate the new AAM algorithm, which is also shown to be more computationally efficient than the original Monte-Carlo algorithm. We also demonstrate that the higher order KDC scheme is more efficient than the traditional finite element solution approach and this advantage becomes increasingly important as the desired accuracy of the solution increases. We also discuss issues of smoothness, which affect the efficiency of the KDC-FES approach, and outline additional algorithmic changes that would further improve the efficiency of these developing methods for a wide range of applications.

  16. Rapid and Robust Cross-Correlation-Based Seismic Phase Identification Using an Approximate Nearest Neighbor Method

    Science.gov (United States)

    Tibi, R.; Young, C. J.; Gonzales, A.; Ballard, S.; Encarnacao, A. V.

    2016-12-01

    The matched filtering technique involving the cross-correlation of a waveform of interest with archived signals from a template library has proven to be a powerful tool for detecting events in regions with repeating seismicity. However, waveform correlation is computationally expensive, and therefore impractical for large template sets unless dedicated distributed computing hardware and software are used. In this study, we introduce an Approximate Nearest Neighbor (ANN) approach that enables the use of very large template libraries for waveform correlation without requiring a complex distributed computing system. Our method begins with a projection into a reduced dimensionality space based on correlation with a randomized subset of the full template archive. Searching for a specified number of nearest neighbors is accomplished by using randomized K-dimensional trees. We used the approach to search for matches to each of 2700 analyst-reviewed signal detections reported for May 2010 for the IMS station MKAR. The template library in this case consists of a dataset of more than 200,000 analyst-reviewed signal detections for the same station from 2002-2014 (excluding May 2010). Of these signal detections, 60% are teleseismic first P, and 15% regional phases (Pn, Pg, Sn, and Lg). The analyses performed on a standard desktop computer shows that the proposed approach performs the search of the large template libraries about 20 times faster than the standard full linear search, while achieving recall rates greater than 80%, with the recall rate increasing for higher correlation values. To decide whether to confirm a match, we use a hybrid method involving a cluster approach for queries with two or more matches, and correlation score for single matches. Of the signal detections that passed our confirmation process, 52% were teleseismic first P, and 30% were regional phases.

  17. An angularly refineable phase space finite element method with approximate sweeping procedure

    International Nuclear Information System (INIS)

    Kophazi, J.; Lathouwers, D.

    2013-01-01

    An angularly refineable phase space finite element method is proposed to solve the neutron transport equation. The method combines the advantages of two recently published schemes. The angular domain is discretized into small patches and patch-wise discontinuous angular basis functions are restricted to these patches, i.e. there is no overlap between basis functions corresponding to different patches. This approach yields block diagonal Jacobians with small block size and retains the possibility for S n -like approximate sweeping of the spatially discontinuous elements in order to provide efficient preconditioners for the solution procedure. On the other hand, the preservation of the full FEM framework (as opposed to collocation into a high-order S n scheme) retains the possibility of the Galerkin interpolated connection between phase space elements at arbitrary levels of discretization. Since the basis vectors are not orthonormal, a generalization of the Riemann procedure is introduced to separate the incoming and outgoing contributions in case of unstructured meshes. However, due to the properties of the angular discretization, the Riemann procedure can be avoided at a large fraction of the faces and this fraction rapidly increases as the level of refinement increases, contributing to the computational efficiency. In this paper the properties of the discretization scheme are studied with uniform refinement using an iterative solver based on the S 2 sweep order of the spatial elements. The fourth order convergence of the scalar flux is shown as anticipated from earlier schemes and the rapidly decreasing fraction of required Riemann faces is illustrated. (authors)

  18. An empirical method for approximating stream baseflow time series using groundwater table fluctuations

    Science.gov (United States)

    Meshgi, Ali; Schmitter, Petra; Babovic, Vladan; Chui, Ting Fong May

    2014-11-01

    Developing reliable methods to estimate stream baseflow has been a subject of interest due to its importance in catchment response and sustainable watershed management. However, to date, in the absence of complex numerical models, baseflow is most commonly estimated using statistically derived empirical approaches that do not directly incorporate physically-meaningful information. On the other hand, Artificial Intelligence (AI) tools such as Genetic Programming (GP) offer unique capabilities to reduce the complexities of hydrological systems without losing relevant physical information. This study presents a simple-to-use empirical equation to estimate baseflow time series using GP so that minimal data is required and physical information is preserved. A groundwater numerical model was first adopted to simulate baseflow for a small semi-urban catchment (0.043 km2) located in Singapore. GP was then used to derive an empirical equation relating baseflow time series to time series of groundwater table fluctuations, which are relatively easily measured and are physically related to baseflow generation. The equation was then generalized for approximating baseflow in other catchments and validated for a larger vegetation-dominated basin located in the US (24 km2). Overall, this study used GP to propose a simple-to-use equation to predict baseflow time series based on only three parameters: minimum daily baseflow of the entire period, area of the catchment and groundwater table fluctuations. It serves as an alternative approach for baseflow estimation in un-gauged systems when only groundwater table and soil information is available, and is thus complementary to other methods that require discharge measurements.

  19. Approximate rational Jacobi elliptic function solutions of the fractional differential equations via the enhanced Adomian decomposition method

    International Nuclear Information System (INIS)

    Song Lina; Wang Weiguo

    2010-01-01

    In this Letter, an enhanced Adomian decomposition method which introduces the h-curve of the homotopy analysis method into the standard Adomian decomposition method is proposed. Some examples prove that this method can derive successfully approximate rational Jacobi elliptic function solutions of the fractional differential equations.

  20. The use of approximation formulae in calculations of acid-base equilibria-II: salts of mono- and diprotic acids.

    Science.gov (United States)

    Narasaki, H

    1980-02-01

    The pH of solutions of salts of mono- and diprotic acids is calculated by use of approximation formulae and the theoretically exact equations. The regions for useful application of the approximation formulae (error monoprotic acids, areas are symmetrically equal to those of the acids. For salts of diprotic acids the ranges generally depend on K(2)/K(1).

  1. Computational Modeling of Proteins based on Cellular Automata: A Method of HP Folding Approximation.

    Science.gov (United States)

    Madain, Alia; Abu Dalhoum, Abdel Latif; Sleit, Azzam

    2018-06-01

    The design of a protein folding approximation algorithm is not straightforward even when a simplified model is used. The folding problem is a combinatorial problem, where approximation and heuristic algorithms are usually used to find near optimal folds of proteins primary structures. Approximation algorithms provide guarantees on the distance to the optimal solution. The folding approximation approach proposed here depends on two-dimensional cellular automata to fold proteins presented in a well-studied simplified model called the hydrophobic-hydrophilic model. Cellular automata are discrete computational models that rely on local rules to produce some overall global behavior. One-third and one-fourth approximation algorithms choose a subset of the hydrophobic amino acids to form H-H contacts. Those algorithms start with finding a point to fold the protein sequence into two sides where one side ignores H's at even positions and the other side ignores H's at odd positions. In addition, blocks or groups of amino acids fold the same way according to a predefined normal form. We intend to improve approximation algorithms by considering all hydrophobic amino acids and folding based on the local neighborhood instead of using normal forms. The CA does not assume a fixed folding point. The proposed approach guarantees one half approximation minus the H-H endpoints. This lower bound guaranteed applies to short sequences only. This is proved as the core and the folds of the protein will have two identical sides for all short sequences.

  2. Higher-order approximate solutions to the relativistic and Duffing-harmonic oscillators by modified He's homotopy methods

    International Nuclear Information System (INIS)

    Belendez, A; Pascual, C; Fernandez, E; Neipp, C; Belendez, T

    2008-01-01

    A modified He's homotopy perturbation method is used to calculate higher-order analytical approximate solutions to the relativistic and Duffing-harmonic oscillators. The He's homotopy perturbation method is modified by truncating the infinite series corresponding to the first-order approximate solution before introducing this solution in the second-order linear differential equation, and so on. We find this modified homotopy perturbation method works very well for the whole range of initial amplitudes, and the excellent agreement of the approximate frequencies and periodic solutions with the exact ones has been demonstrated and discussed. The approximate formulae obtained show excellent agreement with the exact solutions, and are valid for small as well as large amplitudes of oscillation, including the limiting cases of amplitude approaching zero and infinity. For the relativistic oscillator, only one iteration leads to high accuracy of the solutions with a maximal relative error for the approximate frequency of less than 1.6% for small and large values of oscillation amplitude, while this relative error is 0.65% for two iterations with two harmonics and as low as 0.18% when three harmonics are considered in the second approximation. For the Duffing-harmonic oscillator the relative error is as low as 0.078% when the second approximation is considered. Comparison of the result obtained using this method with those obtained by the harmonic balance methods reveals that the former is very effective and convenient

  3. Integration of large chemical kinetic mechanisms via exponential methods with Krylov approximations to Jacobian matrix functions

    KAUST Repository

    Bisetti, Fabrizio

    2012-01-01

    with the computational cost associated with the time integration of stiff, large chemical systems, a novel approach is proposed. The approach combines an exponential integrator and Krylov subspace approximations to the exponential function of the Jacobian matrix

  4. Application of the probabilistic approximate analysis method to a turbopump blade analysis. [for Space Shuttle Main Engine

    Science.gov (United States)

    Thacker, B. H.; Mcclung, R. C.; Millwater, H. R.

    1990-01-01

    An eigenvalue analysis of a typical space propulsion system turbopump blade is presented using an approximate probabilistic analysis methodology. The methodology was developed originally to investigate the feasibility of computing probabilistic structural response using closed-form approximate models. This paper extends the methodology to structures for which simple closed-form solutions do not exist. The finite element method will be used for this demonstration, but the concepts apply to any numerical method. The results agree with detailed analysis results and indicate the usefulness of using a probabilistic approximate analysis in determining efficient solution strategies.

  5. Resonant power processors. II - Methods of control

    Science.gov (United States)

    Oruganti, R.; Lee, F. C.

    1984-01-01

    The nature of resonant converter control is discussed. Employing the state-portrait, different control methods for series resonant converter are identified and their performance evaluated based on their stability, response to control and load changes and range of operation. A new control method, optimal-trajectory control, is proposed which, by utilizing the state trajectories as control laws, continuously monitors the energy level of the resonant tank. The method is shown to have superior control properties especially under transient operation.

  6. Validation of the New Interpretation of Gerasimov's Nasal Projection Method for Forensic Facial Approximation Using CT Data

    DEFF Research Database (Denmark)

    Maltais Lapointe, Genevieve; Lynnerup, Niels; Hoppa, Robert D

    2016-01-01

    The most common method to predict nasal projection for forensic facial approximation is Gerasimov's two-tangent method. Ullrich H, Stephan CN (J Forensic Sci, 2011; 56: 470) argued that the method has not being properly implemented and a revised interpretation was proposed. The aim of this study......, and Ullrich H, Stephan CN (J Forensic Sci, 2011; 56: 470) interpretation should be used instead....

  7. Study of internal rotation in molecules using molecular orbital method in the CNDO/BW approximation

    International Nuclear Information System (INIS)

    Pedrosa, M.S.

    1987-10-01

    It is presented a LCAO-MO-SCF study of Internal Rotation for the molecules C 2 H 6 , CH 3 NH 2 , H 2 O 2 , and N 2 H 4 by ysing the CNDO/BW approximation and an M-center energy partition. Our results are compared with those obtained with the CNDO/2 approximation. It is shown that there are differences in the analysis of the process involved in the internal rotation barriers mechanism. Thus the interpretation of the results is strongly dependent on the parametrization used. (author) [pt

  8. On the equivalence of optimality criterion and sequential approximate optimization methods in the classical layout problem

    NARCIS (Netherlands)

    Groenwold, A.A.; Etman, L.F.P.

    2008-01-01

    We study the classical topology optimization problem, in which minimum compliance is sought, subject to linear constraints. Using a dual statement, we propose two separable and strictly convex subproblems for use in sequential approximate optimization (SAO) algorithms.Respectively, the subproblems

  9. An approximate method for nonlinear diffusion applied to enzyme inactivation during drying

    NARCIS (Netherlands)

    Liou, J.K.

    1982-01-01

    An approximate model was developed for nonlinear diffusion with a power-function variation of the diffusion coefficient with concentration. This model may serve for the computation of desorption times and concentration profiles in non-shrinking or shrinking slabs, cylinders or spheres, under

  10. Method II : The energy-momentum map

    NARCIS (Netherlands)

    Broer, H.; Hoveijn, I.; Lunter, G.; Vegter, G.

    2003-01-01

    In this chapter we apply the energy–momentum map reduction method to the same class of systems as in Chap. 2, namely two degree-of-freedom systems with optional symmetry, near equilibrium and close to resonance. We calculate the tangent space and nondegeneracy conditions for the 1:2, 1:3 and 1:4

  11. Solution of two-dimensional equations of neutron transport in 4P0-approximation of spherical harmonics method

    International Nuclear Information System (INIS)

    Polivanskij, V.P.

    1989-01-01

    The method to solve two-dimensional equations of neutron transport using 4P 0 -approximation is presented. Previously such approach was efficiently used for the solution of one-dimensional problems. New an attempt is made to apply the approach to solution of two-dimensional problems. Algorithm of the solution is given, as well as results of test neutron-physical calculations. A considerable as compared with diffusion approximation is shown. 11 refs

  12. On an Approximate Solution Method for the Problem of Surface and Groundwater Combined Movement with Exact Approximation on the Section Line

    Directory of Open Access Journals (Sweden)

    L.L. Glazyrina

    2016-12-01

    Full Text Available In this paper, the initial-boundary problem for two nonlinear parabolic combined equations has been considered. One of the equations is set on the bounded domain Ω from R2, another equation is set along the curve lying in Ω. Both of the equations are parabolic equations with double degeneration. The degeneration can be present at the space operator. Furthermore, the nonlinear function which is under the sign of partial derivative with respect to the variable t, can be bound to zero. This problem has an applied character: such structure is needed to describe the process of surface and ground water combined movement. In this case, the desired function determines the level of water above the given impenetrable bottom, the section simulates the riverbed. The Bussinesk equation has been used for mathematical description of the groundwater filtration process in the domain Ω; a diffusion analogue of the Saint-Venant's system has been used on the section for description of the process of water level change in the open channel. Earlier, the authors proved the theorems of generalized solution existence and uniqueness for the considered problem from the functions classes which are called strengthened Sobolev spaces in the literature. To obtain these results, we used the technique which was created by the German mathematicians (H.W. Alt, S. Luckhaus, F. Otto to establish the correctness of the problems with a double degeneration. In this paper, we have proposed and investigated an approximate solution method for the above-stated problem. This method has been constructed using semidiscretization with respect to the variable t and the finite element method for space variables. Triangulation of the domain has been accomplished by triangles. The mesh has been set on the section line. On each segment of the line section lying between the nearby mesh points, on both side of this segment we have constructed the triangles with a common side which matches with

  13. An approximate method for calculating electron-phonon matrix element of a disordered transition metal and relevant comments on superconductivity

    International Nuclear Information System (INIS)

    Zhang, L.

    1981-08-01

    A method based on the tight-binding approximation is developed to calculate the electron-phonon matrix element for the disordered transition metals. With the method as a basis the experimental Tsub(c) data of the amorphous transition metal superconductors are re-analysed. Some comments on the superconductivity of the disordered materials are given

  14. Applicability of the Galerkin method to the approximate solution of the multigroup diffusion equation

    International Nuclear Information System (INIS)

    Obradovic, D.

    1970-04-01

    In the study of the nuclear reactors space-time behaviour the modal analysis is very often used though some basic mathematical problems connected with application of this methods are still unsolved. In this paper the modal analysis is identified as a set of the methods in the mathematical literature known as the Galerkin methods (or projection methods, or sometimes direct methods). Using the results of the mathematical investigations of these methods the applicability of the Galerkin type methods to the calculations of the eigenvalue and eigenvectors of the stationary and non-stationary diffusion operator, as well as for the solutions of the corresponding functional equations, is established (author)

  15. Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation

    Science.gov (United States)

    Dutta, Achintya Kumar; Neese, Frank; Izsák, Róbert

    2018-06-01

    In this paper, we present a chain-of-sphere implementation of the external exchange term, the computational bottleneck of coupled-cluster calculations at the singles and doubles level. This implementation is compared to standard molecular orbital, atomic orbital and resolution of identity implementations of the same term within the ORCA package and turns out to be the most efficient one for larger molecules, with a better accuracy than the resolution-of-identity approximation. Furthermore, it becomes possible to perform a canonical CC calculation on a tetramer of nucleobases in 17 days, 20 hours.

  16. Accuracy of approximations of solutions to Fredholm equations by kernel methods

    Czech Academy of Sciences Publication Activity Database

    Gnecco, G.; Kůrková, Věra; Sanguineti, M.

    2012-01-01

    Roč. 218, č. 14 (2012), s. 7481-7497 ISSN 0096-3003 R&D Projects: GA ČR GAP202/11/1368; GA MŠk OC10047 Grant - others:CNR-AV ČR(CZ-IT) Project 2010–2012 “Complexity of Neural -Network and Kernel Computational Models Institutional research plan: CEZ:AV0Z10300504 Keywords : approximate solutions to integral equations * radial and kernel-based networks * Gaussian kernels * model complexity * analysis of algorithms Subject RIV: IN - Informatics, Computer Science Impact factor: 1.349, year: 2012

  17. Non-Equilibrium Liouville and Wigner Equations: Moment Methods and Long-Time Approximations

    Directory of Open Access Journals (Sweden)

    Ramon F. Álvarez-Estrada

    2014-03-01

    Full Text Available We treat the non-equilibrium evolution of an open one-particle statistical system, subject to a potential and to an external “heat bath” (hb with negligible dissipation. For the classical equilibrium Boltzmann distribution, Wc,eq, a non-equilibrium three-term hierarchy for moments fulfills Hermiticity, which allows one to justify an approximate long-time thermalization. That gives partial dynamical support to Boltzmann’s Wc,eq, out of the set of classical stationary distributions, Wc;st, also investigated here, for which neither Hermiticity nor that thermalization hold, in general. For closed classical many-particle systems without hb (by using Wc,eq, the long-time approximate thermalization for three-term hierarchies is justified and yields an approximate Lyapunov function and an arrow of time. The largest part of the work treats an open quantum one-particle system through the non-equilibrium Wigner function, W. Weq for a repulsive finite square well is reported. W’s (< 0 in various cases are assumed to be quasi-definite functionals regarding their dependences on momentum (q. That yields orthogonal polynomials, HQ,n(q, for Weq (and for stationary Wst, non-equilibrium moments, Wn, of W and hierarchies. For the first excited state of the harmonic oscillator, its stationary Wst is a quasi-definite functional, and the orthogonal polynomials and three-term hierarchy are studied. In general, the non-equilibrium quantum hierarchies (associated with Weq for the Wn’s are not three-term ones. As an illustration, we outline a non-equilibrium four-term hierarchy and its solution in terms of generalized operator continued fractions. Such structures also allow one to formulate long-time approximations, but make it more difficult to justify thermalization. For large thermal and de Broglie wavelengths, the dominant Weq and a non-equilibrium equation for W are reported: the non-equilibrium hierarchy could plausibly be a three-term one and possibly not

  18. A Method of Approximating Expectations of Functions of Sums of Independent Random Variables

    OpenAIRE

    Klass, Michael J.

    1981-01-01

    Let $X_1, X_2, \\cdots$ be a sequence of independent random variables with $S_n = \\sum^n_{i = 1} X_i$. Fix $\\alpha > 0$. Let $\\Phi(\\cdot)$ be a continuous, strictly increasing function on $\\lbrack 0, \\infty)$ such that $\\Phi(0) = 0$ and $\\Phi(cx) \\leq c^\\alpha\\Phi(x)$ for all $x > 0$ and all $c \\geq 2$. Suppose $a$ is a real number and $J$ is a finite nonempty subset of the positive integers. In this paper we are interested in approximating $E \\max_{j \\in J} \\Phi(|a + S_j|)$. We construct a nu...

  19. Integration of large chemical kinetic mechanisms via exponential methods with Krylov approximations to Jacobian matrix functions

    KAUST Repository

    Bisetti, Fabrizio

    2012-06-01

    Recent trends in hydrocarbon fuel research indicate that the number of species and reactions in chemical kinetic mechanisms is rapidly increasing in an effort to provide predictive capabilities for fuels of practical interest. In order to cope with the computational cost associated with the time integration of stiff, large chemical systems, a novel approach is proposed. The approach combines an exponential integrator and Krylov subspace approximations to the exponential function of the Jacobian matrix. The components of the approach are described in detail and applied to the ignition of stoichiometric methane-air and iso-octane-air mixtures, here described by two widely adopted chemical kinetic mechanisms. The approach is found to be robust even at relatively large time steps and the global error displays a nominal third-order convergence. The performance of the approach is improved by utilising an adaptive algorithm for the selection of the Krylov subspace size, which guarantees an approximation to the matrix exponential within user-defined error tolerance. The Krylov projection of the Jacobian matrix onto a low-dimensional space is interpreted as a local model reduction with a well-defined error control strategy. Finally, the performance of the approach is discussed with regard to the optimal selection of the parameters governing the accuracy of its individual components. © 2012 Copyright Taylor and Francis Group, LLC.

  20. An approximate reasoning-based method for screening high-level-waste tanks for flammable gas

    International Nuclear Information System (INIS)

    Eisenhawer, S.W.; Bott, T.F.; Smith, R.E.

    2000-01-01

    The in situ retention of flammable gas produced by radiolysis and thermal decomposition in high-level waste can pose a safety problem if the gases are released episodically into the dome space of a storage tank. Screening efforts at the Hanford site have been directed at identifying tanks in which this situation could exist. Problems encountered in screening motivated an effort to develop and improved screening methodology. Approximate reasoning (AR) is a formalism designed to emulate the kinds of complex judgments made by subject matter experts. It uses inductive logic structures to build a sequence of forward-chaining inferences about a subject. Approximate-reasoning models incorporate natural language expressions known as linguistic variables to represent evidence. The use of fuzzy sets to represent these variables mathematically makes it practical to evaluate quantitative and qualitative information consistently. In a pilot study to investigate the utility of AR for flammable gas screening, the effort to implement such a model was found to be acceptable, and computational requirements were found to be reasonable. The preliminary results showed that important judgments about the validity of observational data and the predictive power of models could be made. These results give new insights into the problems observed in previous screening efforts

  1. An Approximate Reasoning-Based Method for Screening High-Level-Waste Tanks for Flammable Gas

    International Nuclear Information System (INIS)

    Eisenhawer, Stephen W.; Bott, Terry F.; Smith, Ronald E.

    2000-01-01

    The in situ retention of flammable gas produced by radiolysis and thermal decomposition in high-level waste can pose a safety problem if the gases are released episodically into the dome space of a storage tank. Screening efforts at the Hanford site have been directed at identifying tanks in which this situation could exist. Problems encountered in screening motivated an effort to develop an improved screening methodology. Approximate reasoning (AR) is a formalism designed to emulate the kinds of complex judgments made by subject matter experts. It uses inductive logic structures to build a sequence of forward-chaining inferences about a subject. Approximate-reasoning models incorporate natural language expressions known as linguistic variables to represent evidence. The use of fuzzy sets to represent these variables mathematically makes it practical to evaluate quantitative and qualitative information consistently. In a pilot study to investigate the utility of AR for flammable gas screening, the effort to implement such a model was found to be acceptable, and computational requirements were found to be reasonable. The preliminary results showed that important judgments about the validity of observational data and the predictive power of models could be made. These results give new insights into the problems observed in previous screening efforts

  2. An approximate reasoning-based method for screening high-level-waste tanks for flammable gas

    Energy Technology Data Exchange (ETDEWEB)

    Eisenhawer, S.W.; Bott, T.F.; Smith, R.E.

    2000-06-01

    The in situ retention of flammable gas produced by radiolysis and thermal decomposition in high-level waste can pose a safety problem if the gases are released episodically into the dome space of a storage tank. Screening efforts at the Hanford site have been directed at identifying tanks in which this situation could exist. Problems encountered in screening motivated an effort to develop and improved screening methodology. Approximate reasoning (AR) is a formalism designed to emulate the kinds of complex judgments made by subject matter experts. It uses inductive logic structures to build a sequence of forward-chaining inferences about a subject. Approximate-reasoning models incorporate natural language expressions known as linguistic variables to represent evidence. The use of fuzzy sets to represent these variables mathematically makes it practical to evaluate quantitative and qualitative information consistently. In a pilot study to investigate the utility of AR for flammable gas screening, the effort to implement such a model was found to be acceptable, and computational requirements were found to be reasonable. The preliminary results showed that important judgments about the validity of observational data and the predictive power of models could be made. These results give new insights into the problems observed in previous screening efforts.

  3. Evaluating the response of complex systems to environmental threats: the Σ II method

    International Nuclear Information System (INIS)

    Corynen, G.C.

    1983-05-01

    The Σ II method was developed to model and compute the probabilistic performance of systems that operate in a threatening environment. Although we emphasize the vulnerability of complex systems to earthquakes and to electromagnetic threats such as EMP (electromagnetic pulse), the method applies in general to most large-scale systems or networks that are embedded in a potentially harmful environment. Other methods exist for obtaining system vulnerability, but their complexity increases exponentially as the size of systems is increased. The complexity of the Σ II method is polynomial, and accurate solutions are now possible for problems for which current methods require the use of rough statistical bounds, confidence statements, and other approximations. For super-large problems, where the costs of precise answers may be prohibitive, a desired accuracy can be specified, and the Σ II algorithms will halt when that accuracy has been reached. We summarize the results of a theoretical complexity analysis - which is reported elsewhere - and validate the theory with computer experiments conducted both on worst-case academic problems and on more reasonable problems occurring in practice. Finally, we compare our method with the exact methods of Abraham and Nakazawa, and with current bounding methods, and we demonstrate the computational efficiency and accuracy of Σ II

  4. Methods of humidity determination Part II: Determination of material humidity

    OpenAIRE

    Rübner, Katrin; Balköse, Devrim; Robens, E.

    2008-01-01

    Part II covers the most common methods of measuring the humidity of solid material. State of water near solid surfaces, gravimetric measurement of material humidity, measurement of water sorption isotherms, chemical methods for determination of water content, measurement of material humidity via the gas phase, standardisation, cosmonautical observations are reviewed.

  5. Lorentz covariance of an extended object in the tree approximation. II. Nonspherical object in 3+1 dimensions

    International Nuclear Information System (INIS)

    Umezawa, M.

    1983-01-01

    This is the second in the series of the papers in which we investigate the Lorentz covariance of the extended object. In this paper we examine the covariance of the deformed object in 3+1 dimensions in the tree approximation. We construct the solution of the Euler equation, which is Lorentz covariant. In such a covariant solution, the variables associated with the rotational and the translational zero modes appear as classical quantum mechanical operators. Consequently the covariant solution has an intrinsic spin, in addition to the intrinsic quantum mechanical momenta. Then, at the end of this work we will show that such a covariant solution can be obtained also by quantizing a classical solution of the Euler equation, having extra variables signifying the center and the orientation of the deformed object. In the tree approximation, the energy--momentum and the relativistic angular momentum of the extended object psi become pure classical quantum mechanical operators, having been integrated over the space. Then it is proven that such four-momenta and angular momentum operators form a classical quantum mechanics presented in a relativistic manner. The center of mass of the extended object, often called collective coordinate, is shown to be made of these four-momentum and angular momentum

  6. Approximate Analytical Solutions for Mathematical Model of Tumour Invasion and Metastasis Using Modified Adomian Decomposition and Homotopy Perturbation Methods

    Directory of Open Access Journals (Sweden)

    Norhasimah Mahiddin

    2014-01-01

    Full Text Available The modified decomposition method (MDM and homotopy perturbation method (HPM are applied to obtain the approximate solution of the nonlinear model of tumour invasion and metastasis. The study highlights the significant features of the employed methods and their ability to handle nonlinear partial differential equations. The methods do not need linearization and weak nonlinearity assumptions. Although the main difference between MDM and Adomian decomposition method (ADM is a slight variation in the definition of the initial condition, modification eliminates massive computation work. The approximate analytical solution obtained by MDM logically contains the solution obtained by HPM. It shows that HPM does not involve the Adomian polynomials when dealing with nonlinear problems.

  7. Approximate method for treating dispersion in one-way quantum channels

    International Nuclear Information System (INIS)

    Stace, T. M.; Wiseman, H. M.

    2006-01-01

    Coupling the output of a source quantum system into a target quantum system is easily treated by cascaded systems theory if the intervening quantum channel is dispersionless. However, dispersion may be important in some transfer protocols, especially in solid-state systems. In this paper we show how to generalize cascaded systems theory to treat such dispersion, provided it is not too strong. We show that the technique also works for fermionic systems with a low flux, and can be extended to treat fermionic systems with large flux. To test our theory, we calculate the effect of dispersion on the fidelity of a simple protocol of quantum state transfer. We find good agreement with an approximate analytical theory that had been previously developed for this example

  8. Approximation of a chaotic orbit as a cryptanalytical method on Baptista's cipher

    International Nuclear Information System (INIS)

    Skrobek, Adrian

    2008-01-01

    Many cryptographic schemes based on M.S. Baptista algorithm were created. The original algorithm and some of the versions that based upon it were put to test with various cryptanalytic techniques. This Letter shows the new approach to Baptista's cipher cryptanalysis. The presumption is that the attacker knows the mapping in between the characters of the plaintext and the numbers of the ε-interval. Then, depending on the amount of the knowledge about the key possessed, the estimation of all components of the key requires a different computational complexity, however it is possible. This Letter also takes into consideration, independently, all the components of the key from the M.S. Baptista's original algorithm. The main aim is the use of the approximation of the blurred chaotic orbit's real value in Baptista-type cipher cryptanalysis

  9. Parallel iterative procedures for approximate solutions of wave propagation by finite element and finite difference methods

    Energy Technology Data Exchange (ETDEWEB)

    Kim, S. [Purdue Univ., West Lafayette, IN (United States)

    1994-12-31

    Parallel iterative procedures based on domain decomposition techniques are defined and analyzed for the numerical solution of wave propagation by finite element and finite difference methods. For finite element methods, in a Lagrangian framework, an efficient way for choosing the algorithm parameter as well as the algorithm convergence are indicated. Some heuristic arguments for finding the algorithm parameter for finite difference schemes are addressed. Numerical results are presented to indicate the effectiveness of the methods.

  10. Hybridization of Sensing Methods of the Search Domain and Adaptive Weighted Sum in the Pareto Approximation Problem

    Directory of Open Access Journals (Sweden)

    A. P. Karpenko

    2015-01-01

    Full Text Available We consider the relatively new and rapidly developing class of methods to solve a problem of multi-objective optimization, based on the preliminary built finite-dimensional approximation of the set, and thereby, the Pareto front of this problem as well. The work investigates the efficiency of several modifications of the method of adaptive weighted sum (AWS. This method proposed in the paper of Ryu and Kim Van (JH. Ryu, S. Kim, H. Wan is intended to build Pareto approximation of the multi-objective optimization problem.The AWS method uses quadratic approximation of the objective functions in the current sub-domain of the search space (the area of trust based on the gradient and Hessian matrix of the objective functions. To build the (quadratic meta objective functions this work uses methods of the experimental design theory, which involves calculating the values of these functions in the grid nodes covering the area of trust (a sensing method of the search domain. There are two groups of the sensing methods under consideration: hypercube- and hyper-sphere-based methods. For each of these groups, a number of test multi-objective optimization tasks has been used to study the efficiency of the following grids: "Latin Hypercube"; grid, which is uniformly random for each measurement; grid, based on the LP  sequences.

  11. Approximation Methods for Inference and Learning in Belief Networks: Progress and Future Directions

    National Research Council Canada - National Science Library

    Pazzan, Michael

    1997-01-01

    .... In this research project, we have investigated methods and implemented algorithms for efficiently making certain classes of inference in belief networks, and for automatically learning certain...

  12. A summary of methods for approximating salt creep and disposal room closure in numerical models of multiphase flow

    Energy Technology Data Exchange (ETDEWEB)

    Freeze, G.A.; Larson, K.W. [INTERA, Inc., Albuquerque, NM (United States); Davies, P.B. [Sandia National Labs., Albuquerque, NM (United States)

    1995-10-01

    Eight alternative methods for approximating salt creep and disposal room closure in a multiphase flow model of the Waste Isolation Pilot Plant (WIPP) were implemented and evaluated: Three fixed-room geometries three porosity functions and two fluid-phase-salt methods. The pressure-time-porosity line interpolation method is the method used in current WIPP Performance Assessment calculations. The room closure approximation methods were calibrated against a series of room closure simulations performed using a creep closure code, SANCHO. The fixed-room geometries did not incorporate a direct coupling between room void volume and room pressure. The two porosity function methods that utilized moles of gas as an independent parameter for closure coupling. The capillary backstress method was unable to accurately simulate conditions of re-closure of the room. Two methods were found to be accurate enough to approximate the effects of room closure; the boundary backstress method and pressure-time-porosity line interpolation. The boundary backstress method is a more reliable indicator of system behavior due to a theoretical basis for modeling salt deformation as a viscous process. It is a complex method and a detailed calibration process is required. The pressure lines method is thought to be less reliable because the results were skewed towards SANCHO results in simulations where the sequence of gas generation was significantly different from the SANCHO gas-generation rate histories used for closure calibration. This limitation in the pressure lines method is most pronounced at higher gas-generation rates and is relatively insignificant at lower gas-generation rates. Due to its relative simplicity, the pressure lines method is easier to implement in multiphase flow codes and simulations have a shorter execution time.

  13. A summary of methods for approximating salt creep and disposal room closure in numerical models of multiphase flow

    International Nuclear Information System (INIS)

    Freeze, G.A.; Larson, K.W.; Davies, P.B.

    1995-10-01

    Eight alternative methods for approximating salt creep and disposal room closure in a multiphase flow model of the Waste Isolation Pilot Plant (WIPP) were implemented and evaluated: Three fixed-room geometries three porosity functions and two fluid-phase-salt methods. The pressure-time-porosity line interpolation method is the method used in current WIPP Performance Assessment calculations. The room closure approximation methods were calibrated against a series of room closure simulations performed using a creep closure code, SANCHO. The fixed-room geometries did not incorporate a direct coupling between room void volume and room pressure. The two porosity function methods that utilized moles of gas as an independent parameter for closure coupling. The capillary backstress method was unable to accurately simulate conditions of re-closure of the room. Two methods were found to be accurate enough to approximate the effects of room closure; the boundary backstress method and pressure-time-porosity line interpolation. The boundary backstress method is a more reliable indicator of system behavior due to a theoretical basis for modeling salt deformation as a viscous process. It is a complex method and a detailed calibration process is required. The pressure lines method is thought to be less reliable because the results were skewed towards SANCHO results in simulations where the sequence of gas generation was significantly different from the SANCHO gas-generation rate histories used for closure calibration. This limitation in the pressure lines method is most pronounced at higher gas-generation rates and is relatively insignificant at lower gas-generation rates. Due to its relative simplicity, the pressure lines method is easier to implement in multiphase flow codes and simulations have a shorter execution time

  14. A Gradient Weighted Moving Finite-Element Method with Polynomial Approximation of Any Degree

    Directory of Open Access Journals (Sweden)

    Ali R. Soheili

    2009-01-01

    Full Text Available A gradient weighted moving finite element method (GWMFE based on piecewise polynomial of any degree is developed to solve time-dependent problems in two space dimensions. Numerical experiments are employed to test the accuracy and effciency of the proposed method with nonlinear Burger equation.

  15. Numerical approximations of nonlinear fractional differential difference equations by using modified He-Laplace method

    Directory of Open Access Journals (Sweden)

    J. Prakash

    2016-03-01

    Full Text Available In this paper, a numerical algorithm based on a modified He-Laplace method (MHLM is proposed to solve space and time nonlinear fractional differential-difference equations (NFDDEs arising in physical phenomena such as wave phenomena in fluids, coupled nonlinear optical waveguides and nanotechnology fields. The modified He-Laplace method is a combined form of the fractional homotopy perturbation method and Laplace transforms method. The nonlinear terms can be easily decomposed by the use of He’s polynomials. This algorithm has been tested against time-fractional differential-difference equations such as the modified Lotka Volterra and discrete (modified KdV equations. The proposed scheme grants the solution in the form of a rapidly convergent series. Three examples have been employed to illustrate the preciseness and effectiveness of the proposed method. The achieved results expose that the MHLM is very accurate, efficient, simple and can be applied to other nonlinear FDDEs.

  16. A mathematical model and an approximate method for calculating the fracture characteristics of nonmetallic materials during laser cutting

    Energy Technology Data Exchange (ETDEWEB)

    Smorodin, F.K.; Druzhinin, G.V.

    1991-01-01

    A mathematical model is proposed which describes the fracture behavior of amorphous materials during laser cutting. The model, which is based on boundary layer equations, is reduced to ordinary differential equations with the corresponding boundary conditions. The reduced model is used to develop an approximate method for calculating the fracture characteristics of nonmetallic materials.

  17. Panel cutting method: new approach to generate panels on a hull in Rankine source potential approximation

    Directory of Open Access Journals (Sweden)

    Hee-Jong Choi

    2011-12-01

    Full Text Available In the present study, a new hull panel generation algorithm, namely panel cutting method, was developed to predict flow phenomena around a ship using the Rankine source potential based panel method, where the iterative method was used to satisfy the nonlinear free surface condition and the trim and sinkage of the ship was taken into account. Numerical computations were performed to investigate the validity of the proposed hull panel generation algorithm for Series 60 (CB=0.60 hull and KRISO container ship (KCS, a container ship designed by Maritime and Ocean Engineering Research Institute (MOERI. The computational results were validated by comparing with the existing experimental data.

  18. Panel cutting method: new approach to generate panels on a hull in Rankine source potential approximation

    Science.gov (United States)

    Choi, Hee-Jong; Chun, Ho-Hwan; Park, Il-Ryong; Kim, Jin

    2011-12-01

    In the present study, a new hull panel generation algorithm, namely panel cutting method, was developed to predict flow phenomena around a ship using the Rankine source potential based panel method, where the iterative method was used to satisfy the nonlinear free surface condition and the trim and sinkage of the ship was taken into account. Numerical computations were performed to investigate the validity of the proposed hull panel generation algorithm for Series 60 (CB=0.60) hull and KRISO container ship (KCS), a container ship designed by Maritime and Ocean Engineering Research Institute (MOERI). The computational results were validated by comparing with the existing experimental data.

  19. An approximate-reasoning-based method for screening high-level waste tanks for flammable gas

    International Nuclear Information System (INIS)

    Eisenhawer, S.W.; Bott, T.F.; Smith, R.E.

    1998-01-01

    The in situ retention of flammable gas produced by radiolysis and thermal decomposition in high-level waste can pose a safety problem if the gases are released episodically into the dome space of a storage tank. Screening efforts at Hanford have been directed at identifying tanks in which this situation could exist. Problems encountered in screening motivated an effort to develop an improved screening methodology. Approximate reasoning (AR) is a formalism designed to emulate the kinds of complex judgments made by subject matter experts. It uses inductive logic structures to build a sequence of forward-chaining inferences about a subject. AR models incorporate natural language expressions known as linguistic variables to represent evidence. The use of fuzzy sets to represent these variables mathematically makes it practical to evaluate quantitative and qualitative information consistently. The authors performed a pilot study to investigate the utility of AR for flammable gas screening. They found that the effort to implement such a model was acceptable and that computational requirements were reasonable. The preliminary results showed that important judgments about the validity of observational data and the predictive power of models could be made. These results give new insights into the problems observed in previous screening efforts

  20. An analytic, approximate method for modeling steady, three-dimensional flow to partially penetrating wells

    Science.gov (United States)

    Bakker, Mark

    2001-05-01

    An analytic, approximate solution is derived for the modeling of three-dimensional flow to partially penetrating wells. The solution is written in terms of a correction on the solution for a fully penetrating well and is obtained by dividing the aquifer up, locally, in a number of aquifer layers. The resulting system of differential equations is solved by application of the theory for multiaquifer flow. The presented approach has three major benefits. First, the solution may be applied to any groundwater model that can simulate flow to a fully penetrating well; the solution may be superimposed onto the solution for the fully penetrating well to simulate the local three-dimensional drawdown and flow field. Second, the approach is applicable to isotropic, anisotropic, and stratified aquifers and to both confined and unconfined flow. Third, the solution extends over a small area around the well only; outside this area the three-dimensional effect of the partially penetrating well is negligible, and no correction to the fully penetrating well is needed. A number of comparisons are made to existing three-dimensional, analytic solutions, including radial confined and unconfined flow and a well in a uniform flow field. It is shown that a subdivision in three layers is accurate for many practical cases; very accurate solutions are obtained with more layers.

  1. Quantum theory of anharmonic oscillators - a variational and systematic general approximation method

    International Nuclear Information System (INIS)

    Yamazaki, K.; Kyoto Univ.

    1984-01-01

    The paper investigates the energy levels and wavefunctions of an anharmonic oscillator characterised by the potential 1/2ω 2 q 2 +lambdaq 4 . As a lowest-order approximation an extremely simple formula for energy levels, Esub(i)sup(0) = (i+1/2)1/4(3/αsub(i)+αsub(i)), is derived (i being the quantum number of the energy level). This formula reproduces the exact energy levels within an error of about 1%. Systematically higher orders of the present perturbation theory are developed. The present second-order perturbation theory reduces the errors of the lowest-order results by a factor of about 1/5 in general. Various ranges (large, intermediate, small) of (i, lambda) are investigated and compared with the exact values obtained by other workers. For i = 0, 1, even the fourth-order perturbation calculation can be elaborated explicitly, which reduces the error to about 0.01% for any lambda. For small lambda it gives correct numerical coefficients up to lambda 4 terms, as it should. (author)

  2. Implementation of Active Learning Method in Unit Operations II Subject

    OpenAIRE

    Ma'mun, Sholeh

    2018-01-01

    ABSTRACT: Active Learning Method which requires students to take an active role in the process of learning in the classroom has been applied in Department of Chemical Engineering, Faculty of Industrial Technology, Islamic University of Indonesia for Unit Operations II subject in the Even Semester of Academic Year 2015/2016. The purpose of implementation of the learning method is to assist students in achieving competencies associated with the Unit Operations II subject and to help in creating...

  3. Approximation of the Doppler broadening function by Frobenius method; Aproximacao da funcao de alargamento doppler atraves do metodo de Frobenius

    Energy Technology Data Exchange (ETDEWEB)

    Palma, Daniel A.P. [Centro Federal de Educacao Tecnologica de Quimica de Nilopolis/RJ (CEFET), RJ (Brazil)]. E-mail: dpalma@cefeteq.br; Martinez, Aquilino S.; Silva, Fernando C. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear]. E-mail: aquilino@lmp.ufrj.br; fernando@lmn.con.ufrj.br

    2005-07-01

    An analytical approximation of the Doppler broadening function {psi}(x,{xi}) is proposed. This approximation is based on the solution of the differential equation for {psi}(x,{xi}) using the methods of Frobenius and the parameters variation. The analytical form derived for {psi}(x,{xi}) in terms of elementary functions is very simple and precise. It can be useful for applications related to the treatment of nuclear resonances mainly for the calculations of multigroup parameters and self-protection factors of the resonances, being the last used to correct microscopic cross-sections measurements by the activation technique. (author)

  4. Novel diagrammatic method for computing transport coefficients - beyond the Boltzmann approximation

    International Nuclear Information System (INIS)

    Hidaka, Y.; Kunihiro, T.

    2010-01-01

    We propose a novel diagrammatic method for computing transport coefficients in relativistic quantum field theory. Our method is based on a reformulation and extension of the diagrammatic method by Eliashberg given in the imaginary-time formalism to the relativistic quantum field theory in the real-time formalism, in which the cumbersome analytical continuation problem can be avoided. The transport coefficients are obtained from a two-point function via Kubo formula. It is know that naive perturbation theory breaks down owing to a so called pinch singularity, and hence a resummation is required for getting a finite and sensible result. As a novel resummation method, we first decompose the two point function into the singular part and the regular part, and then reconstruct the diagrams. We find that a self-consistent equation for the two-point function has the same structure as the linearized Boltzmann equation. It is known that the two-point function at the leading order is equivalent to the linearized Boltzmann equation. We find the higher order corrections are nicely summarized as a renormalization of the vertex function, spectral function, and collision term. We also discuss the critical behavior of the transport coefficients near a phase transition, applying our method. (author)

  5. Eyeball Position in Facial Approximation: Accuracy of Methods for Predicting Globe Positioning in Lateral View.

    Science.gov (United States)

    Zednikova Mala, Pavla; Veleminska, Jana

    2018-01-01

    This study measured the accuracy of traditional and validated newly proposed methods for globe positioning in lateral view. Eighty lateral head cephalograms of adult subjects from Central Europe were taken, and the actual and predicted dimensions were compared. The anteroposterior eyeball position was estimated as the most accurate method based on the proportion of the orbital height (SEE = 1.9 mm) and was followed by the "tangent to the iris method" showing SEE = 2.4 mm. The traditional "tangent to the cornea method" underestimated the eyeball projection by SEE = 5.8 mm. Concerning the superoinferior eyeball position, the results showed a deviation from a central to a more superior position by 0.3 mm, on average, and the traditional method of central positioning of the globe could not be rejected as inaccurate (SEE = 0.3 mm). Based on regression analyzes or proportionality of the orbital height, the SEE = 2.1 mm. © 2017 American Academy of Forensic Sciences.

  6. An approximate-reasoning-based method for screening flammable gas tanks

    International Nuclear Information System (INIS)

    Eisenhawer, S.W.; Bott, T.F.; Smith, R.E.

    1998-03-01

    High-level waste (HLW) produces flammable gases as a result of radiolysis and thermal decomposition of organics. Under certain conditions, these gases can accumulate within the waste for extended periods and then be released quickly into the dome space of the storage tank. As part of the effort to reduce the safety concerns associated with flammable gas in HLW tanks at Hanford, a flammable gas watch list (FGWL) has been established. Inclusion on the FGWL is based on criteria intended to measure the risk associated with the presence of flammable gas. It is important that all high-risk tanks be identified with high confidence so that they may be controlled. Conversely, to minimize operational complexity, the number of tanks on the watchlist should be reduced as near to the true number of flammable risk tanks as the current state of knowledge will support. This report presents an alternative to existing approaches for FGWL screening based on the theory of approximate reasoning (AR) (Zadeh 1976). The AR-based model emulates the inference process used by an expert when asked to make an evaluation. The FGWL model described here was exercised by performing two evaluations. (1) A complete tank evaluation where the entire algorithm is used. This was done for two tanks, U-106 and AW-104. U-106 is a single shell tank with large sludge and saltcake layers. AW-104 is a double shell tank with over one million gallons of supernate. Both of these tanks had failed the screening performed by Hodgson et al. (2) Partial evaluations using a submodule for the predictor likelihood for all of the tanks on the FGWL that had been flagged previously by Whitney (1995)

  7. About the method of approximation of a simple closed plane curve with a sharp edge

    Directory of Open Access Journals (Sweden)

    Zelenyy A.S.

    2017-02-01

    Full Text Available it was noted in the article, that initially the problem of interpolation of the simple plane curve arose in the problem of simulation of subsonic flow around a body with the subsequent calculation of the velocity potential using the vortex panel method. However, as it turned out, the practical importance of this method is much wider. This algorithm can be successfully applied in any task that requires a discrete set of points which describe an arbitrary curve: potential function method, flow around an airfoil with the trailing edge (airfoil, liquid drop, etc., analytic expression, which is very difficult to obtain, creation of the font and logo and in some tasks of architecture and garment industry.

  8. Approximate calculation method for integral of mean square value of nonstationary response

    International Nuclear Information System (INIS)

    Aoki, Shigeru; Fukano, Azusa

    2010-01-01

    The response of the structure subjected to nonstationary random vibration such as earthquake excitation is nonstationary random vibration. Calculating method for statistical characteristics of such a response is complicated. Mean square value of the response is usually used to evaluate random response. Integral of mean square value of the response corresponds to total energy of the response. In this paper, a simplified calculation method to obtain integral of mean square value of the response is proposed. As input excitation, nonstationary white noise and nonstationary filtered white noise are used. Integrals of mean square value of the response are calculated for various values of parameters. It is found that the proposed method gives exact value of integral of mean square value of the response.

  9. Approximation of the Monte Carlo Sampling Method for Reliability Analysis of Structures

    Directory of Open Access Journals (Sweden)

    Mahdi Shadab Far

    2016-01-01

    Full Text Available Structural load types, on the one hand, and structural capacity to withstand these loads, on the other hand, are of a probabilistic nature as they cannot be calculated and presented in a fully deterministic way. As such, the past few decades have witnessed the development of numerous probabilistic approaches towards the analysis and design of structures. Among the conventional methods used to assess structural reliability, the Monte Carlo sampling method has proved to be very convenient and efficient. However, it does suffer from certain disadvantages, the biggest one being the requirement of a very large number of samples to handle small probabilities, leading to a high computational cost. In this paper, a simple algorithm was proposed to estimate low failure probabilities using a small number of samples in conjunction with the Monte Carlo method. This revised approach was then presented in a step-by-step flowchart, for the purpose of easy programming and implementation.

  10. On the application of the Williams-Weizsaecker-method to higher order S-matrix-approximations

    International Nuclear Information System (INIS)

    Ziegelbecker, R.C.

    1983-05-01

    In this paper the method of quasireal processes is investigated using a special example - pair production in the stationary field of a nucleus by an incident electron. As a result, the semi-classical version of the Williams-Weizsaecker-method is confirmed on the basis of all 3sup(rd)-order Feynman-diagrams. The spectra of quasireal processes, derived from quantum field theory, can also be applied simultaneously in several vertex points on one diagram and are valid for higher photon energies than the semiclassical spectrum; the restriction #betta# [de

  11. Approximate solutions for the two-dimensional integral transport equation. The critically mixed methods of resolution

    International Nuclear Information System (INIS)

    Sanchez, Richard.

    1980-11-01

    This work is divided into two part the first part (note CEA-N-2165) deals with the solution of complex two-dimensional transport problems, the second one treats the critically mixed methods of resolution. These methods are applied for one-dimensional geometries with highly anisotropic scattering. In order to simplify the set of integral equation provided by the integral transport equation, the integro-differential equation is used to obtain relations that allow to lower the number of integral equation to solve; a general mathematical and numerical study is presented [fr

  12. Approximation for Transient of Nonlinear Circuits Using RHPM and BPES Methods

    Directory of Open Access Journals (Sweden)

    H. Vazquez-Leal

    2013-01-01

    Full Text Available The microelectronics area constantly demands better and improved circuit simulation tools. Therefore, in this paper, rational homotopy perturbation method and Boubaker Polynomials Expansion Scheme are applied to a differential equation from a nonlinear circuit. Comparing the results obtained by both techniques revealed that they are effective and convenient.

  13. MOSS-5: A Fast Method of Approximating Counts of 5-Node Graphlets in Large Graphs

    KAUST Repository

    Wang, Pinghui

    2017-09-26

    Counting 3-, 4-, and 5-node graphlets in graphs is important for graph mining applications such as discovering abnormal/evolution patterns in social and biology networks. In addition, it is recently widely used for computing similarities between graphs and graph classification applications such as protein function prediction and malware detection. However, it is challenging to compute these metrics for a large graph or a large set of graphs due to the combinatorial nature of the problem. Despite recent efforts in counting triangles (a 3-node graphlet) and 4-node graphlets, little attention has been paid to characterizing 5-node graphlets. In this paper, we develop a computationally efficient sampling method to estimate 5-node graphlet counts. We not only provide fast sampling methods and unbiased estimators of graphlet counts, but also derive simple yet exact formulas for the variances of the estimators which is of great value in practice-the variances can be used to bound the estimates\\' errors and determine the smallest necessary sampling budget for a desired accuracy. We conduct experiments on a variety of real-world datasets, and the results show that our method is several orders of magnitude faster than the state-of-the-art methods with the same accuracy.

  14. An approximate method of short-term tsunami forecast and the hindcasting of some recent events

    Directory of Open Access Journals (Sweden)

    Yu. P. Korolev

    2011-11-01

    Full Text Available The paper presents a method for a short-term tsunami forecast based on sea level data from remote sites. This method is based on Green's function for the wave equation possessing the fundamental property of symmetry. This property is well known in acoustics and seismology as the reciprocity principle. Some applications of this principle on tsunami research are considered in the current study. Simple relationships and estimated transfer functions enabled us to simulate tsunami waveforms for any selected oceanic point based only on the source location and sea level data from a remote reference site. The important advantage of this method is that it is irrespective of the actual source mechanism (seismic, submarine landslide or other phenomena. The method was successfully applied to hindcast several recent tsunamis observed in the Northwest Pacific. The locations of the earthquake epicenters and the tsunami records from one of the NOAA DART sites were used as inputs for the modelling, while tsunami observations at other DART sites were used to verify the model. Tsunami waveforms for the 2006, 2007 and 2009 earthquake events near Simushir Island were simulated and found to be in good agreement with the observations. The correlation coefficients between the predicted and observed tsunami waveforms were from 0.50 to 0.85. Thus, the proposed method can be effectively used to simulate tsunami waveforms for the entire ocean and also for both regional and local tsunami warning services, assuming that they have access to the real-time sea level data from DART stations.

  15. Approximation methods in loop quantum cosmology: from Gowdy cosmologies to inhomogeneous models in Friedmann–Robertson–Walker geometries

    International Nuclear Information System (INIS)

    Martín-Benito, Mercedes; Martín-de Blas, Daniel; Marugán, Guillermo A Mena

    2014-01-01

    We develop approximation methods in the hybrid quantization of the Gowdy model with linear polarization and a massless scalar field, for the case of three-torus spatial topology. The loop quantization of the homogeneous gravitational sector of the Gowdy model (according to the improved dynamics prescription) and the presence of inhomogeneities lead to a very complicated Hamiltonian constraint. Therefore, the extraction of physical results calls for the introduction of well justified approximations. We first show how to approximate the homogeneous part of the Hamiltonian constraint, corresponding to Bianchi I geometries, as if it described a Friedmann–Robertson–Walker (FRW) model corrected with anisotropies. This approximation is valid in the sector of high energies of the FRW geometry (concerning its contribution to the constraint) and for anisotropy profiles that are sufficiently smooth. In addition, for certain families of states related to regimes of physical interest, with negligible quantum effects of the anisotropies and small inhomogeneities, one can approximate the Hamiltonian constraint of the inhomogeneous system by that of an FRW geometry with a relatively simple matter content, and then obtain its solutions. (paper)

  16. The Strutinsky method and its foundation from the Hartree-Fock-Bogoliubov approximation at finite temperature

    International Nuclear Information System (INIS)

    Brack, M.

    1981-01-01

    Strutinsky's shell-correction method is investigated in the framework of the microscopial Hartree-Fock-Bogoliubov method at finite temperature HFBT. Applying the Strutinsky energy averaging consistently to the normal and abnormal density matrices and to the entropy, we define a self-consistently average HFBT system as the solution of a variational problem. From the latter we derive the generalized Strutinsky energy theorem and the explicit expressions for the shell correction of a statistically excited system of BCS quasiparticles. Using numerical results of HF calculations, we demonstrate the convergence of the Strutinsky expansion and estimate the validity of the partical shell-correction approach. We also discuss the close connections of the Strutinsky energy averaging with semiclassical expansions and their usefulness for solving the average nuclear self-consistency problem. In particular we argue that the Hohenberg-Kohn theorem should hold for the averaged HFBT system and we thus provide a justification of the use of semiclassical density functionals. (orig.)

  17. A numeric-analytic method for approximating the chaotic Chen system

    International Nuclear Information System (INIS)

    Mossa Al-sawalha, M.; Noorani, M.S.M.

    2009-01-01

    The epitome of this paper centers on the application of the differential transformation method (DTM) the renowned Chen system which is described as a three-dimensional system of ODEs with quadratic nonlinearities. Numerical comparisons are made between the DTM and the classical fourth-order Runge-Kutta method (RK4). Our work showcases the precision of the DTM as the Chen system transforms from a non-chaotic system to a chaotic one. Since the Lyapunov exponent for this system is much higher compared to other chaotic systems, we shall highlight the difficulties of the simulations with respect to its accuracy. We wrap up our investigations to reveal that this direct symbolic-numeric scheme is effective and accurate.

  18. Method Ideology and State: Approximations based on Marx’s legacy

    Directory of Open Access Journals (Sweden)

    Davi Machado Perez

    2018-02-01

    Full Text Available This essay is the fruit of bibliographic research and offers reflections about the Marxist concepts of method, ideology and state, to question the idea that there is an economic determinism in the work of Karl Marx. It then dialogs with current Marxist authors who address the state in the era of monopoly capitalism, reaffirming Marx’s legacy as an essential starting point for the development of studies about the modern and contemporary state.

  19. Testing a Novel Method to Approximate Wood Specific Gravity of Trees

    Science.gov (United States)

    Michael C. Wiemann; G. Bruce. Williamson

    2012-01-01

    Wood specific gravity (SG) has long been used by foresters as an index for wood properties. More recently, SG has been widely used by ecologists as a plant functional trait and as a key variable in estimates of biomass. However, sampling wood to determine SG can be problematic; at present, the most common method is sampling with an increment borer to extract a bark-to-...

  20. An attempt to use FMEA method for an approximate reliability assessment of machinery

    Directory of Open Access Journals (Sweden)

    Przystupa Krzysztof

    2017-01-01

    Full Text Available The paper presents a modified FMEA (Failure Mode and Effect Analysis method to assess reliability of the components that make up a wrench type 2145: MAX Impactol TM Driver Ingersoll Rand Company. This case concerns the analysis of reliability in conditions, when full service data is not known. The aim of the study is to determine the weakest element in the design of the tool.

  1. Entropy Viscosity Method for High-Order Approximations of Conservation Laws

    KAUST Repository

    Guermond, J. L.

    2010-09-17

    A stabilization technique for conservation laws is presented. It introduces in the governing equations a nonlinear dissipation function of the residual of the associated entropy equation and bounded from above by a first order viscous term. Different two-dimensional test cases are simulated - a 2D Burgers problem, the "KPP rotating wave" and the Euler system - using high order methods: spectral elements or Fourier expansions. Details on the tuning of the parameters controlling the entropy viscosity are given. © 2011 Springer.

  2. Linewidth of Cyclotron Absorption in Band-Gap Graphene: Relaxation Time Approximation vs. Monte Carlo Method

    OpenAIRE

    S.V. Kryuchkov; E.I. Kukhar’; D.V. Zav’yalov

    2015-01-01

    The power of the elliptically polarized electromagnetic radiation absorbed by band-gap graphene in presence of constant magnetic field is calculated. The linewidth of cyclotron absorption is shown to be non-zero even if the scattering is absent. The calculations are performed analytically with the Boltzmann kinetic equation and confirmed numerically with the Monte Carlo method. The dependence of the linewidth of the cyclotron absorption on temperature applicable for a band-gap graphene in the...

  3. Entropy Viscosity Method for High-Order Approximations of Conservation Laws

    KAUST Repository

    Guermond, J. L.; Pasquetti, R.

    2010-01-01

    A stabilization technique for conservation laws is presented. It introduces in the governing equations a nonlinear dissipation function of the residual of the associated entropy equation and bounded from above by a first order viscous term. Different two-dimensional test cases are simulated - a 2D Burgers problem, the "KPP rotating wave" and the Euler system - using high order methods: spectral elements or Fourier expansions. Details on the tuning of the parameters controlling the entropy viscosity are given. © 2011 Springer.

  4. Foundation of the semiclassical approximation by means of path integral methods

    International Nuclear Information System (INIS)

    Krisztinkovics, F.

    1984-01-01

    The aim of our study is to find a technically unique semiclassical treatment to describe the collision processes between heavy ions. Thereby it shall be started from a complete quantum mechanical formulation of the collision process. This aim requires: 1. A completely quantum mechanical initial formulation for the whole system, 2. a unique and conceptually clear transition to semiclassics. In order to fulfil the requirements a method is offered which is in closest connection with the Feynman propagator respectively influence functional. (orig./HSI) [de

  5. Numerical approximations for the molecular beam epitaxial growth model based on the invariant energy quadratization method

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiaofeng, E-mail: xfyang@math.sc.edu [Department of Mathematics, University of South Carolina, Columbia, SC 29208 (United States); Zhao, Jia, E-mail: zhao62@math.sc.edu [Department of Mathematics, University of South Carolina, Columbia, SC 29208 (United States); Department of Mathematics, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599 (United States); Wang, Qi, E-mail: qwang@math.sc.edu [Department of Mathematics, University of South Carolina, Columbia, SC 29208 (United States); Beijing Computational Science Research Center, Beijing (China); School of Materials Science and Engineering, Nankai University, Tianjin (China)

    2017-03-15

    The Molecular Beam Epitaxial model is derived from the variation of a free energy, that consists of either a fourth order Ginzburg–Landau double well potential or a nonlinear logarithmic potential in terms of the gradient of a height function. One challenge in solving the MBE model numerically is how to develop proper temporal discretization for the nonlinear terms in order to preserve energy stability at the time-discrete level. In this paper, we resolve this issue by developing a first and second order time-stepping scheme based on the “Invariant Energy Quadratization” (IEQ) method. The novelty is that all nonlinear terms are treated semi-explicitly, and the resulted semi-discrete equations form a linear system at each time step. Moreover, the linear operator is symmetric positive definite and thus can be solved efficiently. We then prove that all proposed schemes are unconditionally energy stable. The semi-discrete schemes are further discretized in space using finite difference methods and implemented on GPUs for high-performance computing. Various 2D and 3D numerical examples are presented to demonstrate stability and accuracy of the proposed schemes.

  6. A Perceptually Reweighted Mixed-Norm Method for Sparse Approximation of Audio Signals

    DEFF Research Database (Denmark)

    Christensen, Mads Græsbøll; Sturm, Bob L.

    2011-01-01

    using standard software. A prominent feature of the new method is that it solves a problem that is closely related to the objective of coding, namely rate-distortion optimization. In computer simulations, we demonstrate the properties of the algorithm and its application to real audio signals.......In this paper, we consider the problem of finding sparse representations of audio signals for coding purposes. In doing so, it is of utmost importance that when only a subset of the present components of an audio signal are extracted, it is the perceptually most important ones. To this end, we...... propose a new iterative algorithm based on two principles: 1) a reweighted l1-norm based measure of sparsity; and 2) a reweighted l2-norm based measure of perceptual distortion. Using these measures, the considered problem is posed as a constrained convex optimization problem that can be solved optimally...

  7. Domain decomposition method for nonconforming finite element approximations of anisotropic elliptic problems on nonmatching grids

    Energy Technology Data Exchange (ETDEWEB)

    Maliassov, S.Y. [Texas A& M Univ., College Station, TX (United States)

    1996-12-31

    An approach to the construction of an iterative method for solving systems of linear algebraic equations arising from nonconforming finite element discretizations with nonmatching grids for second order elliptic boundary value problems with anisotropic coefficients is considered. The technique suggested is based on decomposition of the original domain into nonoverlapping subdomains. The elliptic problem is presented in the macro-hybrid form with Lagrange multipliers at the interfaces between subdomains. A block diagonal preconditioner is proposed which is spectrally equivalent to the original saddle point matrix and has the optimal order of arithmetical complexity. The preconditioner includes blocks for preconditioning subdomain and interface problems. It is shown that constants of spectral equivalence axe independent of values of coefficients and mesh step size.

  8. Approximate spin projected spin-unrestricted density functional theory method: Application to diradical character dependences of second hyperpolarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, Masayoshi, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Minami, Takuya, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Fukui, Hitoshi, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Yoneda, Kyohei, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Shigeta, Yasuteru, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Kishi, Ryohei, E-mail: mnaka@cheng.es.osaka-u.ac.jp [Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Champagne, Benoît; Botek, Edith [Laboratoire de Chimie Théorique, Facultés Universitaires Notre-Dame de la Paix (FUNDP), rue de Bruxelles, 61, 5000 Namur (Belgium)

    2015-01-22

    We develop a novel method for the calculation and the analysis of the one-electron reduced densities in open-shell molecular systems using the natural orbitals and approximate spin projected occupation numbers obtained from broken symmetry (BS), i.e., spin-unrestricted (U), density functional theory (DFT) calculations. The performance of this approximate spin projection (ASP) scheme is examined for the diradical character dependence of the second hyperpolarizability (γ) using several exchange-correlation functionals, i.e., hybrid and long-range corrected UDFT schemes. It is found that the ASP-LC-UBLYP method with a range separating parameter μ = 0.47 reproduces semi-quantitatively the strongly-correlated [UCCSD(T)] result for p-quinodimethane, i.e., the γ variation as a function of the diradical character.

  9. Total-energy Assisted Tight-binding Method Based on Local Density Approximation of Density Functional Theory

    Science.gov (United States)

    Fujiwara, Takeo; Nishino, Shinya; Yamamoto, Susumu; Suzuki, Takashi; Ikeda, Minoru; Ohtani, Yasuaki

    2018-06-01

    A novel tight-binding method is developed, based on the extended Hückel approximation and charge self-consistency, with referring the band structure and the total energy of the local density approximation of the density functional theory. The parameters are so adjusted by computer that the result reproduces the band structure and the total energy, and the algorithm for determining parameters is established. The set of determined parameters is applicable to a variety of crystalline compounds and change of lattice constants, and, in other words, it is transferable. Examples are demonstrated for Si crystals of several crystalline structures varying lattice constants. Since the set of parameters is transferable, the present tight-binding method may be applicable also to molecular dynamics simulations of large-scale systems and long-time dynamical processes.

  10. Application of the first approximation of the K-harmonics method to the O+ states of 16O

    International Nuclear Information System (INIS)

    Alcaras, J.A.C.; Silveira, H.V. da.

    1977-01-01

    The energy levels of the O + states, the charge form factor and the root mean square charge radius of the 16 O were calculated in the first approximation of the K-harmonics method. The calculation were done for six different potentials. The results obtained for the ground state energy, charge form factor and rms charge radius are in agreement with the experimental results, but this is not the case for the energies of the O + excited states

  11. Application of the first approximation of the K-harmonics method to the O+ states of 16O

    International Nuclear Information System (INIS)

    Silveira, H.V. da.

    1977-01-01

    The first (also called basic) approximation of the K-harmonics method is applied to the nucleus of 16 O taken as a system of 8 protons and 8 neutrons interacting through nuclear and coulomb two-body potentials, in order to obtain the spectrum of the O + states of 16 O, and also the charge form factor and the root mean square charge radius [pt

  12. The Impact of Short-Sale Constraints on Asset Allocation Strategies via the Backward Markov Chain Approximation Method

    OpenAIRE

    Carl Chiarella; Chih-Ying Hsiao

    2005-01-01

    This paper considers an asset allocation strategy over a finite period under investment uncertainty and short-sale constraints as a continuous time stochastic control problem. Investment uncertainty is characterised by a stochastic interest rate and inflation risk. If there are no short-sale constraints, the optimal asset allocation strategy can be solved analytically. We consider several kinds of short-sale constraints and employ the backward Markov chain approximation method to explore the ...

  13. An adaptive meshfree method for phase-field models of biomembranes. Part I: Approximation with maximum-entropy basis functions

    OpenAIRE

    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...

  14. Bayesian prediction of future ice sheet volume using local approximation Markov chain Monte Carlo methods

    Science.gov (United States)

    Davis, A. D.; Heimbach, P.; Marzouk, Y.

    2017-12-01

    We develop a Bayesian inverse modeling framework for predicting future ice sheet volume with associated formal uncertainty estimates. Marine ice sheets are drained by fast-flowing ice streams, which we simulate using a flowline model. Flowline models depend on geometric parameters (e.g., basal topography), parameterized physical processes (e.g., calving laws and basal sliding), and climate parameters (e.g., surface mass balance), most of which are unknown or uncertain. Given observations of ice surface velocity and thickness, we define a Bayesian posterior distribution over static parameters, such as basal topography. We also define a parameterized distribution over variable parameters, such as future surface mass balance, which we assume are not informed by the data. Hyperparameters are used to represent climate change scenarios, and sampling their distributions mimics internal variation. For example, a warming climate corresponds to increasing mean surface mass balance but an individual sample may have periods of increasing or decreasing surface mass balance. We characterize the predictive distribution of ice volume by evaluating the flowline model given samples from the posterior distribution and the distribution over variable parameters. Finally, we determine the effect of climate change on future ice sheet volume by investigating how changing the hyperparameters affects the predictive distribution. We use state-of-the-art Bayesian computation to address computational feasibility. Characterizing the posterior distribution (using Markov chain Monte Carlo), sampling the full range of variable parameters and evaluating the predictive model is prohibitively expensive. Furthermore, the required resolution of the inferred basal topography may be very high, which is often challenging for sampling methods. Instead, we leverage regularity in the predictive distribution to build a computationally cheaper surrogate over the low dimensional quantity of interest (future ice

  15. Beam shape coefficients calculation for an elliptical Gaussian beam with 1-dimensional quadrature and localized approximation methods

    Science.gov (United States)

    Wang, Wei; Shen, Jianqi

    2018-06-01

    The use of a shaped beam for applications relying on light scattering depends much on the ability to evaluate the beam shape coefficients (BSC) effectively. Numerical techniques for evaluating the BSCs of a shaped beam, such as the quadrature, the localized approximation (LA), the integral localized approximation (ILA) methods, have been developed within the framework of generalized Lorenz-Mie theory (GLMT). The quadrature methods usually employ the 2-/3-dimensional integrations. In this work, the expressions of the BSCs for an elliptical Gaussian beam (EGB) are simplified into the 1-dimensional integral so as to speed up the numerical computation. Numerical results of BSCs are used to reconstruct the beam field and the fidelity of the reconstructed field to the given beam field is estimated. It is demonstrated that the proposed method is much faster than the 2-dimensional integrations and it can acquire more accurate results than the LA method. Limitations of the quadrature method and also the LA method in the numerical calculation are analyzed in detail.

  16. A method based on the Jacobi tau approximation for solving multi-term time-space fractional partial differential equations

    Science.gov (United States)

    Bhrawy, A. H.; Zaky, M. A.

    2015-01-01

    In this paper, we propose and analyze an efficient operational formulation of spectral tau method for multi-term time-space fractional differential equation with Dirichlet boundary conditions. The shifted Jacobi operational matrices of Riemann-Liouville fractional integral, left-sided and right-sided Caputo fractional derivatives are presented. By using these operational matrices, we propose a shifted Jacobi tau method for both temporal and spatial discretizations, which allows us to present an efficient spectral method for solving such problem. Furthermore, the error is estimated and the proposed method has reasonable convergence rates in spatial and temporal discretizations. In addition, some known spectral tau approximations can be derived as special cases from our algorithm if we suitably choose the corresponding special cases of Jacobi parameters θ and ϑ. Finally, in order to demonstrate its accuracy, we compare our method with those reported in the literature.

  17. Methods of approximation theory

    National Research Council Canada - National Science Library

    Stepane︠t︡s, A. I

    2005-01-01

    .... Korneichuk, Α. V. Efimov, S. A. Telyakovskii, etc. In the same years, the concept of (φ, β) -derivative defined for a given function / by a given sequence of numbers ψ = ψ (k), k = 1 , 2 , . . . , and numbers β was formed. The ordinary rth derivative, r = 1 , 2 , . . . , of a periodic function is a particular case of the (φ, /3)-derivative for y(k...

  18. Extended Finite Element Method with Simplified Spherical Harmonics Approximation for the Forward Model of Optical Molecular Imaging

    Directory of Open Access Journals (Sweden)

    Wei Li

    2012-01-01

    Full Text Available An extended finite element method (XFEM for the forward model of 3D optical molecular imaging is developed with simplified spherical harmonics approximation (SPN. In XFEM scheme of SPN equations, the signed distance function is employed to accurately represent the internal tissue boundary, and then it is used to construct the enriched basis function of the finite element scheme. Therefore, the finite element calculation can be carried out without the time-consuming internal boundary mesh generation. Moreover, the required overly fine mesh conforming to the complex tissue boundary which leads to excess time cost can be avoided. XFEM conveniences its application to tissues with complex internal structure and improves the computational efficiency. Phantom and digital mouse experiments were carried out to validate the efficiency of the proposed method. Compared with standard finite element method and classical Monte Carlo (MC method, the validation results show the merits and potential of the XFEM for optical imaging.

  19. PROMETHEE II: A knowledge-driven method for copper exploration

    Science.gov (United States)

    Abedi, Maysam; Ali Torabi, S.; Norouzi, Gholam-Hossain; Hamzeh, Mohammad; Elyasi, Gholam-Reza

    2012-09-01

    This paper describes the application of a well-known Multi Criteria Decision Making (MCDM) technique called Preference Ranking Organization METHod for Enrichment Evaluation (PROMETHEE II) to explore porphyry copper deposits. Various raster-based evidential layers involving geological, geophysical, and geochemical geo-datasets are integrated to prepare a mineral prospectivity mapping (MPM). In a case study, thirteen layers of the Now Chun copper deposit located in the Kerman province of Iran are used to explore the region of interest. The PROMETHEE II technique is applied to produce the desired MPM, and the outputs are validated using twenty-one boreholes that have been classified into five classes. This proposed method shows a high performance when providing the MPM while reducing the cost of exploratory drilling in the study area.

  20. Developpement of a numerical method for Navier-Stokes equations in anelastic approximation: application to Rayleigh-Taylor instabilities

    International Nuclear Information System (INIS)

    Hammouch, Z.

    2012-01-01

    The 'anelastic' approximation allows us to filter the acoustic waves thanks to an asymptotic development of the Navier-Stokes equations, so increasing the averaged time step, during the numerical simulation of hydrodynamic instabilities development. So, the anelastic equations for a two fluid mixture in case of Rayleigh-Taylor instability are established.The linear stability of Rayleigh-Taylor flow is studied, for the first time, for perfect fluids in the anelastic approximation. We define the Stokes problem resulting from Navier-Stokes equations without the non linear terms (a part of the buoyancy is considered); the ellipticity is demonstrated, the Eigenmodes and the invariance related to the pressure are detailed. The Uzawa's method is extended to the anelastic approximation and shows the decoupling speeds in 3D, the particular case k = 0 and the spurious modes of pressure. Passing to multi-domain allowed to establish the transmission conditions.The algorithms and the implementation in the existing program are validated by comparing the Uzawa's operator in Fortran and Mathematica languages, to an experiment with incompressible fluids and results from anelastic and compressible numerical simulations. The study of the influence of the initial stratification of both fluids on the development of the Rayleigh-Taylor instability is initiated. (author) [fr

  1. Application of improved Vogel’s approximation method in minimization of rice distribution costs of Perum BULOG

    Science.gov (United States)

    Nahar, J.; Rusyaman, E.; Putri, S. D. V. E.

    2018-03-01

    This research was conducted at Perum BULOG Sub-Divre Medan which is the implementing institution of Raskin program for several regencies and cities in North Sumatera. Raskin is a program of distributing rice to the poor. In order to minimize rice distribution costs then rice should be allocated optimally. The method used in this study consists of the Improved Vogel Approximation Method (IVAM) to analyse the initial feasible solution, and Modified Distribution (MODI) to test the optimum solution. This study aims to determine whether the IVAM method can provide savings or cost efficiency of rice distribution. From the calculation with IVAM obtained the optimum cost is lower than the company's calculation of Rp945.241.715,5 while the cost of the company's calculation of Rp958.073.750,40. Thus, the use of IVAM can save rice distribution costs of Rp12.832.034,9.

  2. Approximate Solutions of Delay Differential Equations with Constant and Variable Coefficients by the Enhanced Multistage Homotopy Perturbation Method

    Directory of Open Access Journals (Sweden)

    D. Olvera

    2015-01-01

    Full Text Available We expand the application of the enhanced multistage homotopy perturbation method (EMHPM to solve delay differential equations (DDEs with constant and variable coefficients. This EMHPM is based on a sequence of subintervals that provide approximate solutions that require less CPU time than those computed from the dde23 MATLAB numerical integration algorithm solutions. To address the accuracy of our proposed approach, we examine the solutions of several DDEs having constant and variable coefficients, finding predictions with a good match relative to the corresponding numerical integration solutions.

  3. Applicability of the successive approximation methods in the control elements treatment in nuclear systems with irregular geometry

    International Nuclear Information System (INIS)

    El Maftoum, W.R.

    1983-01-01

    The solution of the steady-state wave equation was found by a Fourier series expansion in an arbitrarily shaped n-dimensional domain. This solution, subject to a homogeneous boundary condition (Dirichlet), was applied to a reactor with partially inserted control rods. A Fortran IV program was developed which solves the equation for two media. Criticality calculations were carried out and the worth of partially inserted rod was determined for several problems with an accuracy comparable with that in the existing literature. As a further consequence the technique, associated with the method of sucessive approximations, allowed to derive perturbative formulas for the eigenvalues of the wave equation and related equations. (Author) [pt

  4. Modified method of simplest equation: Powerful tool for obtaining exact and approximate traveling-wave solutions of nonlinear PDEs

    Science.gov (United States)

    Vitanov, Nikolay K.

    2011-03-01

    We discuss the class of equations ∑i,j=0mAij(u){∂iu}/{∂ti}∂+∑k,l=0nBkl(u){∂ku}/{∂xk}∂=C(u) where Aij( u), Bkl( u) and C( u) are functions of u( x, t) as follows: (i) Aij, Bkl and C are polynomials of u; or (ii) Aij, Bkl and C can be reduced to polynomials of u by means of Taylor series for small values of u. For these two cases the above-mentioned class of equations consists of nonlinear PDEs with polynomial nonlinearities. We show that the modified method of simplest equation is powerful tool for obtaining exact traveling-wave solution of this class of equations. The balance equations for the sub-class of traveling-wave solutions of the investigated class of equations are obtained. We illustrate the method by obtaining exact traveling-wave solutions (i) of the Swift-Hohenberg equation and (ii) of the generalized Rayleigh equation for the cases when the extended tanh-equation or the equations of Bernoulli and Riccati are used as simplest equations.

  5. Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

    Science.gov (United States)

    Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-11-14

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

  6. FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    Science.gov (United States)

    Regnier, D.; Dubray, N.; Verrière, M.; Schunck, N.

    2018-04-01

    The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank-Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).

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

    Science.gov (United States)

    MacArt, Jonathan F.; Mueller, Michael E.

    2016-12-01

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

  8. Numerical method for solving integral equations of neutron transport. II

    International Nuclear Information System (INIS)

    Loyalka, S.K.; Tsai, R.W.

    1975-01-01

    In a recent paper it was pointed out that the weakly singular integral equations of neutron transport can be quite conveniently solved by a method based on subtraction of singularity. This previous paper was devoted entirely to the consideration of simple one-dimensional isotropic-scattering and one-group problems. The present paper constitutes interesting extensions of the previous work in that in addition to a typical two-group anisotropic-scattering albedo problem in the slab geometry, the method is also applied to an isotropic-scattering problem in the x-y geometry. These results are compared with discrete S/sub N/ (ANISN or TWOTRAN-II) results, and for the problems considered here, the proposed method is found to be quite effective. Thus, the method appears to hold considerable potential for future applications. (auth)

  9. Iterative methods for 3D implicit finite-difference migration using the complex Padé approximation

    International Nuclear Information System (INIS)

    Costa, Carlos A N; Campos, Itamara S; Costa, Jessé C; Neto, Francisco A; Schleicher, Jörg; Novais, Amélia

    2013-01-01

    Conventional implementations of 3D finite-difference (FD) migration use splitting techniques to accelerate performance and save computational cost. However, such techniques are plagued with numerical anisotropy that jeopardises the correct positioning of dipping reflectors in the directions not used for the operator splitting. We implement 3D downward continuation FD migration without splitting using a complex Padé approximation. In this way, the numerical anisotropy is eliminated at the expense of a computationally more intensive solution of a large-band linear system. We compare the performance of the iterative stabilized biconjugate gradient (BICGSTAB) and that of the multifrontal massively parallel direct solver (MUMPS). It turns out that the use of the complex Padé approximation not only stabilizes the solution, but also acts as an effective preconditioner for the BICGSTAB algorithm, reducing the number of iterations as compared to the implementation using the real Padé expansion. As a consequence, the iterative BICGSTAB method is more efficient than the direct MUMPS method when solving a single term in the Padé expansion. The results of both algorithms, here evaluated by computing the migration impulse response in the SEG/EAGE salt model, are of comparable quality. (paper)

  10. Design method for low order two-degree-of-freedom controller based on Pade approximation of the denominator series expansion

    International Nuclear Information System (INIS)

    Ishikawa, Nobuyuki; Suzuki, Katsuo

    1999-01-01

    Having advantages of setting independently feedback characteristics such as disturbance rejection specification and reference response characteristics, two-degree-of-freedom (2DOF) control is widely utilized to improve the control performance. The ordinary design method such as model matching usually derives high-ordered feedforward element of 2DOF controller. In this paper, we propose a new design method for low order feedforward element which is based on Pade approximation of the denominator series expansion. The features of the proposed method are as follows: (1) it is suited to realize reference response characteristics in low frequency region, (2) the order of the feedforward element can be selected apart from the feedback element. These are essential to the 2DOF controller design. With this method, 2DOF reactor power controller is designed and its control performance is evaluated by numerical simulation with reactor dynamics model. For this evaluation, it is confirmed that the controller designed by the proposed method possesses equivalent control characteristics to the controller by the ordinary model matching method. (author)

  11. An approximate block Newton method for coupled iterations of nonlinear solvers: Theory and conjugate heat transfer applications

    Science.gov (United States)

    Yeckel, Andrew; Lun, Lisa; Derby, Jeffrey J.

    2009-12-01

    A new, approximate block Newton (ABN) method is derived and tested for the coupled solution of nonlinear models, each of which is treated as a modular, black box. Such an approach is motivated by a desire to maintain software flexibility without sacrificing solution efficiency or robustness. Though block Newton methods of similar type have been proposed and studied, we present a unique derivation and use it to sort out some of the more confusing points in the literature. In particular, we show that our ABN method behaves like a Newton iteration preconditioned by an inexact Newton solver derived from subproblem Jacobians. The method is demonstrated on several conjugate heat transfer problems modeled after melt crystal growth processes. These problems are represented by partitioned spatial regions, each modeled by independent heat transfer codes and linked by temperature and flux matching conditions at the boundaries common to the partitions. Whereas a typical block Gauss-Seidel iteration fails about half the time for the model problem, quadratic convergence is achieved by the ABN method under all conditions studied here. Additional performance advantages over existing methods are demonstrated and discussed.

  12. EPICOR-II resin characterization and proposed methods for degradation analysis. Rev. 1

    International Nuclear Information System (INIS)

    Doyle, J.D.; McConnell, J.W. Jr.; Sanders, R.D. Sr.

    1984-06-01

    One goal of the EPICOR-II Research and Disposition Program is the examination of the EPICOR-II organic ion-exchange resins for physical and chemical degradation. This report summarizes preliminary information necessary for the evaluation of the resins for degradation. Degradation of the synthetic organic ion-exchange resins should be efficiently and accurately measurable by using the baseline data provided by the nonirradiated resin characterization. The degradation threshold is about 10 8 rads, approximately the same dose rate the resins will have received by the examination date. If degradation has not occurred at the first examination point, later examinations will detect resin degradation using the same analytical methods. The results from the characterization tests will yield practical and useful data on the actual effects of radiation on commercial synthetic organic ion-exchange resins. 10 references, 12 figures

  13. U.S. Department Of Energy's nuclear engineering education research: highlights of recent and current research-II. 1. Comparison of Angular Approximations for PWR Cell Calculations

    International Nuclear Information System (INIS)

    Smith, M.A.; Tsoulfanidis, N.; Lewis, E.E.; Palmiotti, G.

    2001-01-01

    Increasing computer power is allowing higher-order angular approximations to replace diffusion theory methods in whole core reactor physics computations. Spherical harmonic (P n ), simplified spherical harmonic (SP n ), and discrete ordinates (S n ) methods are capable of performing such calculations in three dimensions. Most advantages of such transport methods are gained by eliminating fuel assembly homogenization, thus allowing pin powers to be calculated directly. A further step, currently under investigation, is the elimination of spatial homogenization at the pin cell level as well. The fuel-moderator interfaces may be treated explicitly in P n , S n , or SP n calculations by applying triangular finite elements (FEM) to the spatial variables. Early results using a modified form of the VARIANT code, however, indicate that without pin cell homogenization, high-order angular approximations may be required to represent the lattice effects accurately within the whole-core calculations. To examine these lattice effects further, a modified form of VARIANT was created to use the spatial triangular finite element scheme. The program was set up to treat a single heterogeneous pin cell coupled with P n , SP n , or S n angular approximations. Additional modifications replaced the nodal interface approximations with exact reflected boundary conditions to increase the accuracy of the results. Several pressurized water reactor pin cells, taken from a previous benchmark specification, were examined. However, the results shown here focus only on the most severe case, i.e., a pin cell containing 8.7% mixed-oxide enriched fuel. The DRAGON collision probability code was used to collapse a 69-group cross-section library to a more manageable 7-group library that contained cross sections for the fuel-cladding mixture and for the water. Eigenvalue results are shown in Figs. 1 and 2 using the modified VARIANT code with P n , SP n , and S n angular approximations. A 7-group MCNP Monte

  14. About approximation of integer factorization problem by the combination fixed-point iteration method and Bayesian rounding for quantum cryptography

    Science.gov (United States)

    Ogorodnikov, Yuri; Khachay, Michael; Pljonkin, Anton

    2018-04-01

    We describe the possibility of employing the special case of the 3-SAT problem stemming from the well known integer factorization problem for the quantum cryptography. It is known, that for every instance of our 3-SAT setting the given 3-CNF is satisfiable by a unique truth assignment, and the goal is to find this assignment. Since the complexity status of the factorization problem is still undefined, development of approximation algorithms and heuristics adopts interest of numerous researchers. One of promising approaches to construction of approximation techniques is based on real-valued relaxation of the given 3-CNF followed by minimizing of the appropriate differentiable loss function, and subsequent rounding of the fractional minimizer obtained. Actually, algorithms developed this way differ by the rounding scheme applied on their final stage. We propose a new rounding scheme based on Bayesian learning. The article shows that the proposed method can be used to determine the security in quantum key distribution systems. In the quantum distribution the Shannon rules is applied and the factorization problem is paramount when decrypting secret keys.

  15. Estimation of geological formation thermal conductivity by using stochastic approximation method based on well-log temperature data

    International Nuclear Information System (INIS)

    Cheng, Wen-Long; Huang, Yong-Hua; Liu, Na; Ma, Ran

    2012-01-01

    Thermal conductivity is a key parameter for evaluating wellbore heat losses which plays an important role in determining the efficiency of steam injection processes. In this study, an unsteady formation heat-transfer model was established and a cost-effective in situ method by using stochastic approximation method based on well-log temperature data was presented. The proposed method was able to estimate the thermal conductivity and the volumetric heat capacity of geological formation simultaneously under the in situ conditions. The feasibility of the present method was assessed by a sample test, the results of which shown that the thermal conductivity and the volumetric heat capacity could be obtained with the relative errors of −0.21% and −0.32%, respectively. In addition, three field tests were conducted based on the easily obtainable well-log temperature data from the steam injection wells. It was found that the relative errors of thermal conductivity for the three field tests were within ±0.6%, demonstrating the excellent performance of the proposed method for calculating thermal conductivity. The relative errors of volumetric heat capacity ranged from −6.1% to −14.2% for the three field tests. Sensitivity analysis indicated that this was due to the low correlation between the volumetric heat capacity and the wellbore temperature, which was used to generate the judgment criterion. -- Highlights: ► A cost-effective in situ method for estimating thermal properties of formation was presented. ► Thermal conductivity and volumetric heat capacity can be estimated simultaneously by the proposed method. ► The relative error of thermal conductivity estimated was within ±0.6%. ► Sensitivity analysis was conducted to study the estimated results of thermal properties.

  16. Modulated Pade approximant

    International Nuclear Information System (INIS)

    Ginsburg, C.A.

    1980-01-01

    In many problems, a desired property A of a function f(x) is determined by the behaviour of f(x) approximately equal to g(x,A) as x→xsup(*). In this letter, a method for resuming the power series in x of f(x) and approximating A (modulated Pade approximant) is presented. This new approximant is an extension of a resumation method for f(x) in terms of rational functions. (author)

  17. Calculating the Optimum Angle of Filament-Wound Pipes in Natural Gas Transmission Pipelines Using Approximation Methods.

    Science.gov (United States)

    Reza Khoshravan Azar, Mohammad; Emami Satellou, Ali Akbar; Shishesaz, Mohammad; Salavati, Bahram

    2013-04-01

    Given the increasing use of composite materials in various industries, oil and gas industry also requires that more attention should be paid to these materials. Furthermore, due to variation in choice of materials, the materials needed for the mechanical strength, resistance in critical situations such as fire, costs and other priorities of the analysis carried out on them and the most optimal for achieving certain goals, are introduced. In this study, we will try to introduce appropriate choice for use in the natural gas transmission composite pipelines. Following a 4-layered filament-wound (FW) composite pipe will consider an offer our analyses under internal pressure. The analyses' results will be calculated for different combinations of angles 15 deg, 30 deg, 45 deg, 55 deg, 60 deg, 75 deg, and 80 deg. Finally, we will compare the calculated values and the optimal angle will be gained by using the Approximation methods. It is explained that this layering is as the symmetrical.

  18. Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters.

    Science.gov (United States)

    Stewart, James J P

    2013-01-01

    Modern semiempirical methods are of sufficient accuracy when used in the modeling of molecules of the same type as used as reference data in the parameterization. Outside that subset, however, there is an abundance of evidence that these methods are of very limited utility. In an attempt to expand the range of applicability, a new method called PM7 has been developed. PM7 was parameterized using experimental and high-level ab initio reference data, augmented by a new type of reference data intended to better define the structure of parameter space. The resulting method was tested by modeling crystal structures and heats of formation of solids. Two changes were made to the set of approximations: a modification was made to improve the description of noncovalent interactions, and two minor errors in the NDDO formalism were rectified. Average unsigned errors (AUEs) in geometry and ΔHf for PM7 were reduced relative to PM6; for simple gas-phase organic systems, the AUE in bond lengths decreased by about 5% and the AUE in ΔHf decreased by about 10%; for organic solids, the AUE in ΔHf dropped by 60% and the reduction was 33.3% for geometries. A two-step process (PM7-TS) for calculating the heights of activation barriers has been developed. Using PM7-TS, the AUE in the barrier heights for simple organic reactions was decreased from values of 12.6 kcal/mol(-1) in PM6 and 10.8 kcal/mol(-1) in PM7 to 3.8 kcal/mol(-1). The origins of the errors in NDDO methods have been examined, and were found to be attributable to inadequate and inaccurate reference data. This conclusion provides insight into how these methods can be improved.

  19. Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods

    Science.gov (United States)

    Nepal, Niraj K.; Ruzsinszky, Adrienn; Bates, Jefferson E.

    2018-03-01

    The ground state structural and energetic properties for rocksalt and cesium chloride phases of the cesium halides were explored using the random phase approximation (RPA) and beyond-RPA methods to benchmark the nonempirical SCAN meta-GGA and its empirical dispersion corrections. The importance of nonadditivity and higher-order multipole moments of dispersion in these systems is discussed. RPA generally predicts the equilibrium volume for these halides within 2.4% of the experimental value, while beyond-RPA methods utilizing the renormalized adiabatic LDA (rALDA) exchange-correlation kernel are typically within 1.8%. The zero-point vibrational energy is small and shows that the stability of these halides is purely due to electronic correlation effects. The rAPBE kernel as a correction to RPA overestimates the equilibrium volume and could not predict the correct phase ordering in the case of cesium chloride, while the rALDA kernel consistently predicted results in agreement with the experiment for all of the halides. However, due to its reasonable accuracy with lower computational cost, SCAN+rVV10 proved to be a good alternative to the RPA-like methods for describing the properties of these ionic solids.

  20. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

    Science.gov (United States)

    Neese, Frank; Wennmohs, Frank; Hansen, Andreas

    2009-03-21

    Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Moller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol(-1). Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500

  1. Partial Discharge Tests using the Cigré II method

    DEFF Research Database (Denmark)

    Casale, M. Di Lorenzo del; Schifani, R.; Holbøll, Joachim

    2000-01-01

    In this paper, the results of an experimental project on insulating material aging, performed in both Denmark and Italy, are reported. This study was concerned with partial discharge (PD) behavior at temperatures between 30 and 80°C using CIGRE method II. The material tested was a commercial...... polymethylmethacrylate (PMMA) which was chosen not for its good dielectric properties but rather because much of its discharge resistance data at ambient temperature is already well documented. A description is given of the theoretical and experimental methodology followed in this work. Mixed Weibull analysis techniques...... in terms of the PD amplitude and phase distribution characteristics were employed to distinguish the presence of different aging mechanisms. Such a difference was observed at 30 and at 80°C. At 30°C the analysis inferred a single discharge aging process acting until breakdown, while at 80°C the results...

  2. Evaluation of the dynamic responses of high rise buildings with respect to the direct methods for soil-foundation-structure interaction effects and comparison with the approximate methods

    Directory of Open Access Journals (Sweden)

    Jahangir Khazaei

    2017-08-01

    Full Text Available In dynamic analysis, modeling of soil medium is ignored because of the infinity and complexity of the soil behavior and so the important effects of these terms are neglected, while the behavior of the soil under the structure plays an important role in the response of the structure during an earthquake. In fact, the soil layers and soil foundation structure interaction phenomena can increase the applied seismic forces during earthquakes that has been examined with different methods. In this paper, effects of soil foundation structure interaction on a steel high rise building has been modeled using Abaqus software for nonlinear dynamic analysis with finite element direct method and simulation of infinite boundary condition for soil medium and also approximate Cone model. In the direct method, soil, structure and foundation are modeled altogether. In other hand, for using Cone model as a simple model, dynamic stiffness coefficients have been employed to simulate soil with considering springs and dashpots in all degree of freedom. The results show that considering soil foundation structure interaction cause increase in maximum lateral displacement of structure and the friction coefficient of soil-foundation interface can alter the responses of structure. It was also observed that the results of the approximate methods have good agreement for engineering demands.

  3. ROAM: A Radial-Basis-Function Optimization Approximation Method for Diagnosing the Three-Dimensional Coronal Magnetic Field

    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.

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

    International Nuclear Information System (INIS)

    Bozkaya, Uğur; Sherrill, C. David

    2016-01-01

    An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the “gradient terms”: computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbital (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C 10 H 22 ), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.

  5. Multi-sheet surface rebinning methods for reconstruction from asymmetrically truncated cone beam projections: I. Approximation and optimality

    International Nuclear Information System (INIS)

    Betcke, Marta M; Lionheart, William R B

    2013-01-01

    The mechanical motion of the gantry in conventional cone beam CT scanners restricts the speed of data acquisition in applications with near real time requirements. A possible resolution of this problem is to replace the moving source detector assembly with static parts that are electronically activated. An example of such a system is the Rapiscan Systems RTT80 real time tomography scanner, with a static ring of sources and axially offset static cylinder of detectors. A consequence of such a design is asymmetrical axial truncation of the cone beam projections resulting, in the sense of integral geometry, in severely incomplete data. In particular we collect data only in a fraction of the Tam–Danielsson window, hence the standard cone beam reconstruction techniques do not apply. In this work we propose a family of multi-sheet surface rebinning methods for reconstruction from such truncated projections. The proposed methods combine analytical and numerical ideas utilizing linearity of the ray transform to reconstruct data on multi-sheet surfaces, from which the volumetric image is obtained through deconvolution. In this first paper in the series, we discuss the rebinning to multi-sheet surfaces. In particular we concentrate on the underlying transforms on multi-sheet surfaces and their approximation with data collected by offset multi-source scanning geometries like the RTT. The optimal multi-sheet surface and the corresponding rebinning function are found as a solution of a variational problem. In the case of the quadratic objective, the variational problem for the optimal rebinning pair can be solved by a globally convergent iteration. Examples of optimal rebinning pairs are computed for different trajectories. We formulate the axial deconvolution problem for the recovery of the volumetric image from the reconstructions on multi-sheet surfaces. Efficient and stable solution of the deconvolution problem is the subject of the second paper in this series (Betcke and

  6. Validations of CNDOL approximate Hamiltonian as a fast and reliable method to obtain vertical excitation energies in polyatomic systems

    International Nuclear Information System (INIS)

    Montero-Alejo, Ana L.; Gonzalez-Santana, Susana; Montero-Cabrera, Luis A.; Hernandez-Rodriguez, Erix Wiliam; Fuentes-Montero, Maria Elena; Bunge-Molina, Carlos F.; Gonzalez, Augusto

    2008-01-01

    Theoretical prediction of vertical excitation energies and an estimation of charge distributions of polyatomic systems can be calculated, through the configuration interaction of single (CIS) excited determinants procedure, with the CNDOL (Complete Neglect of Differential Overlap considering the l azimuthal quantum number) Hamiltonians. This method does not use adjusted parameters to fit experimental data and only employ a priori data on atomic orbitals and simple formulas to substitute large computations of electronic integrals. In this sense, different functions for bi-electron integrals have been evaluated in order to improve the approximate Hamiltonian. The reliability of predictions and theoretical consistence has been tested with a benchmark set of organic molecules that covers important classes of chromophores including polyenes and other unsaturated aliphatic compounds, aromatic, hydrocarbons, heterocycles, carbonyl compounds, and nucleobases. The calculations are done at identical geometries (MP2) with the same basis set (6-31G) for these medium-sized molecules and the obtained results were statistically compared with other analogous methods and experimental data. The accuracy of prediction of each CNDOL vertical transitions energy increases while the active space is more complete allowing the best variational optimization of CIS matrices i.e. molecular excited states. Moreover and due to the feasible computation procedure for large polyatomic systems, the studies have been extended, as a preliminary work, in the field of optoelectronic materials for photovoltaic applications. Hence, the excitation energies of different conjugated Phenyl-cored Thiophene Dendrimers optimized by DFT (Density Functional Theory) were calculated and show good agreement with the experiment data. The predicted charge distribution during the excitation contributes to understand the photophysics process on these kind materials. (Full text)

  7. Subsurface Flow Modeling in Single and Dual Continuum Anisotropic Porous Media using the Multipoint Flux Approximation Method

    KAUST Repository

    Negara, Ardiansyah

    2015-05-01

    Anisotropy of hydraulic properties of the subsurface geologic formations is an essential feature that has been established as a consequence of the different geologic processes that undergo during the longer geologic time scale. With respect to subsurface reservoirs, in many cases, anisotropy plays significant role in dictating the direction of flow that becomes no longer dependent only on driving forces like the pressure gradient and gravity but also on the principal directions of anisotropy. Therefore, there has been a great deal of motivation to consider anisotropy into the subsurface flow and transport models. In this dissertation, we present subsurface flow modeling in single and dual continuum anisotropic porous media, which include the single-phase groundwater flow coupled with the solute transport in anisotropic porous media, the two-phase flow with gravity effect in anisotropic porous media, and the natural gas flow in anisotropic shale reservoirs. We have employed the multipoint flux approximation (MPFA) method to handle anisotropy in the flow model. The MPFA method is designed to provide correct discretization of the flow equations for general orientation of the principal directions of the permeability tensor. The implementation of MPFA method is combined with the experimenting pressure field approach, a newly developed technique that enables the solution of the global problem breaks down into the solution of multitude of local problems. The numerical results of the study demonstrate the significant effects of anisotropy of the subsurface formations. For the single-phase groundwater flow coupled with the solute transport modeling in anisotropic porous media, the results shows the strong impact of anisotropy on the pressure field and the migration of the solute concentration. For the two-phase flow modeling with gravity effect in anisotropic porous media, it is observed that the buoyancy-driven flow, which emerges due to the density differences between the

  8. SEPARATION OF Fe (III, Cr(III, Cu(II, Ni(II, Co(II, AND Pb(II METAL IONS USING POLY(EUGENYL OXYACETIC ACID AS AN ION CARRIER BY A LIQUID MEMBRANE TRANSPORT METHOD

    Directory of Open Access Journals (Sweden)

    La Harimu

    2010-06-01

    Full Text Available Fe (III, Cr(III, Cu(II, Ni(II, Co(II, and Pb(II  metal ions had been separated using poly(eugenyl oxyacetic acid as an ion carrier by bulk liquid membrane transport method. The effect of pH, polyeugenyl oxyacetic acid ion carrier concentration, nitric acid concentration in the stripping solution, transport time, and metal concentration were optimized. The result showed that the optimum condition for transport of metal ions was at pH 4 for ion Fe(III and at pH 5 for Cr(III, Cu(II, Ni(II, Co(II, and Pb(II ions. The carrier volumes were optimum with concentration of 1 x 10-3 M at 7.5 mL for Cr(III, Cu (II,  Ni(II, Co(II ions and at 8.5 mL for Fe(III and Pb(II ions. The concentration of HNO3 in stripping phase was optimum at 2 M for Fe(III and Cu(II ions, 1 M for Cr(III, Ni(II and Co(II ions, and 0.5 M for Pb(II ion. The optimum transport times were 36 h for Fe(III and Co(II ions, and 48 h for Cr(III, Cu (II, Ni(II, and Pb(II ions. The concentration of metal ions accurately transported were 2.5 x 10-4 M for Fe(III and Cr(III ions, and 1 M for Cu (II, Ni(II, Co(II, and Pb(II ions. Compared to other metal ions the transport of Fe(III was the highest with selectivity order of Fe(III > Cr(III > Pb(II > Cu(II > Ni(II > Co(II. At optimum condition, Fe(III ion was transported through the membrane at 46.46%.   Keywords: poly(eugenyl oxyacetic acid, transport, liquid membrane, Fe (III, Cr(III, Cu(II, Ni(II, Co(II, and Pb(II ions

  9. Solution of the point kinetics equations in the presence of Newtonian temperature feedback by Pade approximations via the analytical inversion method

    International Nuclear Information System (INIS)

    Aboanber, A E; Nahla, A A

    2002-01-01

    A method based on the Pade approximations is applied to the solution of the point kinetics equations with a time varying reactivity. The technique consists of treating explicitly the roots of the inhour formula. A significant improvement has been observed by treating explicitly the most dominant roots of the inhour equation, which usually would make the Pade approximation inaccurate. Also the analytical inversion method which permits a fast inversion of polynomials of the point kinetics matrix is applied to the Pade approximations. Results are presented for several cases of Pade approximations using various options of the method with different types of reactivity. The formalism is applicable equally well to non-linear problems, where the reactivity depends on the neutron density through temperature feedback. It was evident that the presented method is particularly good for cases in which the reactivity can be represented by a series of steps and performed quite well for more general cases

  10. Approximate Likelihood

    CERN Multimedia

    CERN. Geneva

    2015-01-01

    Most physics results at the LHC end in a likelihood ratio test. This includes discovery and exclusion for searches as well as mass, cross-section, and coupling measurements. The use of Machine Learning (multivariate) algorithms in HEP is mainly restricted to searches, which can be reduced to classification between two fixed distributions: signal vs. background. I will show how we can extend the use of ML classifiers to distributions parameterized by physical quantities like masses and couplings as well as nuisance parameters associated to systematic uncertainties. This allows for one to approximate the likelihood ratio while still using a high dimensional feature vector for the data. Both the MEM and ABC approaches mentioned above aim to provide inference on model parameters (like cross-sections, masses, couplings, etc.). ABC is fundamentally tied Bayesian inference and focuses on the “likelihood free” setting where only a simulator is available and one cannot directly compute the likelihood for the dat...

  11. Diophantine approximation

    CERN Document Server

    Schmidt, Wolfgang M

    1980-01-01

    "In 1970, at the U. of Colorado, the author delivered a course of lectures on his famous generalization, then just established, relating to Roth's theorem on rational approxi- mations to algebraic numbers. The present volume is an ex- panded and up-dated version of the original mimeographed notes on the course. As an introduction to the author's own remarkable achievements relating to the Thue-Siegel-Roth theory, the text can hardly be bettered and the tract can already be regarded as a classic in its field."(Bull.LMS) "Schmidt's work on approximations by algebraic numbers belongs to the deepest and most satisfactory parts of number theory. These notes give the best accessible way to learn the subject. ... this book is highly recommended." (Mededelingen van het Wiskundig Genootschap)

  12. Evaluation of F/E·DOI method as an approximate estimate of skin dose during percutaneous coronary intervention procedure

    International Nuclear Information System (INIS)

    Nakahara, Makoto; Yoshino, Akira; Kitano, K.; Yamaguchi, M.; Morone, Takayuki; Tani, K.

    2005-01-01

    The purpose of this study was to evaluate the efficacy of fluoroscopy time/total exposure times exposure times · in direction of interest (F/E·DOI) method as an approximate estimate of skin dose during percutaneous coronary intervention (PCI) procedure. Up to March 10, 2004, fifty-seven patients (male: 46 cases, female: 11 cases, age range 38-85 years; mean age 67±11 years) had undergone PCI and 157 directions of exposure was measured using X-ray films (KONICA MINOLTA SR-DUP) placed under the back of each patient during the procedure. The fluoroscopy time (minutes), the times of exposure in each direction during the procedure, and the thickness of chest (cm) was recorded. The relation of the skin dose to fluoroscopic time, exposure times in direction of interest, and F/E·DOI was assessed. The relationship between fluoroscopy time and skin dose was shown as y=0.02x+0.22 (r=0.54, p<0.0001, m.e=0.00±0.71 Gy, e.a=-2.19∼l.53 Gy). In addition, the relation of skin dose to exposure times in the direction of interest was y=0.07x+0.27 (r=0.77, p<0.0001, m.e=-0.00±0.53 Gy, e.a=-2.45∼1.76 Gy). The relationship between skin dose and F/E·DOI was y=0.06x+0.30 (r=0.85, p<0.0001, m.e=-0.00±0.44 Gy, e.a=-1.28∼1.06 Gy). Moreover, the relationship between skin dose and (F/E·DOI x 0.06+0.30) x coefficient of direction x coefficient in thickness of chest was y=0.99x-0.02 (r=0.89, p<0.0001, m.e=0.00±0.38 Gy, e.a=-1.12∼l.27 Gy). The calculated results corresponded to the skin dose during the procedure. F/E·DOI method was simple and effective, moreover, that enabled us to inform the skin dose during the PCI procedure to the interventionalist easily. (authors)

  13. Sparse approximation with bases

    CERN Document Server

    2015-01-01

    This book systematically presents recent fundamental results on greedy approximation with respect to bases. Motivated by numerous applications, the last decade has seen great successes in studying nonlinear sparse approximation. Recent findings have established that greedy-type algorithms are suitable methods of nonlinear approximation in both sparse approximation with respect to bases and sparse approximation with respect to redundant systems. These insights, combined with some previous fundamental results, form the basis for constructing the theory of greedy approximation. Taking into account the theoretical and practical demand for this kind of theory, the book systematically elaborates a theoretical framework for greedy approximation and its applications.  The book addresses the needs of researchers working in numerical mathematics, harmonic analysis, and functional analysis. It quickly takes the reader from classical results to the latest frontier, but is written at the level of a graduate course and do...

  14. Non-Surgical Breast-Conserving Treatment (KORTUC-BCT Using a New Radiosensitization Method (KORTUC II for Patients with Stage I or II Breast Cancer

    Directory of Open Access Journals (Sweden)

    Yasuhiro Ogawa

    2015-11-01

    Full Text Available The purpose of the present study was to establish a non-surgical breast-conserving treatment (BCT using KORTUC II radiosensitization treatment. A new radiosensitizing agent containing 0.5% hydrogen peroxide and 0.83% sodium hyaluronate (a CD44 ligand has been developed for intra-tumoral injection into various tumors. This new method, named KORTUC II, was approved by our local ethics committee for the treatment of breast cancer and metastatic lymph nodes. A total of 72 early-stage breast cancer patients (stage 0, 1 patient; stage I, 23; stage II, 48 were enrolled in the KORTUC II trial after providing fully informed consent. The mean age of the patients was 59.7 years. A maximum of 6 mL (usually 3 mL for tumors of less than approximately 3 cm in diameter of the agent was injected into breast tumor tissue twice a week under ultrasonographic guidance. For radiotherapy, hypofraction radiotherapy was administered using a tangential fields approach including an ipsilateral axillary region and field-in-field method; the energy level was 4 MV, and the total radiation dose was 44 Gy administered as 2.75 Gy/fraction. An electron boost of 3 Gy was added three times. Treatment was well tolerated with minimal adverse effects in all 72 patients. No patients showed any significant complications other than mild dermatitis. A total of 24 patients under 75 years old with stage II breast cancer underwent induction chemotherapy (EC and/or taxane prior to KORTUC II treatment, and 58 patients with estrogen receptor-positive tumors also received hormonal therapy following KORTUC II. The mean duration of follow-up as of the end of September 2014 was 51.1 months, at which time 68 patients were alive without any distant metastases. Only one patient had local recurrence and died of cardiac failure at 6.5 years. Another one patient had bone metastases. For two of the 72 patients, follow-up ended after several months following KORTUC II treatment. In conclusion, non

  15. Using Differential Transform Method and Padé Approximant for Solving MHD Flow in a Laminar Liquid Film from a Horizontal Stretching Surface

    Directory of Open Access Journals (Sweden)

    Mohammad Mehdi Rashidi

    2010-01-01

    Full Text Available The purpose of this study is to approximate the stream function and temperature distribution of the MHD flow in a laminar liquid film from a horizontal stretching surface. In this paper DTM-Padé method was used which is a combination of differential transform method (DTM and Padé approximant. The DTM solutions are only valid for small values of independent variables. Comparison between the solutions obtained by the DTM and the DTM-Padé with numerical solution (fourth-order Runge–Kutta revealed that the DTM-Padé method is an excellent method for solving MHD boundary-layer equations.

  16. TYPE II-P SUPERNOVAE FROM THE SDSS-II SUPERNOVA SURVEY AND THE STANDARDIZED CANDLE METHOD

    International Nuclear Information System (INIS)

    D'Andrea, Chris B.; Sako, Masao; Dilday, Benjamin; Jha, Saurabh; Frieman, Joshua A.; Kessler, Richard; Holtzman, Jon; Konishi, Kohki; Yasuda, Naoki; Schneider, D. P.; Sollerman, Jesper; Wheeler, J. Craig; Cinabro, David; Nichol, Robert C.; Lampeitl, Hubert; Smith, Mathew; Atlee, David W.; Bassett, Bruce; Castander, Francisco J.; Goobar, Ariel

    2010-01-01

    We apply the Standardized Candle Method (SCM) for Type II Plateau supernovae (SNe II-P), which relates the velocity of the ejecta of a SN to its luminosity during the plateau, to 15 SNe II-P discovered over the three season run of the Sloan Digital Sky Survey-II Supernova Survey. The redshifts of these SNe-0.027 0.01) as all of the current literature on the SCM combined. We find that the SDSS SNe have a very small intrinsic I-band dispersion (0.22 mag), which can be attributed to selection effects. When the SCM is applied to the combined SDSS-plus-literature set of SNe II-P, the dispersion increases to 0.29 mag, larger than the scatter for either set of SNe separately. We show that the standardization cannot be further improved by eliminating SNe with positive plateau decline rates, as proposed in Poznanski et al. We thoroughly examine all potential systematic effects and conclude that for the SCM to be useful for cosmology, the methods currently used to determine the Fe II velocity at day 50 must be improved, and spectral templates able to encompass the intrinsic variations of Type II-P SNe will be needed.

  17. Methods and Algorithms for Approximating the Gamma Function and Related Functions. A survey. Part I: Asymptotic Series

    Directory of Open Access Journals (Sweden)

    Cristinel Mortici

    2015-01-01

    Full Text Available In this survey we present our recent results on analysis of gamma function and related functions. The results obtained are in the theory of asymptotic analysis, approximation of gamma and polygamma functions, or in the theory of completely monotonic functions. The motivation of this first part is the work of C. Mortici [Product Approximations via Asymptotic Integration Amer. Math. Monthly 117 (2010 434-441] where a simple strategy for constructing asymptotic series is presented. The classical asymptotic series associated to Stirling, Wallis, Glaisher-Kinkelin are rediscovered. In the second section we discuss some new inequalities related to Landau constants and we establish some asymptotic formulas.

  18. Extension of geometrical-optics approximation to on-axis Gaussian beam scattering. II. By a spheroidal particle with end-on incidence.

    Science.gov (United States)

    Xu, Feng; Ren, Kuan Fang; Cai, Xiaoshu; Shen, Jianqi

    2006-07-10

    On the basis of our previous work on the extension of the geometrical-optics approximation to Gaussian beam scattering by a spherical particle, we present a further extension of the method to the scattering of a transparent or absorbing spheroidal particle with the same symmetric axis as the incident beam. As was done for the spherical particle, the phase shifts of the emerging rays due to focal lines, optical path, and total reflection are carefully considered. The angular position of the geometric rainbow of primary order is theoretically predicted. Compared with our results, the Möbius prediction of the rainbow angle has a discrepancy of less than 0.5 degrees for a spheroidal droplet of aspect radio kappa within 0.95 and 1.05 and less than 2 degrees for kappa within 0.89 and 1.11. The flux ratio index F, which qualitatively indicates the effect of a surface wave, is also studied and found to be dependent on the size, refractive index, and surface curvature of the particle.

  19. Stochastic approximation methods-Powerful tools for simulation and optimization: A survey of some recent work on multi-agent systems and cyber-physical systems

    International Nuclear Information System (INIS)

    Yin, George; Wang, Le Yi; Zhang, Hongwei

    2014-01-01

    Stochastic approximation methods have found extensive and diversified applications. Recent emergence of networked systems and cyber-physical systems has generated renewed interest in advancing stochastic approximation into a general framework to support algorithm development for information processing and decisions in such systems. This paper presents a survey on some recent developments in stochastic approximation methods and their applications. Using connected vehicles in platoon formation and coordination as a platform, we highlight some traditional and new methodologies of stochastic approximation algorithms and explain how they can be used to capture essential features in networked systems. Distinct features of networked systems with randomly switching topologies, dynamically evolving parameters, and unknown delays are presented, and control strategies are provided

  20. Neutron spectrometry by means of threshold detectors - Neutron spectrometry by means of activation detectors. Studies of the method of approximation by polygonal function. Application to dose determination

    International Nuclear Information System (INIS)

    Bricka, M.

    1962-03-01

    This report addresses the problem of determination of neutron spectrum by using a set of detectors. The spectrum approximation method based on a polygonal function is more particularly studied. The author shows that the coefficients of the usual mathematical model can be simply formulated and assessed. The study of spectra approximation by a polygonal function shows that dose can be expressed by a linear function of the activity of the different detectors [fr

  1. Summary of Time Period-Based and Other Approximation Methods for Determining the Capacity Value of Wind and Solar in the United States: September 2010 - February 2012

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, J.; Porter, K.

    2012-03-01

    This paper updates previous work that describes time period-based and other approximation methods for estimating the capacity value of wind power and extends it to include solar power. The paper summarizes various methods presented in utility integrated resource plans, regional transmission organization methodologies, regional stakeholder initiatives, regulatory proceedings, and academic and industry studies. Time period-based approximation methods typically measure the contribution of a wind or solar plant at the time of system peak - sometimes over a period of months or the average of multiple years.

  2. The approximate thermal-model-testing method for non-stationary temperature fields in central zones of fast reactor assemblies

    International Nuclear Information System (INIS)

    Mikhin, V.I.; Matukhin, N.M.

    2000-01-01

    The approach to generalization of the non-stationary heat exchange data for the central zones of the nuclear reactor fuel assemblies and the approximate thermal-model-testing criteria are proposed. The fuel assemblies of fast and water-cooled reactors with different fuel compositions have been investigated. The reason of the non-stationary heat exchange is the fuel-energy-release time dependence. (author)

  3. Integral method for transient He II heat transfer in a semi-infinite domain

    Science.gov (United States)

    Baudouy, B.

    2002-05-01

    Integral methods are suited to solve a non-linear system of differential equations where the non-linearity can be found either in the differential equations or in the boundary conditions. Though they are approximate methods, they have proven to give simple solutions with acceptable accuracy for transient heat transfer in He II. Taking in account the temperature dependence of thermal properties, direct solutions are found without the need of adjusting a parameter. Previously, we have presented a solution for the clamped heat flux and in the present study this method is used to accommodate the clamped-temperature problem. In the case of constant thermal properties, this method yields results that are within a few percent of the exact solution for the heat flux at the axis origin. We applied this solution to analyze recovery from burnout and find an agreement within 10% at low heat flux, whereas at high heat flux the model deviates from the experimental data suggesting the need for a more refined thermal model.

  4. Integral method for transient He II heat transfer in a semi-infinite domain

    International Nuclear Information System (INIS)

    Baudouy, B.

    2002-01-01

    Integral methods are suited to solve a non-linear system of differential equations where the non-linearity can be found either in the differential equations or in the boundary conditions. Though they are approximate methods, they have proven to give simple solutions with acceptable accuracy for transient heat transfer in He II. Taking in account the temperature dependence of thermal properties, direct solutions are found without the need of adjusting a parameter. Previously, we have presented a solution for the clamped heat flux and in the present study this method is used to accommodate the clamped-temperature problem. In the case of constant thermal properties, this method yields results that are within a few percent of the exact solution for the heat flux at the axis origin. We applied this solution to analyze recovery from burnout and find an agreement within 10% at low heat flux, whereas at high heat flux the model deviates from the experimental data suggesting the need for a more refined thermal model

  5. Partial restoration of spin-isospin SU(4) symmetry and the one-quasiparticle random-phase approximation method in double-β decay

    Science.gov (United States)

    Ferreira, V. dos S.; Krmpotić, F.; Barbero, C. A.; Samana, A. R.

    2017-10-01

    The one-quasiparticle random-phase approximation (one-QRPA) method is used to describe simultaneously both double-β -decay modes, giving special attention to the partial restoration of spin-isospin SU(4 ) symmetry. To implement this restoration and to fix the model parameters, we resort to the energetics of Gamow-Teller resonances and to the minima of the single-β+-decay strengths. This makes the theory predictive regarding the β β2 ν decay, producing the 2 ν moments in 48Ca, 76Ge, 82Se, 96Zr, 100Mo, Te,130128, and 150Nd, that are of the same order of magnitude as the experimental ones; however, the agreement with β β2 ν data is only modest. To include contributions coming from induced nuclear weak currents, we extend the β β0 ν -decay formalism employed previously in C. Barbero et al., Nucl. Phys. A 628, 170 (1998), 10.1016/S0375-9474(97)00614-3, which is based on the Fourier-Bessel expansion. The numerical results for the β β0 ν moments in the above mentioned nuclei are similar to those obtained in other theoretical studies although smaller on average by ˜40 % . We attribute this difference basically to the one-QRPA method, employed here for the first time, instead of the currently used two-QRPA method. The difference is partially due also to the way of carrying out the restoration of the spin-isospin symmetry. It is hard to say which is the best way to make this restoration, since the β β0 ν moments are not experimentally measurable. The recipe proposed here is based on physically robust arguments. The numerical uncertainties in the β β moments, related to (i) their strong dependence on the residual interaction in the particle-particle channel when evaluated within the QRPA, and (ii) lack of proper knowledge of single-particle energies, have been quantified. It is concluded that the partial restoration of the SU(4 ) symmetry, generated by the residual interaction, is crucial in the description of the β β decays, regardless of the nuclear

  6. Approximate and renormgroup symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Ibragimov, Nail H. [Blekinge Institute of Technology, Karlskrona (Sweden). Dept. of Mathematics Science; Kovalev, Vladimir F. [Russian Academy of Sciences, Moscow (Russian Federation). Inst. of Mathematical Modeling

    2009-07-01

    ''Approximate and Renormgroup Symmetries'' deals with approximate transformation groups, symmetries of integro-differential equations and renormgroup symmetries. It includes a concise and self-contained introduction to basic concepts and methods of Lie group analysis, and provides an easy-to-follow introduction to the theory of approximate transformation groups and symmetries of integro-differential equations. The book is designed for specialists in nonlinear physics - mathematicians and non-mathematicians - interested in methods of applied group analysis for investigating nonlinear problems in physical science and engineering. (orig.)

  7. Approximate and renormgroup symmetries

    International Nuclear Information System (INIS)

    Ibragimov, Nail H.; Kovalev, Vladimir F.

    2009-01-01

    ''Approximate and Renormgroup Symmetries'' deals with approximate transformation groups, symmetries of integro-differential equations and renormgroup symmetries. It includes a concise and self-contained introduction to basic concepts and methods of Lie group analysis, and provides an easy-to-follow introduction to the theory of approximate transformation groups and symmetries of integro-differential equations. The book is designed for specialists in nonlinear physics - mathematicians and non-mathematicians - interested in methods of applied group analysis for investigating nonlinear problems in physical science and engineering. (orig.)

  8. An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes

    Science.gov (United States)

    Gerber, Paul R.; Mark, Alan E.; van Gunsteren, Wilfred F.

    1993-06-01

    Derivatives of free energy differences have been calculated by molecular dynamics techniques. The systems under study were ternary complexes of Trimethoprim (TMP) with dihydrofolate reductases of E. coli and chicken liver, containing the cofactor NADPH. Derivatives are taken with respect to modification of TMP, with emphasis on altering the 3-, 4- and 5-substituents of the phenyl ring. A linear approximation allows the encompassing of a whole set of modifications in a single simulation, as opposed to a full perturbation calculation, which requires a separate simulation for each modification. In the case considered here, the proposed technique requires a factor of 1000 less computing effort than a full free energy perturbation calculation. For the linear approximation to yield a significant result, one has to find ways of choosing the perturbation evolution, such that the initial trend mirrors the full calculation. The generation of new atoms requires a careful treatment of the singular terms in the non-bonded interaction. The result can be represented by maps of the changed molecule, which indicate whether complex formation is favoured under movement of partial charges and change in atom polarizabilities. Comparison with experimental measurements of inhibition constants reveals fair agreement in the range of values covered. However, detailed comparison fails to show a significant correlation. Possible reasons for the most pronounced deviations are given.

  9. Modeling C-band single scattering properties of hydrometeors using discrete-dipole approximation and T-matrix method

    International Nuclear Information System (INIS)

    Tyynelae, Jani; Nousiainen, Timo; Goeke, Sabine; Muinonen, Karri

    2009-01-01

    We study the applicability of the discrete-dipole approximation by modeling centimeter (C-band) radar echoes for hydrometeors, and compare the results to exact theories. We use ice and water particles of various shapes with varying water-content to investigate how the backscattering, extinction, and absorption cross sections change as a function of particle radius. We also compute radar parameters, such as the differential reflectivity, the linear depolarization ratio, and the copolarized correlation coefficient. We find that using discrete-dipole approximation (DDA) to model pure ice and pure water particles at the C-band, is a lot more accurate than particles containing both ice and water. For coated particles, a large grid-size is recommended so that the coating is modeled adequately. We also find that the absorption cross section is significantly less accurate than the scattering and backscattering cross sections. The accuracy of DDA can be increased by increasing the number of dipoles, but also by using the filtered coupled dipole-option for the polarizability. This halved the relative errors in cross sections.

  10. A study of drying and cleaning methods used in preparation for fluorescent penetrant inspection - Part II

    International Nuclear Information System (INIS)

    Brasche, L.; Lopez, R.; Larson, B.

    2003-01-01

    Fluorescent penetrant inspection is the most widely used method for aerospace components such as critical rotating components of gas turbine engines. Successful use of FPI begins with a clean and dry part, followed by a carefully controlled and applied FPI process, and conscientious inspection by well trained personnel. A variety of cleaning methods are in use for cleaning of titanium and nickel parts with selection based on the soils or contamination to be removed. Cleaning methods may include chemical or mechanical methods with sixteen different types studied as part of this program. Several options also exist for use in drying parts prior to FPI. Samples were generated and exposed to a range of conditions to study the effect of both drying and cleaning methods on the flaw response of FPI. Low cycle fatigue (LCF) cracks were generated in approximately 40 nickel and 40 titanium samples for evaluation of the various cleaning methods. Baseline measurements were made for each of the samples using a photometer to measure sample brightness and a UVA videomicroscope to capture digital images of the FPI indications. Samples were exposed to various contaminants, cleaned and inspected. Brightness measurements and digital images were also taken to compare to the baseline data. A comparison of oven drying to flash dry in preparation for FPI has been completed and will be reported in Part I. Comparison of the effectiveness of various cleaning methods for the contaminants will be presented in Part II. The cleaning and drying studies were completed in cooperation with Delta Airlines using cleaning, drying and FPI processes typical of engine overhaul processes and equipment. The work was completed as part of the Engine Titanium Consortium and included investigators from Honeywell, General Electric, Pratt and Whitney, and Rolls Royce

  11. Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II.

    Science.gov (United States)

    Isobe, H; Shoji, M; Yamanaka, S; Mino, H; Umena, Y; Kawakami, K; Kamiya, N; Shen, J-R; Yamaguchi, K

    2014-06-28

    Full geometry optimizations followed by the vibrational analysis were performed for eight spin configurations of the CaMn4O4X(H2O)3Y (X = O, OH; Y = H2O, OH) cluster in the S1 and S3 states of the oxygen evolution complex (OEC) of photosystem II (PSII). The energy gaps among these configurations obtained by vertical, adiabatic and adiabatic plus zero-point-energy (ZPE) correction procedures have been used for computation of the effective exchange integrals (J) in the spin Hamiltonian model. The J values are calculated by the (1) analytical method and the (2) generalized approximate spin projection (AP) method that eliminates the spin contamination errors of UB3LYP solutions. Using J values derived from these methods, exact diagonalization of the spin Hamiltonian matrix was carried out, yielding excitation energies and spin densities of the ground and lower-excited states of the cluster. The obtained results for the right (R)- and left (L)-opened structures in the S1 and S3 states are found to be consistent with available optical and magnetic experimental results. Implications of the computational results are discussed in relation to (a) the necessity of the exact diagonalization for computations of reliable energy levels, (b) magneto-structural correlations in the CaMn4O5 cluster of the OEC of PSII, (c) structural symmetry breaking in the S1 and S3 states, and (d) the right- and left-handed scenarios for the O-O bond formation for water oxidation.

  12. Theory for site-site pair distribution functions of molecular fluids. II. Approximations for the Percus--Yevick site-site direct correlation functions

    International Nuclear Information System (INIS)

    Johnson, E.

    1977-01-01

    A theory for site-site pair distribution functions of molecular fluids is derived from the Ornstein-Zernike equation. Atom-atom pair distribution functions of this theory which were obtained by using different approximations for the Percus-Yevick site-site direct correlation functions are compared

  13. Ordered cones and approximation

    CERN Document Server

    Keimel, Klaus

    1992-01-01

    This book presents a unified approach to Korovkin-type approximation theorems. It includes classical material on the approximation of real-valuedfunctions as well as recent and new results on set-valued functions and stochastic processes, and on weighted approximation. The results are notonly of qualitative nature, but include quantitative bounds on the order of approximation. The book is addressed to researchers in functional analysis and approximation theory as well as to those that want to applythese methods in other fields. It is largely self- contained, but the readershould have a solid background in abstract functional analysis. The unified approach is based on a new notion of locally convex ordered cones that are not embeddable in vector spaces but allow Hahn-Banach type separation and extension theorems. This concept seems to be of independent interest.

  14. PMT response drift of ATLAS Tile Laser II calibration system: an introduction of a new method

    CERN Document Server

    Di Gregorio, Giulia

    2016-01-01

    In this article I describe the performance of the monitoring diodes of the Laser II system, a new system for run II used to calibrate the gain variation of PMTs in between two cesium scan. I also show a new method to measure the PMT drift response that it is compared to the method used up to now (Clermont-Ferrant) corrected with the Pisa method. The agreement between the two method is within 0.2%.

  15. The exact solutions and approximate analytic solutions of the (2 + 1)-dimensional KP equation based on symmetry method.

    Science.gov (United States)

    Gai, Litao; Bilige, Sudao; Jie, Yingmo

    2016-01-01

    In this paper, we successfully obtained the exact solutions and the approximate analytic solutions of the (2 + 1)-dimensional KP equation based on the Lie symmetry, the extended tanh method and the homotopy perturbation method. In first part, we obtained the symmetries of the (2 + 1)-dimensional KP equation based on the Wu-differential characteristic set algorithm and reduced it. In the second part, we constructed the abundant exact travelling wave solutions by using the extended tanh method. These solutions are expressed by the hyperbolic functions, the trigonometric functions and the rational functions respectively. It should be noted that when the parameters are taken as special values, some solitary wave solutions are derived from the hyperbolic function solutions. Finally, we apply the homotopy perturbation method to obtain the approximate analytic solutions based on four kinds of initial conditions.

  16. Statistical physics as an approximate method of many-body quantum mechanics in the representation of occupation numbers

    International Nuclear Information System (INIS)

    Kushnirenko, A.N.

    1989-01-01

    An attempt was made to substantiate statistical physics from the viewpoint of many-body quantum mechanics in the representation of occupation numbers. This approach enabled to develop the variation method for solution of stationary and nonstationary nonequilibrium problems

  17. An approximate method for calculating composition of the non-equilibrium explosion products of hydrocarbons and oxygen

    International Nuclear Information System (INIS)

    Shargatov, V A; Gubin, S A; Okunev, D Yu

    2016-01-01

    We develop a method for calculating the changes in composition of the explosion products in the case where the complete chemical equilibrium is absent but the bimolecular reactions are in quasi-equilibrium with the exception bimolecular reactions with one of the components of the mixture. We investigate the possibility of using the method of 'quasiequilibrium' for mixtures of hydrocarbons and oxygen. The method is based on the assumption of the existence of the partial chemical equilibrium in the explosion products. Without significant loss of accuracy to the solution of stiff differential equations detailed kinetic mechanism can be replaced by one or two differential equation and a system of algebraic equations. This method is always consistent with the detailed mechanism and can be used separately or in conjunction with the solution of a stiff system for chemically non-equilibrium mixtures replacing it when bimolecular reactions are near to equilibrium. (paper)

  18. The range of validity of the two-body approximation in models of terrestrial planet accumulation. II - Gravitational cross sections and runaway accretion

    Science.gov (United States)

    Wetherill, G. W.; Cox, L. P.

    1985-01-01

    The validity of the two-body approximation in calculating encounters between planetesimals has been evaluated as a function of the ratio of unperturbed planetesimal velocity (with respect to a circular orbit) to mutual escape velocity when their surfaces are in contact (V/V-sub-e). Impact rates as a function of this ratio are calculated to within about 20 percent by numerical integration of the equations of motion. It is found that when the ratio is greater than 0.4 the two-body approximation is a good one. Consequences of reducing the ratio to less than 0.02 are examined. Factors leading to an optimal size for growth of planetesimals from a swarm of given eccentricity and placing a limit on the extent of runaway accretion are derived.

  19. Computing travel time when the exact address is unknown: a comparison of point and polygon ZIP code approximation methods.

    Science.gov (United States)

    Berke, Ethan M; Shi, Xun

    2009-04-29

    Travel time is an important metric of geographic access to health care. We compared strategies of estimating travel times when only subject ZIP code data were available. Using simulated data from New Hampshire and Arizona, we estimated travel times to nearest cancer centers by using: 1) geometric centroid of ZIP code polygons as origins, 2) population centroids as origin, 3) service area rings around each cancer center, assigning subjects to rings by assuming they are evenly distributed within their ZIP code, 4) service area rings around each center, assuming the subjects follow the population distribution within the ZIP code. We used travel times based on street addresses as true values to validate estimates. Population-based methods have smaller errors than geometry-based methods. Within categories (geometry or population), centroid and service area methods have similar errors. Errors are smaller in urban areas than in rural areas. Population-based methods are superior to the geometry-based methods, with the population centroid method appearing to be the best choice for estimating travel time. Estimates in rural areas are less reliable.

  20. Application of Carrier Element-Free Co-precipitation Method for Ni(II), Cu(II) and Zn(II) Ions Determination in Water Samples Using Chrysin

    International Nuclear Information System (INIS)

    Layth Imad Abd Ali; Wan Aini Wan Ibrahim; Azli Sulaiman; Mohd Marsin Sanagi

    2015-01-01

    A co-precipitation method was developed to separate and pre-concentrate Ni(II), Cu(II) and Zn(II) ions using an organic co precipitant, chrysin without adding any carrier element termed as carrier element-free co-precipitation (CEFC). Analytes were determined using flame atomic absorption spectrometry (FAAS). The influence of analytical conditions, such as pH of the solution, quantity of co-precipitant, standing time, centrifugation rate and time, sample volume, and interference of concomitant ions were investigated over the recovery yields of the trace metals. The limit of detection, the limit of quantification and linearity range obtained from the FAAS measurements were found to be in the range of 0.64 to 0.86 μg L -1 , 2.13 to 2.86 μg L -1 and 0.9972 to 0.9989 for Ni(II), Cu(III) and Zn(II) ions, respectively. The precision of the method, evaluated as the relative standard deviation (RSD) obtained after analyzing a series of 10 replicates, was between 2.6 % to 3.9 % for the trace metal ions. The proposed procedure was applied and validated by analyzing river water reference material for trace metals (SLRS-5) and spiking trace metal ions in some water samples. The recoveries of the analyte metal ions were between 94.7-101.2 %. (author)

  1. Approximation by Cylinder Surfaces

    DEFF Research Database (Denmark)

    Randrup, Thomas

    1997-01-01

    We present a new method for approximation of a given surface by a cylinder surface. It is a constructive geometric method, leading to a monorail representation of the cylinder surface. By use of a weighted Gaussian image of the given surface, we determine a projection plane. In the orthogonal...

  2. Extending the Matrix Element Method beyond the Born approximation: calculating event weights at next-to-leading order accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Martini, Till; Uwer, Peter [Humboldt-Universität zu Berlin, Institut für Physik,Newtonstraße 15, 12489 Berlin (Germany)

    2015-09-14

    In this article we illustrate how event weights for jet events can be calculated efficiently at next-to-leading order (NLO) accuracy in QCD. This is a crucial prerequisite for the application of the Matrix Element Method in NLO. We modify the recombination procedure used in jet algorithms, to allow a factorisation of the phase space for the real corrections into resolved and unresolved regions. Using an appropriate infrared regulator the latter can be integrated numerically. As illustration, we reproduce differential distributions at NLO for two sample processes. As further application and proof of concept, we apply the Matrix Element Method in NLO accuracy to the mass determination of top quarks produced in e{sup +}e{sup −} annihilation. This analysis is relevant for a future Linear Collider. We observe a significant shift in the extracted mass depending on whether the Matrix Element Method is used in leading or next-to-leading order.

  3. Extending the Matrix Element Method beyond the Born approximation: calculating event weights at next-to-leading order accuracy

    International Nuclear Information System (INIS)

    Martini, Till; Uwer, Peter

    2015-01-01

    In this article we illustrate how event weights for jet events can be calculated efficiently at next-to-leading order (NLO) accuracy in QCD. This is a crucial prerequisite for the application of the Matrix Element Method in NLO. We modify the recombination procedure used in jet algorithms, to allow a factorisation of the phase space for the real corrections into resolved and unresolved regions. Using an appropriate infrared regulator the latter can be integrated numerically. As illustration, we reproduce differential distributions at NLO for two sample processes. As further application and proof of concept, we apply the Matrix Element Method in NLO accuracy to the mass determination of top quarks produced in e"+e"− annihilation. This analysis is relevant for a future Linear Collider. We observe a significant shift in the extracted mass depending on whether the Matrix Element Method is used in leading or next-to-leading order.

  4. A more efficient implementation of the discrete-ordinates method for an approximate model of particle transport in a duct

    International Nuclear Information System (INIS)

    Ganapol, B.D.

    2015-01-01

    Highlights: • Method of doubling solution for the pipe problem. • Uses convergence acceleration. • Fully discretized solution. • Improvement over ADO. - Abstract: We consider transport of light, neutrons, or any uncharged particles in a straight duct of circular cross section. This problem first came to fashion some 30 years ago when Pomraning and Prinja formulated their so called “pipe problem”. In the years to follow, investigators applied essentially every known method of numerical solution, including MMRW’s Wiener–Hopf – except possibly one. This presentation concerns that particular numerical solution, which arguably seems to be the most efficient of all.

  5. Hybrid Prediction Method for Aircraft Interior Noise, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The goal of the project is research and development of methods for application of the Hybrid FE-SEA method to aircraft vibro-acoustic problems. This proposal...

  6. A Fourier Approximation Method for the Multi-Pump Multi-Piston Power Take-Off System

    NARCIS (Netherlands)

    Wei, Yanji; Barradas Berglind, Jose de Jesus; Muhammad Zaki Almuzakki, M.; van Rooij, Marijn; Wang, Ruoqi; Jayawardhana, Bayu; Vakis, Antonis I.

    2018-01-01

    In this work, a frequency-domain method for the numerical solution of the nonlinear dynamics of a wave energy converter with a pumping system is presented. To this end, a finite Fourier series is used to describe the nonlinear force components, i.e., the pumping force. The dynamics of the buoy and

  7. AIR Tools II: algebraic iterative reconstruction methods, improved implementation

    DEFF Research Database (Denmark)

    Hansen, Per Christian; Jørgensen, Jakob Sauer

    2017-01-01

    with algebraic iterative methods and their convergence properties. The present software is a much expanded and improved version of the package AIR Tools from 2012, based on a new modular design. In addition to improved performance and memory use, we provide more flexible iterative methods, a column-action method...

  8. Use Residual Correction Method and Monotone Iterative Technique to Calculate the Upper and Lower Approximate Solutions of Singularly Perturbed Non-linear Boundary Value Problems

    Directory of Open Access Journals (Sweden)

    Chi-Chang Wang

    2013-09-01

    Full Text Available This paper seeks to use the proposed residual correction method in coordination with the monotone iterative technique to obtain upper and lower approximate solutions of singularly perturbed non-linear boundary value problems. First, the monotonicity of a non-linear differential equation is reinforced using the monotone iterative technique, then the cubic-spline method is applied to discretize and convert the differential equation into the mathematical programming problems of an inequation, and finally based on the residual correction concept, complex constraint solution problems are transformed into simpler questions of equational iteration. As verified by the four examples given in this paper, the method proposed hereof can be utilized to fast obtain the upper and lower solutions of questions of this kind, and to easily identify the error range between mean approximate solutions and exact solutions.

  9. Development of methods for measuring materials nuclear characteristics, Phases, I, II, II and IV

    International Nuclear Information System (INIS)

    Maglic, R.

    1963-04-01

    This report contains the following phases of the project 'measurement of nuclear characteristics of reactor materials': nuclear performances of the neutron chopper; method for measuring total effective cross sections by transmission method on the chopper; review of methods for measuring activation cross sections; measurement of neutron spectra of the RA reactor and measurement of total effective cross section of gold by using the chopper

  10. VENTURE: a code block for solving multigroup neutronics problems applying the finite-difference diffusion-theory approximation to neutron transport, version II

    International Nuclear Information System (INIS)

    Vondy, D.R.; Fowler, T.B.; Cunningham, G.W.

    1977-11-01

    The report documents the computer code block VENTURE designed to solve multigroup neutronics problems with application of the finite-difference diffusion-theory approximation to neutron transport (or alternatively simple P 1 ) in up to three-dimensional geometry. It uses and generates interface data files adopted in the cooperative effort sponsored by the Reactor Physics Branch of the Division of Reactor Research and Development of the Energy Research and Development Administration. Several different data handling procedures have been incorporated to provide considerable flexibility; it is possible to solve a wide variety of problems on a variety of computer configurations relatively efficiently

  11. VENTURE: a code block for solving multigroup neutronics problems applying the finite-difference diffusion-theory approximation to neutron transport, version II. [LMFBR

    Energy Technology Data Exchange (ETDEWEB)

    Vondy, D.R.; Fowler, T.B.; Cunningham, G.W.

    1977-11-01

    The report documents the computer code block VENTURE designed to solve multigroup neutronics problems with application of the finite-difference diffusion-theory approximation to neutron transport (or alternatively simple P/sub 1/) in up to three-dimensional geometry. It uses and generates interface data files adopted in the cooperative effort sponsored by the Reactor Physics Branch of the Division of Reactor Research and Development of the Energy Research and Development Administration. Several different data handling procedures have been incorporated to provide considerable flexibility; it is possible to solve a wide variety of problems on a variety of computer configurations relatively efficiently.

  12. Approximate Cores of a General Class of Economies. Part II. Set-Up Costs and Firm Formation in Coalition Production Economies,

    Science.gov (United States)

    1982-02-01

    r AAI1Z 608 YALE UNIV NEW HAVEN CT C OWLES FOUNDATION FOR RESEARC --ETC F/G 513 APPROXIMATE CORES 6F A GENERAL CLASS OF ECONOMIES. PART It. SET--ETC(U...theoretic models of the economy in strategic form are institutional. Markets and firms and even money are assumed to exist. Cooperative game theory can be...groups. Alternatively we can define firms and firms- in-being, specify the manner of trade in the markets , define what is meant by entry and exit and

  13. A study of Monte Carlo methods for weak approximations of stochastic particle systems in the mean-field?

    KAUST Repository

    Haji Ali, Abdul Lateef

    2016-01-01

    I discuss using single level and multilevel Monte Carlo methods to compute quantities of interests of a stochastic particle system in the mean-field. In this context, the stochastic particles follow a coupled system of Ito stochastic differential equations (SDEs). Moreover, this stochastic particle system converges to a stochastic mean-field limit as the number of particles tends to infinity. I start by recalling the results of applying different versions of Multilevel Monte Carlo (MLMC) for particle systems, both with respect to time steps and the number of particles and using a partitioning estimator. Next, I expand on these results by proposing the use of our recent Multi-index Monte Carlo method to obtain improved convergence rates.

  14. A study of Monte Carlo methods for weak approximations of stochastic particle systems in the mean-field?

    KAUST Repository

    Haji Ali, Abdul Lateef

    2016-01-08

    I discuss using single level and multilevel Monte Carlo methods to compute quantities of interests of a stochastic particle system in the mean-field. In this context, the stochastic particles follow a coupled system of Ito stochastic differential equations (SDEs). Moreover, this stochastic particle system converges to a stochastic mean-field limit as the number of particles tends to infinity. I start by recalling the results of applying different versions of Multilevel Monte Carlo (MLMC) for particle systems, both with respect to time steps and the number of particles and using a partitioning estimator. Next, I expand on these results by proposing the use of our recent Multi-index Monte Carlo method to obtain improved convergence rates.

  15. Approximate solutions of pulse transport in turbulent flow in narrow fuel element bundle geometries, using the FE method

    International Nuclear Information System (INIS)

    Kaiser, H.G.

    1985-01-01

    The author is concerned with the flow conditions in case of narrow fuel element grids of pressurised-water reactors. Starting from the mathematical formulation of the flow processes for incompressible, isothermal flows, models of the turbulence characteristics are being developed. Besides turbulence models, and network structure the finite element method is treated as numeric solution process. Finally the results are summarized and discussed. (HAG) [de

  16. Hierarchical low-rank approximation for high dimensional approximation

    KAUST Repository

    Nouy, Anthony

    2016-01-01

    Tensor methods are among the most prominent tools for the numerical solution of high-dimensional problems where functions of multiple variables have to be approximated. Such high-dimensional approximation problems naturally arise in stochastic analysis and uncertainty quantification. In many practical situations, the approximation of high-dimensional functions is made computationally tractable by using rank-structured approximations. In this talk, we present algorithms for the approximation in hierarchical tensor format using statistical methods. Sparse representations in a given tensor format are obtained with adaptive or convex relaxation methods, with a selection of parameters using crossvalidation methods.

  17. Hierarchical low-rank approximation for high dimensional approximation

    KAUST Repository

    Nouy, Anthony

    2016-01-07

    Tensor methods are among the most prominent tools for the numerical solution of high-dimensional problems where functions of multiple variables have to be approximated. Such high-dimensional approximation problems naturally arise in stochastic analysis and uncertainty quantification. In many practical situations, the approximation of high-dimensional functions is made computationally tractable by using rank-structured approximations. In this talk, we present algorithms for the approximation in hierarchical tensor format using statistical methods. Sparse representations in a given tensor format are obtained with adaptive or convex relaxation methods, with a selection of parameters using crossvalidation methods.

  18. Inverse scattering transform method and soliton solutions for Davey-Stewartson II equation

    International Nuclear Information System (INIS)

    Arkadiev, V.A.; Pogrebkov, A.K.; Polivanov, M.C.

    1989-01-01

    The inverse scattering method for Davey-Stewartson II (DS-II) equation including both soliton and continuous spectrum solutions is developed. The explicit formulae for N-soliton solutions are given. Note that our solitons decrease as |z| -2 with z tending to infinity. (author). 8 refs

  19. Frozen Gaussian approximation based domain decomposition methods for the linear Schrödinger equation beyond the semi-classical regime

    Science.gov (United States)

    Lorin, E.; Yang, X.; Antoine, X.

    2016-06-01

    The paper is devoted to develop efficient domain decomposition methods for the linear Schrödinger equation beyond the semiclassical regime, which does not carry a small enough rescaled Planck constant for asymptotic methods (e.g. geometric optics) to produce a good accuracy, but which is too computationally expensive if direct methods (e.g. finite difference) are applied. This belongs to the category of computing middle-frequency wave propagation, where neither asymptotic nor direct methods can be directly used with both efficiency and accuracy. Motivated by recent works of the authors on absorbing boundary conditions (Antoine et al. (2014) [13] and Yang and Zhang (2014) [43]), we introduce Semiclassical Schwarz Waveform Relaxation methods (SSWR), which are seamless integrations of semiclassical approximation to Schwarz Waveform Relaxation methods. Two versions are proposed respectively based on Herman-Kluk propagation and geometric optics, and we prove the convergence and provide numerical evidence of efficiency and accuracy of these methods.

  20. Comparison of microstickies measurement methods. Part II, Results and discussion

    Science.gov (United States)

    Mahendra R. Doshi; Angeles Blanco; Carlos Negro; Concepcion Monte; Gilles M. Dorris; Carlos C. Castro; Axel Hamann; R. Daniel Haynes; Carl Houtman; Karen Scallon; Hans-Joachim Putz; Hans Johansson; R. A. Venditti; K. Copeland; H.-M. Chang

    2003-01-01

    In part I of the article we discussed sample preparation procedure and described various methods used for the measurement of microstickies. Some of the important features of different methods are highlighted in Table 1. Temperatures used in the measurement methods vary from room temperature in some cases, 45 °C to 65 °C in other cases. Sample size ranges from as low as...

  1. Method of approximate electric modeling of oil reservoir operation with formation of a gas cap during mixed exploitation regime

    Energy Technology Data Exchange (ETDEWEB)

    Bragin, V A; Lyadkin, V Ya

    1969-01-01

    A potentiometric model is used to simulate the behavior of a reservoir in which pressure was dropped rapidly and solution gas migrated to the top of the structure forming a gas cap. Behavior of the system was represented by a differential equation, which was solved by an electrointegrator. The potentiometric model was found to closely represent past history of the reservoir, and to predict its future behavior. When this method is used in reservoirs where large pressure drops occur, repeated determination should be made at various time intervals, so that changes in relative permeability are taken into account.

  2. Advanced Aqueous Phase Catalyst Development using Combinatorial Methods, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Combinatorial methods are proposed to develop advanced Aqueous Oxidation Catalysts (AOCs) with the capability to mineralize organic contaminants present in effluents...

  3. Approximation by planar elastic curves

    DEFF Research Database (Denmark)

    Brander, David; Gravesen, Jens; Nørbjerg, Toke Bjerge

    2016-01-01

    We give an algorithm for approximating a given plane curve segment by a planar elastic curve. The method depends on an analytic representation of the space of elastic curve segments, together with a geometric method for obtaining a good initial guess for the approximating curve. A gradient......-driven optimization is then used to find the approximating elastic curve....

  4. Frequency adaptation in controlled stochastic resonance utilizing delayed feedback method: two-pole approximation for response function.

    Science.gov (United States)

    Tutu, Hiroki

    2011-06-01

    Stochastic resonance (SR) enhanced by time-delayed feedback control is studied. The system in the absence of control is described by a Langevin equation for a bistable system, and possesses a usual SR response. The control with the feedback loop, the delay time of which equals to one-half of the period (2π/Ω) of the input signal, gives rise to a noise-induced oscillatory switching cycle between two states in the output time series, while its average frequency is just smaller than Ω in a small noise regime. As the noise intensity D approaches an appropriate level, the noise constructively works to adapt the frequency of the switching cycle to Ω, and this changes the dynamics into a state wherein the phase of the output signal is entrained to that of the input signal from its phase slipped state. The behavior is characterized by power loss of the external signal or response function. This paper deals with the response function based on a dichotomic model. A method of delay-coordinate series expansion, which reduces a non-Markovian transition probability flux to a series of memory fluxes on a discrete delay-coordinate system, is proposed. Its primitive implementation suggests that the method can be a potential tool for a systematic analysis of SR phenomenon with delayed feedback loop. We show that a D-dependent behavior of poles of a finite Laplace transform of the response function qualitatively characterizes the structure of the power loss, and we also show analytical results for the correlation function and the power spectral density.

  5. Improved Linear Algebra Methods for Redshift Computation from Limited Spectrum Data - II

    Science.gov (United States)

    Foster, Leslie; Waagen, Alex; Aijaz, Nabella; Hurley, Michael; Luis, Apolo; Rinsky, Joel; Satyavolu, Chandrika; Gazis, Paul; Srivastava, Ashok; Way, Michael

    2008-01-01

    Given photometric broadband measurements of a galaxy, Gaussian processes may be used with a training set to solve the regression problem of approximating the redshift of this galaxy. However, in practice solving the traditional Gaussian processes equation is too slow and requires too much memory. We employed several methods to avoid this difficulty using algebraic manipulation and low-rank approximation, and were able to quickly approximate the redshifts in our testing data within 17 percent of the known true values using limited computational resources. The accuracy of one method, the V Formulation, is comparable to the accuracy of the best methods currently used for this problem.

  6. A Method for Transferring Photoelectric Photometry Data from Apple II+ to IBM PC

    Science.gov (United States)

    Powell, Harry D.; Miller, James R.; Stephenson, Kipp

    1989-06-01

    A method is presented for transferring photoelectric photometry data files from an Apple II computer to an IBM PC computer in a form which is compatible with the AAVSO Photoelectric Photometry data collection process.

  7. Approximate kernel competitive learning.

    Science.gov (United States)

    Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

    2015-03-01

    Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Convergence of the standard RLS method and UDUT factorisation of covariance matrix for solving the algebraic Riccati equation of the DLQR via heuristic approximate dynamic programming

    Science.gov (United States)

    Moraes Rêgo, Patrícia Helena; Viana da Fonseca Neto, João; Ferreira, Ernesto M.

    2015-08-01

    The main focus of this article is to present a proposal to solve, via UDUT factorisation, the convergence and numerical stability problems that are related to the covariance matrix ill-conditioning of the recursive least squares (RLS) approach for online approximations of the algebraic Riccati equation (ARE) solution associated with the discrete linear quadratic regulator (DLQR) problem formulated in the actor-critic reinforcement learning and approximate dynamic programming context. The parameterisations of the Bellman equation, utility function and dynamic system as well as the algebra of Kronecker product assemble a framework for the solution of the DLQR problem. The condition number and the positivity parameter of the covariance matrix are associated with statistical metrics for evaluating the approximation performance of the ARE solution via RLS-based estimators. The performance of RLS approximators is also evaluated in terms of consistence and polarisation when associated with reinforcement learning methods. The used methodology contemplates realisations of online designs for DLQR controllers that is evaluated in a multivariable dynamic system model.

  9. Highly selective apo-arginase based method for sensitive enzymatic assay of manganese (II) and cobalt (II) ions

    Science.gov (United States)

    Stasyuk, Nataliya; Gayda, Galina; Zakalskiy, Andriy; Zakalska, Oksana; Errachid, Abdelhamid; Gonchar, Mykhailo

    2018-03-01

    A novel enzymatic method of manganese (II) and cobalt (II) ions assay, based on using apo-enzyme of Mn2 +-dependent recombinant arginase I (arginase) and 2,3-butanedione monoxime (DMO) as a chemical reagent is proposed. The principle of the method is the evaluation of the activity of L-arginine-hydrolyzing of arginase holoenzyme after the specific binding of Mn2 + or Co2 + with apo-arginase. Urea, which is the product of enzymatic hydrolysis of L-arginine (Arg), reacts with DMO and the resulted compound is detected by both fluorometry and visual spectrophotometry. Thus, the content of metal ions in the tested samples can be determined by measuring the level of urea generated after enzymatic hydrolysis of Arg by reconstructed arginase holoenzyme in the presence of tested metal ions. The linearity range of the fluorometric apo-arginase-DMO method in the case of Mn2 + assay is from 4 pM to 1.10 nM with a limit of detection of 1 pM Mn2 +, whereas the linearity range of the present method in the case of Co2 + assay is from 8 pM to 45 nM with a limit of detection of 2.5 pM Co2 +. The proposed method being highly sensitive, selective, valid and low-cost, may be useful to monitor Mn2 + and Co2 + content in clinical laboratories, food industry and environmental control service.

  10. Diophantine approximation and badly approximable sets

    DEFF Research Database (Denmark)

    Kristensen, S.; Thorn, R.; Velani, S.

    2006-01-01

    . The classical set Bad of `badly approximable' numbers in the theory of Diophantine approximation falls within our framework as do the sets Bad(i,j) of simultaneously badly approximable numbers. Under various natural conditions we prove that the badly approximable subsets of Omega have full Hausdorff dimension...

  11. Uncertainty estimation with a small number of measurements, part II: a redefinition of uncertainty and an estimator method

    Science.gov (United States)

    Huang, Hening

    2018-01-01

    This paper is the second (Part II) in a series of two papers (Part I and Part II). Part I has quantitatively discussed the fundamental limitations of the t-interval method for uncertainty estimation with a small number of measurements. This paper (Part II) reveals that the t-interval is an ‘exact’ answer to a wrong question; it is actually misused in uncertainty estimation. This paper proposes a redefinition of uncertainty, based on the classical theory of errors and the theory of point estimation, and a modification of the conventional approach to estimating measurement uncertainty. It also presents an asymptotic procedure for estimating the z-interval. The proposed modification is to replace the t-based uncertainty with an uncertainty estimator (mean- or median-unbiased). The uncertainty estimator method is an approximate answer to the right question to uncertainty estimation. The modified approach provides realistic estimates of uncertainty, regardless of whether the population standard deviation is known or unknown, or if the sample size is small or large. As an application example of the modified approach, this paper presents a resolution to the Du-Yang paradox (i.e. Paradox 2), one of the three paradoxes caused by the misuse of the t-interval in uncertainty estimation.

  12. Strong copper(II) species in estuarine and sea waters investigated by a method with high detection window.

    Science.gov (United States)

    Alberti, Giancarla; Biesuz, Raffaela; D'Agostino, Girolamo; Scarponi, Giuseppe; Pesavento, Maria

    2007-02-15

    The distribution of copper(II) in species of different stability in some estuarine and sea water samples (Adriatic Sea) was investigated by a method based on the sorption of the metal ion on a strongly sorbing resin, Chelex 100, whose sorbing properties have been previously characterized. From them, it is possible to predict very high values of detection windows at the considered conditions, for example side reaction coefficient as high as 10(10) at pH 7.5. Strong copper(II) species in equilibrium with Chelex 100 were detected, at concentration 2-20nM, with a reaction coefficient approximately 10(10.6) at pH 7.45 in sea water, strictly depending on the acidity. They represent 50-70% of the total metal ion and are the strongest copper(II) complexes found in sea water. Weak complexes too were detected in all the samples, with reaction coefficient lower than ca. 10(9) at the same pH. The method applied, named resin titration (RT), was described in a previous investigation, and is here modified in order to be carried out on oceanographic boat during a cruise in the Adriatic Sea.

  13. Approximate quantum chemical methods for modelling carbohydrate conformation and aromatic interactions: β-cyclodextrin and its adsorption on a single-layer graphene sheet.

    Science.gov (United States)

    Jaiyong, Panichakorn; Bryce, Richard A

    2017-06-14

    Noncovalent functionalization of graphene by carbohydrates such as β-cyclodextrin (βCD) has the potential to improve graphene dispersibility and its use in biomedical applications. Here we explore the ability of approximate quantum chemical methods to accurately model βCD conformation and its interaction with graphene. We find that DFTB3, SCC-DFTB and PM3CARB-1 methods provide the best agreement with density functional theory (DFT) in calculation of relative energetics of gas-phase βCD conformers; however, the remaining NDDO-based approaches we considered underestimate the stability of the trans,gauche vicinal diol conformation. This diol orientation, corresponding to a clockwise hydrogen bonding arrangement in the glucosyl residue of βCD, is present in the lowest energy βCD conformer. Consequently, for adsorption on graphene of clockwise or counterclockwise hydrogen bonded forms of βCD, calculated with respect to this unbound conformer, the DFTB3 method provides closer agreement with DFT values than PM7 and PM6-DH2 approaches. These findings suggest approximate quantum chemical methods as potentially useful tools to guide the design of carbohydrate-graphene interactions, but also highlights the specific challenge to NDDO-based methods in capturing the relative energetics of carbohydrate hydrogen bond networks.

  14. Study of the interaction between mercury (II) and bovine serum albumin by spectroscopic methods.

    Science.gov (United States)

    Chunmei, Dai; Cunwei, Ji; Huixiang, Lan; Yuze, Song; Wei, Yang; Dan, Zheng

    2014-03-01

    Mercury is a significant environmental pollutant that originates from industry. Mercury will bind with albumin and destroy biological functions in humans if it enters the blood. In this paper, the interaction between mercury (II) and bovine serum albumin (BSA) was investigated in vitro by fluorescence, UV-Vis absorption and circular dichroism (CD) under simulated physiological conditions. This study proves that the probable quenching mechanism of BSA by mercury (II) was mainly static quenching due to the formation of a mercury (II)-BSA complex. The quenching constant K(a) and the corresponding thermodynamic parameters (ΔH, ΔS and ΔG) at four different temperatures were calculated by a modified Stern-Volmer equation and the van't Hoff equation, respectively. The results revealed that the interaction between mercury (II) and BSA was mainly enthalpy-driven and that hydrogen bonding and van der Waals forces played a major role in the reaction. The obtained data for binding sites of n approximately equal to 1 indicated that there was a single class of binding site for the BSA with mercury (II). The value of the distance r (3.55 nm), determined by Föster's non-radioactive energy transfer theory, suggested that the energy transfer from BSA to mercury (II) occurred with a high probability. The conformational investigation from synchronous fluorescence, CD spectroscopy and three-dimensional fluorescence showed that the presence of mercury (II) resulted in micro-environmental and conformational changes of the BSA molecules, which may be responsible for the toxicity of mercury (II) in vivo. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. IMPROVEMENT OF ACCURACY OF RADIATIVE HEAT TRANSFER DIFFERENTIAL APPROXIMATION METHOD FOR MULTI DIMENSIONAL SYSTEMS BY MEANS OF AUTO-ADAPTABLE BOUNDARY CONDITIONS

    Directory of Open Access Journals (Sweden)

    K. V. Dobrego

    2015-01-01

    Full Text Available Differential approximation is derived from radiation transfer equation by averaging over the solid angle. It is one of the more effective methods for engineering calculations of radia- tive heat transfer in complex three-dimensional thermal power systems with selective and scattering media. The new method for improvement of accuracy of the differential approximation based on using of auto-adaptable boundary conditions is introduced in the paper. The  efficiency  of  the  named  method  is  proved  for  the  test  2D-systems.  Self-consistent auto-adaptable boundary conditions taking into consideration the nonorthogonal component of the incident to the boundary radiation flux are formulated. It is demonstrated that taking in- to consideration of the non- orthogonal incident flux in multi-dimensional systems, such as furnaces, boilers, combustion chambers improves the accuracy of the radiant flux simulations and to more extend in the zones adjacent to the edges of the chamber.Test simulations utilizing the differential approximation method with traditional boundary conditions, new self-consistent boundary conditions and “precise” discrete ordinates method were performed. The mean square errors of the resulting radiative fluxes calculated along the boundary of rectangular and triangular test areas were decreased 1.5–2 times by using auto- adaptable boundary conditions. Radiation flux gaps in the corner points of non-symmetric sys- tems are revealed by using auto-adaptable boundary conditions which can not be obtained by using the conventional boundary conditions.

  16. Comparison of two dietary assessment methods by food consumption: results of the German National Nutrition Survey II.

    Science.gov (United States)

    Eisinger-Watzl, Marianne; Straßburg, Andrea; Ramünke, Josa; Krems, Carolin; Heuer, Thorsten; Hoffmann, Ingrid

    2015-04-01

    To further characterise the performance of the diet history method and the 24-h recalls method, both in an updated version, a comparison was conducted. The National Nutrition Survey II, representative for Germany, assessed food consumption with both methods. The comparison was conducted in a sample of 9,968 participants aged 14-80. Besides calculating mean differences, statistical agreement measurements encompass Spearman and intraclass correlation coefficients, ranking participants in quartiles and the Bland-Altman method. Mean consumption of 12 out of 18 food groups was higher assessed with the diet history method. Three of these 12 food groups had a medium to large effect size (e.g., raw vegetables) and seven showed at least a small strength while there was basically no difference for coffee/tea or ice cream. Intraclass correlations were strong only for beverages (>0.50) and revealed the least correlation for vegetables (diet history method to remember consumption of the past 4 weeks may be a source of inaccurateness, especially for inhomogeneous food groups. Additionally, social desirability gains significance. There is no assessment method without errors and attention to specific food groups is a critical issue with every method. Altogether, the 24-h recalls method applied in the presented study, offers advantages approximating food consumption as compared to the diet history method.

  17. TRANSFORMED GENERATE APPROXIMATION METHOD FOR ...

    African Journals Online (AJOL)

    Ignatius & Ebimene

    generalized boundary value problems with first-kind Chebychev polynomials as trial ... For this course, we will consider the generalized boundary value problem of the form: ... 0(1)( − 1), are finite real constants and is the .... b. Ax = (10) where the elements of , and (with elements denoted as ,.

  18. [Pharmacogenetics II. Research molecular methods, bioinformatics and ethical concerns].

    Science.gov (United States)

    Daudén, E

    2007-01-01

    Pharmacogenetics refers to the study of the individual pharmacological response based on the genotype. Its objective is to optimize treatment in an individual basis, thereby creating a more efficient and safe personalized therapy. In the second part of this review, the molecular methods of study in pharmacogenetics, including microarray technology or DNA chips, are discussed. Among them we highlight the microarrays used to determine the gene expression that detect specific RNA sequences, and the microarrays employed to determine the genotype that detect specific DNA sequences, including polymorphisms, particularly single nucleotide polymorphisms (SNPs). The relationship between pharmacogenetics, bioinformatics and ethical concerns is reviewed.

  19. Dimensional analysis and qualitative methods in problem solving: II

    International Nuclear Information System (INIS)

    Pescetti, D

    2009-01-01

    We show that the underlying mathematical structure of dimensional analysis (DA), in the qualitative methods in problem-solving context, is the algebra of the affine spaces. In particular, we show that the qualitative problem-solving procedure based on the parallel decomposition of a problem into simple special cases yields the new original mathematical concepts of special points and special representations of affine spaces. A qualitative problem-solving algorithm piloted by the mathematics of DA is illustrated by a set of examples.

  20. Vortex sheet approximation of boundary layers

    International Nuclear Information System (INIS)

    Chorin, A.J.

    1978-01-01

    a grid free method for approximating incomprssible boundary layers is introduced. The computational elements are segments of vortex sheets. The method is related to the earlier vortex method; simplicity is achieved at the cost of replacing the Navier-Stokes equations by the Prandtl boundary layer equations. A new method for generating vorticity at boundaries is also presented; it can be used with the earlier voartex method. The applications presented include (i) flat plate problems, and (ii) a flow problem in a model cylinder- piston assembly, where the new method is used near walls and an improved version of the random choice method is used in the interior. One of the attractive features of the new method is the ease with which it can be incorporated into hybrid algorithms

  1. Grassmann phase space methods for fermions. II. Field theory

    Energy Technology Data Exchange (ETDEWEB)

    Dalton, B.J., E-mail: bdalton@swin.edu.au [Centre for Quantum and Optical Science, Swinburne University of Technology, Melbourne, Victoria 3122 (Australia); Jeffers, J. [Department of Physics, University of Strathclyde, Glasgow G4ONG (United Kingdom); Barnett, S.M. [School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom)

    2017-02-15

    In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggests the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. This paper presents a phase space theory for fermion systems based on distribution functionals, which replace the density operator and involve Grassmann fields representing anti-commuting fermion field annihilation, creation operators. It is an extension of a previous phase space theory paper for fermions (Paper I) based on separate modes, in which the density operator is replaced by a distribution function depending on Grassmann phase space variables which represent the mode annihilation and creation operators. This further development of the theory is important for the situation when large numbers of fermions are involved, resulting in too many modes to treat separately. Here Grassmann fields, distribution functionals, functional Fokker–Planck equations and Ito stochastic field equations are involved. Typical applications to a trapped Fermi gas of interacting spin 1/2 fermionic atoms and to multi-component Fermi gases with non-zero range interactions are presented, showing that the Ito stochastic field equations are local in these cases. For the spin 1/2 case we also show how simple solutions can be obtained both for the untrapped case and for an optical lattice trapping potential.

  2. Grassmann phase space methods for fermions. II. Field theory

    International Nuclear Information System (INIS)

    Dalton, B.J.; Jeffers, J.; Barnett, S.M.

    2017-01-01

    In both quantum optics and cold atom physics, the behaviour of bosonic photons and atoms is often treated using phase space methods, where mode annihilation and creation operators are represented by c-number phase space variables, with the density operator equivalent to a distribution function of these variables. The anti-commutation rules for fermion annihilation, creation operators suggests the possibility of using anti-commuting Grassmann variables to represent these operators. However, in spite of the seminal work by Cahill and Glauber and a few applications, the use of Grassmann phase space methods in quantum-atom optics to treat fermionic systems is rather rare, though fermion coherent states using Grassmann variables are widely used in particle physics. This paper presents a phase space theory for fermion systems based on distribution functionals, which replace the density operator and involve Grassmann fields representing anti-commuting fermion field annihilation, creation operators. It is an extension of a previous phase space theory paper for fermions (Paper I) based on separate modes, in which the density operator is replaced by a distribution function depending on Grassmann phase space variables which represent the mode annihilation and creation operators. This further development of the theory is important for the situation when large numbers of fermions are involved, resulting in too many modes to treat separately. Here Grassmann fields, distribution functionals, functional Fokker–Planck equations and Ito stochastic field equations are involved. Typical applications to a trapped Fermi gas of interacting spin 1/2 fermionic atoms and to multi-component Fermi gases with non-zero range interactions are presented, showing that the Ito stochastic field equations are local in these cases. For the spin 1/2 case we also show how simple solutions can be obtained both for the untrapped case and for an optical lattice trapping potential.

  3. Analysis of expansion phase experiments with improved approximation schemes

    International Nuclear Information System (INIS)

    Foit, J.J.

    1987-05-01

    A steady-state flow of a single-phase and incompressible fluid across a singularity is studied. Based on these theoretical considerations new approximation methods for the pressure gradient term in the SIMMER-II momentum equations are proposed which give a satisfactory pressure change in flows across singularities. The expansion phase experiments with a dipplate performed by SRI-International are evaluated to examine the quality of the proposed approximation schemes. (orig.) [de

  4. Measuring solar reflectance - Part II: Review of practical methods

    Energy Technology Data Exchange (ETDEWEB)

    Levinson, Ronnen; Akbari, Hashem; Berdahl, Paul [Heat Island Group, Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States)

    2010-09-15

    A companion article explored how solar reflectance varies with surface orientation and solar position, and found that clear sky air mass 1 global horizontal (AM1GH) solar reflectance is a preferred quantity for estimating solar heat gain. In this study we show that AM1GH solar reflectance R{sub g,0} can be accurately measured with a pyranometer, a solar spectrophotometer, or an updated edition of the Solar Spectrum Reflectometer (version 6). Of primary concern are errors that result from variations in the spectral and angular distributions of incident sunlight. Neglecting shadow, background and instrument errors, the conventional pyranometer technique can measure R{sub g,0} to within 0.01 for surface slopes up to 5:12 [23 ], and to within 0.02 for surface slopes up to 12:12 [45 ]. An alternative pyranometer method minimizes shadow errors and can be used to measure R{sub g,0} of a surface as small as 1 m in diameter. The accuracy with which it can measure R{sub g,0} is otherwise comparable to that of the conventional pyranometer technique. A solar spectrophotometer can be used to determine R{sub g,0}{sup *}, a solar reflectance computed by averaging solar spectral reflectance weighted with AM1GH solar spectral irradiance. Neglecting instrument errors, R{sub g,0}{sup *} matches R{sub g,0} to within 0.006. The air mass 1.5 solar reflectance measured with version 5 of the Solar Spectrum Reflectometer can differ from R{sub g,0}{sup *} by as much as 0.08, but the AM1GH output of version 6 of this instrument matches R{sub g,0}{sup *} to within about 0.01. (author)

  5. The metabolic network of Clostridium acetobutylicum: Comparison of the approximate Bayesian computation via sequential Monte Carlo (ABC-SMC) and profile likelihood estimation (PLE) methods for determinability analysis.

    Science.gov (United States)

    Thorn, Graeme J; King, John R

    2016-01-01

    The Gram-positive bacterium Clostridium acetobutylicum is an anaerobic endospore-forming species which produces acetone, butanol and ethanol via the acetone-butanol (AB) fermentation process, leading to biofuels including butanol. In previous work we looked to estimate the parameters in an ordinary differential equation model of the glucose metabolism network using data from pH-controlled continuous culture experiments. Here we combine two approaches, namely the approximate Bayesian computation via an existing sequential Monte Carlo (ABC-SMC) method (to compute credible intervals for the parameters), and the profile likelihood estimation (PLE) (to improve the calculation of confidence intervals for the same parameters), the parameters in both cases being derived from experimental data from forward shift experiments. We also apply the ABC-SMC method to investigate which of the models introduced previously (one non-sporulation and four sporulation models) have the greatest strength of evidence. We find that the joint approximate posterior distribution of the parameters determines the same parameters as previously, including all of the basal and increased enzyme production rates and enzyme reaction activity parameters, as well as the Michaelis-Menten kinetic parameters for glucose ingestion, while other parameters are not as well-determined, particularly those connected with the internal metabolites acetyl-CoA, acetoacetyl-CoA and butyryl-CoA. We also find that the approximate posterior is strongly non-Gaussian, indicating that our previous assumption of elliptical contours of the distribution is not valid, which has the effect of reducing the numbers of pairs of parameters that are (linearly) correlated with each other. Calculations of confidence intervals using the PLE method back this up. Finally, we find that all five of our models are equally likely, given the data available at present. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. A variational multi-scale method with spectral approximation of the sub-scales: Application to the 1D advection-diffusion equations

    KAUST Repository

    Chacó n Rebollo, Tomá s; Dia, Ben Mansour

    2015-01-01

    This paper introduces a variational multi-scale method where the sub-grid scales are computed by spectral approximations. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. This allows to element-wise calculate the sub-grid scales by means of the associated spectral expansion. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a finite number of modes. We apply this general framework to the convection-diffusion equation, by analytically computing the family of eigenfunctions. We perform a convergence and error analysis. We also present some numerical tests that show the stability of the method for an odd number of spectral modes, and an improvement of accuracy in the large resolved scales, due to the adding of the sub-grid spectral scales.

  7. A variational multi-scale method with spectral approximation of the sub-scales: Application to the 1D advection-diffusion equations

    KAUST Repository

    Chacón Rebollo, Tomás

    2015-03-01

    This paper introduces a variational multi-scale method where the sub-grid scales are computed by spectral approximations. It is based upon an extension of the spectral theorem to non necessarily self-adjoint elliptic operators that have an associated base of eigenfunctions which are orthonormal in weighted L2 spaces. This allows to element-wise calculate the sub-grid scales by means of the associated spectral expansion. We propose a feasible VMS-spectral method by truncation of this spectral expansion to a finite number of modes. We apply this general framework to the convection-diffusion equation, by analytically computing the family of eigenfunctions. We perform a convergence and error analysis. We also present some numerical tests that show the stability of the method for an odd number of spectral modes, and an improvement of accuracy in the large resolved scales, due to the adding of the sub-grid spectral scales.

  8. Implementation of Kalman filter algorithm on models reduced using singular pertubation approximation method and its application to measurement of water level

    Science.gov (United States)

    Rachmawati, Vimala; Khusnul Arif, Didik; Adzkiya, Dieky

    2018-03-01

    The systems contained in the universe often have a large order. Thus, the mathematical model has many state variables that affect the computation time. In addition, generally not all variables are known, so estimations are needed to measure the magnitude of the system that cannot be measured directly. In this paper, we discuss the model reduction and estimation of state variables in the river system to measure the water level. The model reduction of a system is an approximation method of a system with a lower order without significant errors but has a dynamic behaviour that is similar to the original system. The Singular Perturbation Approximation method is one of the model reduction methods where all state variables of the equilibrium system are partitioned into fast and slow modes. Then, The Kalman filter algorithm is used to estimate state variables of stochastic dynamic systems where estimations are computed by predicting state variables based on system dynamics and measurement data. Kalman filters are used to estimate state variables in the original system and reduced system. Then, we compare the estimation results of the state and computational time between the original and reduced system.

  9. An approximate inversion method of geoelectrical sounding data using linear and bayesian statistical approaches. Examples of Tritrivakely volcanic lake and Mahitsy area (central part of Madagascar)

    International Nuclear Information System (INIS)

    Ranaivo Nomenjanahary, F.; Rakoto, H.; Ratsimbazafy, J.B.

    1994-08-01

    This paper is concerned with resistivity sounding measurements performed from single site (vertical sounding) or from several sites (profiles) within a bounded area. The objective is to present an accurate information about the study area and to estimate the likelihood of the produced quantitative models. The achievement of this objective obviously requires quite relevant data and processing methods. It also requires interpretation methods which should take into account the probable effect of an heterogeneous structure. In front of such difficulties, the interpretation of resistivity sounding data inevitably involves the use of inversion methods. We suggest starting the interpretation in simple situation (1-D approximation), and using the rough but correct model obtained as an a-priori model for any more refined interpretation. Related to this point of view, special attention should be paid for the inverse problem applied to the resistivity sounding data. This inverse problem is nonlinear, while linearity inherent in the functional response used to describe the physical experiment. Two different approaches are used to build an approximate but higher dimensional inversion of geoelectrical data: the linear approach and the bayesian statistical approach. Some illustrations of their application in resistivity sounding data acquired at Tritrivakely volcanic lake (single site) and at Mahitsy area (several sites) will be given. (author). 28 refs, 7 figs

  10. On the WKBJ approximation

    International Nuclear Information System (INIS)

    El Sawi, M.

    1983-07-01

    A simple approach employing properties of solutions of differential equations is adopted to derive an appropriate extension of the WKBJ method. Some of the earlier techniques that are commonly in use are unified, whereby the general approximate solution to a second-order homogeneous linear differential equation is presented in a standard form that is valid for all orders. In comparison to other methods, the present one is shown to be leading in the order of iteration, and thus possibly has the ability of accelerating the convergence of the solution. The method is also extended for the solution of inhomogeneous equations. (author)

  11. Finite elements and approximation

    CERN Document Server

    Zienkiewicz, O C

    2006-01-01

    A powerful tool for the approximate solution of differential equations, the finite element is extensively used in industry and research. This book offers students of engineering and physics a comprehensive view of the principles involved, with numerous illustrative examples and exercises.Starting with continuum boundary value problems and the need for numerical discretization, the text examines finite difference methods, weighted residual methods in the context of continuous trial functions, and piecewise defined trial functions and the finite element method. Additional topics include higher o

  12. Beyond the relativistic mean-field approximation. II. Configuration mixing of mean-field wave functions projected on angular momentum and particle number

    International Nuclear Information System (INIS)

    Niksic, T.; Vretenar, D.; Ring, P.

    2006-01-01

    The framework of relativistic self-consistent mean-field models is extended to include correlations related to the restoration of broken symmetries and to fluctuations of collective variables. The generator coordinate method is used to perform configuration mixing of angular-momentum and particle-number projected relativistic wave functions. The geometry is restricted to axially symmetric shapes, and the intrinsic wave functions are generated from the solutions of the relativistic mean-field+Lipkin-Nogami BCS equations, with a constraint on the mass quadrupole moment. The model employs a relativistic point-coupling (contact) nucleon-nucleon effective interaction in the particle-hole channel, and a density-independent δ-interaction in the pairing channel. Illustrative calculations are performed for 24 Mg, 32 S, and 36 Ar, and compared with results obtained employing the model developed in the first part of this work, i.e., without particle-number projection, as well as with the corresponding nonrelativistic models based on Skyrme and Gogny effective interactions

  13. Development of methods for measuring materials nuclear characteristics, Phases, I, II, II and IV; Razvijanje metoda merenja nuklearnih karakteristika materijala, I, II, II i VI faza

    Energy Technology Data Exchange (ETDEWEB)

    Maglic, R [Boris Kidric Institute of Nuclear Sciences Vinca, Belgrade (Yugoslavia)

    1963-04-15

    This report contains the following phases of the project 'measurement of nuclear characteristics of reactor materials': nuclear performances of the neutron chopper; method for measuring total effective cross sections by transmission method on the chopper; review of methods for measuring activation cross sections; measurement of neutron spectra of the RA reactor and measurement of total effective cross section of gold by using the chopper.

  14. Optimization and approximation

    CERN Document Server

    Pedregal, Pablo

    2017-01-01

    This book provides a basic, initial resource, introducing science and engineering students to the field of optimization. It covers three main areas: mathematical programming, calculus of variations and optimal control, highlighting the ideas and concepts and offering insights into the importance of optimality conditions in each area. It also systematically presents affordable approximation methods. Exercises at various levels have been included to support the learning process.

  15. About solution of multipoint boundary problem of static analysis of deep beam with the use of combined application of finite element method and discrete-continual finite element method. part 1: formulation of the problem and general principles of approximation

    Directory of Open Access Journals (Sweden)

    Lyakhovich Leonid

    2017-01-01

    Full Text Available This paper is devoted to formulation and general principles of approximation of multipoint boundary problem of static analysis of deep beam with the use of combined application of finite element method (FEM discrete-continual finite element method (DCFEM. The field of application of DCFEM comprises structures with regular physical and geometrical parameters in some dimension (“basic” dimension. DCFEM presupposes finite element approximation for non-basic dimension while in the basic dimension problem remains continual. DCFEM is based on analytical solutions of resulting multipoint boundary problems for systems of ordinary differential equations with piecewise-constant coefficients.

  16. Approximate solutions of a nonlinear oscillator typified as a mass attached to a stretched elastic wire by the homotopy perturbation method

    International Nuclear Information System (INIS)

    Belendez, A.; Belendez, T.; Neipp, C.; Hernandez, A.; Alvarez, M.L.

    2009-01-01

    The homotopy perturbation method is used to solve the nonlinear differential equation that governs the nonlinear oscillations of a system typified as a mass attached to a stretched elastic wire. The restoring force for this oscillator has an irrational term with a parameter λ that characterizes the system (0 ≤ λ ≤ 1). For λ = 1 and small values of x, the restoring force does not have a dominant term proportional to x. We find this perturbation method works very well for the whole range of parameters involved, and excellent agreement of the approximate frequencies and periodic solutions with the exact ones has been demonstrated and discussed. Only one iteration leads to high accuracy of the solutions and the maximal relative error for the approximate frequency is less than 2.2% for small and large values of oscillation amplitude. This error corresponds to λ = 1, while for λ < 1 the relative error is much lower. For example, its value is as low as 0.062% for λ = 0.5.

  17. Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

    Science.gov (United States)

    Izsák, Róbert; Neese, Frank

    2013-07-01

    The 'chain of spheres' approximation, developed earlier for the efficient evaluation of the self-consistent field exchange term, is introduced here into the evaluation of the external exchange term of higher order correlation methods. Its performance is studied in the specific case of the spin-component-scaled third-order Møller--Plesset perturbation (SCS-MP3) theory. The results indicate that the approximation performs excellently in terms of both computer time and achievable accuracy. Significant speedups over a conventional method are obtained for larger systems and basis sets. Owing to this development, SCS-MP3 calculations on molecules of the size of penicillin (42 atoms) with a polarised triple-zeta basis set can be performed in ∼3 hours using 16 cores of an Intel Xeon E7-8837 processor with a 2.67 GHz clock speed, which represents a speedup by a factor of 8-9 compared to the previously most efficient algorithm. Thus, the increased accuracy offered by SCS-MP3 can now be explored for at least medium-sized molecules.

  18. An optimal implicit staggered-grid finite-difference scheme based on the modified Taylor-series expansion with minimax approximation method for elastic modeling

    Science.gov (United States)

    Yang, Lei; Yan, Hongyong; Liu, Hong

    2017-03-01

    Implicit staggered-grid finite-difference (ISFD) scheme is competitive for its great accuracy and stability, whereas its coefficients are conventionally determined by the Taylor-series expansion (TE) method, leading to a loss in numerical precision. In this paper, we modify the TE method using the minimax approximation (MA), and propose a new optimal ISFD scheme based on the modified TE (MTE) with MA method. The new ISFD scheme takes the advantage of the TE method that guarantees great accuracy at small wavenumbers, and keeps the property of the MA method that keeps the numerical errors within a limited bound at the same time. Thus, it leads to great accuracy for numerical solution of the wave equations. We derive the optimal ISFD coefficients by applying the new method to the construction of the objective function, and using a Remez algorithm to minimize its maximum. Numerical analysis is made in comparison with the conventional TE-based ISFD scheme, indicating that the MTE-based ISFD scheme with appropriate parameters can widen the wavenumber range with high accuracy, and achieve greater precision than the conventional ISFD scheme. The numerical modeling results also demonstrate that the MTE-based ISFD scheme performs well in elastic wave simulation, and is more efficient than the conventional ISFD scheme for elastic modeling.

  19. OUTCOME OF GARTLAND TYPE – II SUPRACONDYLAR FRACTURES OF HUMERUS TREATED BY CONSERVATIVE METHOD

    Directory of Open Access Journals (Sweden)

    Dinesh Mitra

    2015-08-01

    Full Text Available BACKGROUND: The current literatures recommend operative method (closed reduction and pinning for type II supracondylar fractures of humerus. But some surgeons still prefer conservative method for type II supracondylar fractures of humerus. We pr esent results of 14 cases of type II supracondylar fractures treated with CR and AE POP immobilization . The purpose of this study is to evaluate the outcome of conservative treatment in management of type II supracondylar fracture of humerus. MATERIALS AND METHODS: Fourteen children treated by conservative methods (CR & AE POP between January 2013 and December 2014 is included in this study. The mean age group is 6.8 years (3 years - 11 years. The patient follow up is done for a minimum of 10 - 12 weeks. Treatment outcome is based on final clinical and radiological assessments and grading of results was done using Flynn’s criteria. RESULTS: Gartland type II fracture gives 82% excellent results and 28 % good results as per Flynn’s criteria. Of the 14 patien ts only two cases required re manipulation. Surgical intervention was not needed for any of the patients. No patients in this study developed compartment syndrome / cubitus varus deformity. CONCLUSION: Satisfactory results can be obtained with conservative treatment (closed reduction and above elbow POP if proper selection of the patient and careful clinical and radiological follow up is done

  20. Approximate method of calculation of non-equilibrium flow parameters of chemically reacting nitrogen tetroxide in the variable cross-section channels with energy exchange

    International Nuclear Information System (INIS)

    Bazhin, M.A.; Fedosenko, G.Eh.; Shiryaeva, N.M.; Mal'ko, M.V.

    1986-01-01

    It is shown that adiabatic non-equilibrium chemically reacting gas flow with energy exchange in a variable cross-section channel may be subdivided into five possible types: 1) quasi-equilibrium flow; 2) flow in the linear region of deviation from equilibrium state; 3) quasi-frozen flow; 4) flow in the linear region of deviation from frozen state; 5) non-equilibrium flow. Criteria of quasi-equilibrium and quazi-frozen flows, including factors of external action of chemically reacting gas on flow, allow to obtain simple but sufficiently reliable approximate method of calculation of flow parameters. The considered method for solving the problem of chemically reacting nitrogen tetroxide in the variable cross-section channel with energy exchange can be used for evaluation of chemical reaction kinetics on the flow parameter in the stages of axial-flow and radial-flow turbines and in another practical problems

  1. High speed phototimer and biplane II blanking method in 105 mm RSC photographing of circulatory system

    International Nuclear Information System (INIS)

    Kaga, Yuji; Kiuchi, Shigeo; Sato, Masami; Komatsuda, Yasushi; Nishio, Kosaku.

    1979-01-01

    A high speed phototimer as an autoexposure mechanism was developed for 105 mm II indirect continuous photographing of circulatory system. The phototimer can give repeated response of 12 times/sec and the shortest X-ray shut out of 1 m sec. The proper lighting field for the phototimer is 7 mm diameter (12%) of the II input area, equivalent to 80 mm in diameter), and the tube voltage, object property and the focus-II distance characteristics are all well corrected to give good photographs of optimal density. The mutual fog in biplane photographing can be removed by adopting II blanking method. As blanking can respond quite rapidly, photographing time plus 2 m sec is enough for blanking time. That means the positive phase can be brought close to 3 m sec. This mechanism can be applied for biplane cine-photographing. (Kobatake, H.)

  2. Exact constants in approximation theory

    CERN Document Server

    Korneichuk, N

    1991-01-01

    This book is intended as a self-contained introduction for non-specialists, or as a reference work for experts, to the particular area of approximation theory that is concerned with exact constants. The results apply mainly to extremal problems in approximation theory, which in turn are closely related to numerical analysis and optimization. The book encompasses a wide range of questions and problems: best approximation by polynomials and splines; linear approximation methods, such as spline-approximation; optimal reconstruction of functions and linear functionals. Many of the results are base

  3. An improved saddlepoint approximation.

    Science.gov (United States)

    Gillespie, Colin S; Renshaw, Eric

    2007-08-01

    Given a set of third- or higher-order moments, not only is the saddlepoint approximation the only realistic 'family-free' technique available for constructing an associated probability distribution, but it is 'optimal' in the sense that it is based on the highly efficient numerical method of steepest descents. However, it suffers from the problem of not always yielding full support, and whilst [S. Wang, General saddlepoint approximations in the bootstrap, Prob. Stat. Lett. 27 (1992) 61.] neat scaling approach provides a solution to this hurdle, it leads to potentially inaccurate and aberrant results. We therefore propose several new ways of surmounting such difficulties, including: extending the inversion of the cumulant generating function to second-order; selecting an appropriate probability structure for higher-order cumulants (the standard moment closure procedure takes them to be zero); and, making subtle changes to the target cumulants and then optimising via the simplex algorithm.

  4. Similarity solution and Runge Kutta method to a thermal boundary layer model at the entrance region of a circular tube: The Lévêque Approximation

    Directory of Open Access Journals (Sweden)

    Ali Belhocine

    2018-01-01

    Full Text Available In the thermal entrance region, a thermal boundary layer develops and also reaches the circular tube center. The fully developed region is the zone in which the flow is both hydrodynamically and thermally developed. The heat flux will be higher near the inlet because the heat transfer coefficient is highest at the tube inlet where the thickness of the thermal boundary layer is zero and decreases gradually to the fully developed value. In this paper, the assumptions implicit in Leveque's approximation are re-examined, and the analytical solution of the problem with additional boundary conditions, for the temperature field and the boundary layer thickness through the long tube is presented. By defining a similarity variable, the governing equations are reduced to a dimensionless equation with an analytic solution in the entrance region. This report gives justification for the similarity variable via scaling analysis, details the process of converting to a similarity form, and presents a similarity solution. The analytical solutions are then checked against numerical solution programming by Fortran code obtained via using Runge-Kutta fourth order (RK4 method. Finally, others important thermal results obtained from this analysis, such as; approximate Nusselt number in the thermal entrance region was discussed in detail.

  5. Transforming criticality control methods for EBR-II fuel handling during reactor decommissioning

    International Nuclear Information System (INIS)

    Eberle, C.S.; Dean, E.M.; Angelo, P.L.

    1995-01-01

    A review of the Department of Energy (DOE) request to decommission the Experimental Breeder Reactor-II (EBR-II) was conducted in order to develop a scope of work and analysis method for performing the safety review of the facility. Evaluation of the current national standards, DOE orders, EBR-II nuclear safeguards and criticality control practices showed that a decommissioning policy for maintaining criticality safety during a long term fuel transfer process did not exist. The purpose of this research was to provide a technical basis for transforming the reactor from an instrumentation and measurement controlled system to a system that provides both physical constraint and administrative controls to prevent criticality accidents. Essentially, this was done by modifying the reactor core configuration, reactor operations procedures and system instrumentation to meet the safety practices of ANS-8.1-1983. Subcritical limits were determined by applying established liquid metal reactor methods for both the experimental and computational validations

  6. Using the SAND-II and MLM methods to reconstruct fast neutron spectra

    International Nuclear Information System (INIS)

    Bondars, Kh.Ya.; Kamnev, V.A.; Lapenas, A.A.; Troshin, V.S.

    1981-01-01

    The reconstruction of fast neutron spectra from measured reaction rates may be reduced to the solution of Fredholm's integral equation of the first kind. This problem falls in the category of incorrectly formulated problems, and so additional information is required concerning the unknown function i.e. concerning the differential energy dependence of the neutron, flux density sup(phi)(E). There are various methods for seeking a solution to the problem as formulated above. One of the best-known methods used in the USSR is the maximum likelihood method (MLM) (or directional difference method (DDM)), whereas SAND-II is commonly used abroad. The purpose of this paper is to compare the MLM and SAND-II methods, taking as an example the processing of measurement data which were obtained in the B-2 beam line at the BR-10 reactor in order to determine the composition of shielding for a fast reactor

  7. A New Approach of Asymmetric Homoclinic and Heteroclinic Orbits Construction in Several Typical Systems Based on the Undetermined Padé Approximation Method

    Directory of Open Access Journals (Sweden)

    Jingjing Feng

    2016-01-01

    Full Text Available In dynamic systems, some nonlinearities generate special connection problems of non-Z2 symmetric homoclinic and heteroclinic orbits. Such orbits are important for analyzing problems of global bifurcation and chaos. In this paper, a general analytical method, based on the undetermined Padé approximation method, is proposed to construct non-Z2 symmetric homoclinic and heteroclinic orbits which are affected by nonlinearity factors. Geometric and symmetrical characteristics of non-Z2 heteroclinic orbits are analyzed in detail. An undetermined frequency coefficient and a corresponding new analytic expression are introduced to improve the accuracy of the orbit trajectory. The proposed method shows high precision results for the Nagumo system (one single orbit; general types of non-Z2 symmetric nonlinear quintic systems (orbit with one cusp; and Z2 symmetric system with high-order nonlinear terms (orbit with two cusps. Finally, numerical simulations are used to verify the techniques and demonstrate the enhanced efficiency and precision of the proposed method.

  8. Approximate Bayesian computation.

    Directory of Open Access Journals (Sweden)

    Mikael Sunnåker

    Full Text Available Approximate Bayesian computation (ABC constitutes a class of computational methods rooted in Bayesian statistics. In all model-based statistical inference, the likelihood function is of central importance, since it expresses the probability of the observed data under a particular statistical model, and thus quantifies the support data lend to particular values of parameters and to choices among different models. For simple models, an analytical formula for the likelihood function can typically be derived. However, for more complex models, an analytical formula might be elusive or the likelihood function might be computationally very costly to evaluate. ABC methods bypass the evaluation of the likelihood function. In this way, ABC methods widen the realm of models for which statistical inference can be considered. ABC methods are mathematically well-founded, but they inevitably make assumptions and approximations whose impact needs to be carefully assessed. Furthermore, the wider application domain of ABC exacerbates the challenges of parameter estimation and model selection. ABC has rapidly gained popularity over the last years and in particular for the analysis of complex problems arising in biological sciences (e.g., in population genetics, ecology, epidemiology, and systems biology.

  9. Theoretical Study of Local Surface Plasmon Resonances on a Dielectric-Ag Core-Shell Nanosphere Using the Discrete-Dipole Approximation Method

    International Nuclear Information System (INIS)

    Ma Ye-Wan; Wu Zhao-Wang; Zhang Li-Hua; Liu Wan-Fang; Zhang Jie

    2015-01-01

    The local surface plasmon resonances (LSPRs) of dielectric-Ag core-shell nanospheres are studied by the discretedipole approximation method. The result shows that LSPRs are sensitive to the surrounding medium refractive index, which shows a clear red-shift with the increasing surrounding medium refractive index. A dielectric-Ag core-shell nanosphere exhibits a strong coupling between the core and shell plasmon resonance modes. LSPRs depend on the shell thickness and the composition of dielectric-core and metal-shell. LSPRs can be tuned over a longer wavelength range by changing the ratio of core to shell value. The lower energy mode ω_− shows a red-shift with the increasing dielectric-core value and the inner core radius, while blue-shifted with the increasing outer shell thickness. The underlying mechanisms are analyzed with the plasmon hybridization theory and the phase retardation effect. (paper)

  10. Quasi-homogenous approximation for description of the properties of dispersed systems. The basic approaches to model hardening processes in nanodispersed silica systems. Part 1. Statical polymer method

    Directory of Open Access Journals (Sweden)

    KUDRYAVTSEV Pavel Gennadievich

    2015-02-01

    Full Text Available The paper deals with possibilities to use quasi-homogenous approximation for discription of properties of dispersed systems. The authors applied statistical polymer method based on consideration of average structures of all possible macromolecules of the same weight. The equiations which allow evaluating many additive parameters of macromolecules and the systems with them were deduced. Statistical polymer method makes it possible to model branched, cross-linked macromolecules and the systems with them which are in equilibrium or non-equilibrium state. Fractal analysis of statistical polymer allows modeling different types of random fractal and other objects examined with the mehods of fractal theory. The method of fractal polymer can be also applied not only to polymers but also to composites, gels, associates in polar liquids and other packaged systems. There is also a description of the states of colloid solutions of silica oxide from the point of view of statistical physics. This approach is based on the idea that colloid solution of silica dioxide – sol of silica dioxide – consists of enormous number of interacting particles which are always in move. The paper is devoted to the research of ideal system of colliding but not interacting particles of sol. The analysis of behavior of silica sol was performed according to distribution Maxwell-Boltzmann and free path length was calculated. Using this data the number of the particles which can overcome the potential barrier in collision was calculated. To model kinetics of sol-gel transition different approaches were studied.

  11. Extraction Method of Driver’s Mental Component Based on Empirical Mode Decomposition and Approximate Entropy Statistic Characteristic in Vehicle Running State

    Directory of Open Access Journals (Sweden)

    Shuan-Feng Zhao

    2017-01-01

    Full Text Available In the driver fatigue monitoring technology, the essence is to capture and analyze the driver behavior information, such as eyes, face, heart, and EEG activity during driving. However, ECG and EEG monitoring are limited by the installation electrodes and are not commercially available. The most common fatigue detection method is the analysis of driver behavior, that is, to determine whether the driver is tired by recording and analyzing the behavior characteristics of steering wheel and brake. The driver usually adjusts his or her actions based on the observed road conditions. Obviously the road path information is directly contained in the vehicle driving state; if you want to judge the driver’s driving behavior by vehicle driving status information, the first task is to remove the road information from the vehicle driving state data. Therefore, this paper proposes an effective intrinsic mode function selection method for the approximate entropy of empirical mode decomposition considering the characteristics of the frequency distribution of road and vehicle information and the unsteady and nonlinear characteristics of the driver closed-loop driving system in vehicle driving state data. The objective is to extract the effective component of the driving behavior information and to weaken the road information component. Finally the effectiveness of the proposed method is verified by simulating driving experiments.

  12. Optoelectronic properties of XIn2S4 (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations

    International Nuclear Information System (INIS)

    Yousaf, Masood; Dalhatu, S.A.; Murtaza, G.; Khenata, R.; Sajjad, M.; Musa, A.; Rahnamaye Aliabad, H.A.; Saeed, M.A.

    2015-01-01

    Highlights: • Highly accurate all-electron FP-LAPW+lo method is used. • New physical parameters are reported, important for the fabrication of optoelectronic devices. • A comparative study that involves FP-LAPW+lo method and modified approximations. • Computed band gap values have good agreement with the experimental values. • Optoelectronic results of fundamental importance can be utilized for the fabrication of devices. - Abstract: We report the structural, electronic and optical properties of the thiospinels XIn 2 S 4 (X = Cd, Mg), using highly accurate all-electron full potential linearized augmented plane wave plus local orbital method. In order to calculate the exchange and correlation energies, the method is coupled with modified techniques such as GGA+U and mBJ-GGA, which yield improved results as compared to the previous studies. GGA+SOC approximation is also used for the first time on these compounds to examine the spin orbit coupling effect on the band structure. From the analysis of the structural parameters, robust character is predicted for both materials. Energy band structures profiles are fairly the same for GGA, GGA+SOC, GGA+U and mBJ-GGA, confirming the indirect and direct band gap nature of CdIn 2 S 4 and MgIn 2 S 4 materials, respectively. We report the trend of band gap results as: (mBJ-GGA) > (GGA+U) > (GGA) > (GGA+SOC). Localized regions appearing in the valence bands for CdIn 2 S 4 tend to split up nearly by ≈1 eV in the case of GGA+SOC. Many new physical parameters are reported that can be important for the fabrication of optoelectronic devices. Optical spectra namely, dielectric function (DF), refractive index n(ω), extinction coefficient k(ω), reflectivity R(ω), optical conductivity σ(ω), absorption coefficient α(ω) and electron loss function are discussed. Optical’s absorption edge is noted to be 1.401 and 1.782 for CdIn 2 S 4 and MgIn 2 S 4 , respectively. The prominent peaks in the electron energy spectrum

  13. Fuel penetration of intersubassembly gaps in LMFBRs: a calculational method with the SIMMER-II code

    International Nuclear Information System (INIS)

    DeVault, G.P.

    1983-01-01

    Early fuel removal from the active core of a liquid-metal-cooled fast breeder reactor (LMFBR) undergoing a core-disruptive accident may reduce the potential for large energetics resulting from recriticalities. A possible avenue for early fuel removal in heterogeneous core LMFBRs is the failure of duct walls in disrupted driver subassemblies followed by fuel penetration into the gaps between blanket subassemblies. The SIMMER-II code was modified to simulate flow between subassembly gaps. Calculations with the modified SIMMER-II code indicate the capabilities of the method and the potential for fuel mass reduction in the active core

  14. Improved methods for predicting peptide binding affinity to MHC class II molecules.

    Science.gov (United States)

    Jensen, Kamilla Kjaergaard; Andreatta, Massimo; Marcatili, Paolo; Buus, Søren; Greenbaum, Jason A; Yan, Zhen; Sette, Alessandro; Peters, Bjoern; Nielsen, Morten

    2018-01-06

    Major histocompatibility complex class II (MHC-II) molecules are expressed on the surface of professional antigen-presenting cells where they display peptides to T helper cells, which orchestrate the onset and outcome of many host immune responses. Understanding which peptides will be presented by the MHC-II molecule is therefore important for understanding the activation of T helper cells and can be used to identify T-cell epitopes. We here present updated versions of two MHC-II-peptide binding affinity prediction methods, NetMHCII and NetMHCIIpan. These were constructed using an extended data set of quantitative MHC-peptide binding affinity data obtained from the Immune Epitope Database covering HLA-DR, HLA-DQ, HLA-DP and H-2 mouse molecules. We show that training with this extended data set improved the performance for peptide binding predictions for both methods. Both methods are publicly available at www.cbs.dtu.dk/services/NetMHCII-2.3 and www.cbs.dtu.dk/services/NetMHCIIpan-3.2. © 2018 John Wiley & Sons Ltd.

  15. Resistance Torque Based Variable Duty-Cycle Control Method for a Stage II Compressor

    Science.gov (United States)

    Zhong, Meipeng; Zheng, Shuiying

    2017-07-01

    The resistance torque of a piston stage II compressor generates strenuous fluctuations in a rotational period, and this can lead to negative influences on the working performance of the compressor. To restrain the strenuous fluctuations in the piston stage II compressor, a variable duty-cycle control method based on the resistance torque is proposed. A dynamic model of a stage II compressor is set up, and the resistance torque and other characteristic parameters are acquired as the control targets. Then, a variable duty-cycle control method is applied to track the resistance torque, thereby improving the working performance of the compressor. Simulated results show that the compressor, driven by the proposed method, requires lower current, while the rotating speed and the output torque remain comparable to the traditional variable-frequency control methods. A variable duty-cycle control system is developed, and the experimental results prove that the proposed method can help reduce the specific power, input power, and working noise of the compressor to 0.97 kW·m-3·min-1, 0.09 kW and 3.10 dB, respectively, under the same conditions of discharge pressure of 2.00 MPa and a discharge volume of 0.095 m3/min. The proposed variable duty-cycle control method tracks the resistance torque dynamically, and improves the working performance of a Stage II Compressor. The proposed variable duty-cycle control method can be applied to other compressors, and can provide theoretical guidance for the compressor.

  16. The CRF-method for semiconductors' intravalley collision kernels: II – The 3D case

    Directory of Open Access Journals (Sweden)

    Claudio Barone

    1993-05-01

    Full Text Available If the collisions are redefined as a flux a kinetic conservation law can be written in divergence form. This can be handled numerically, in the framework of Finite Particle Approximation, using the CRF-method. In this paper we use the CRF-method for semiconductors' intravalley collision kernels. We extend the results obtained in a previous paper to the case of a 3D momentum space.

  17. Handbook for quick cost estimates. A method for developing quick approximate estimates of costs for generic actions for nuclear power plants

    International Nuclear Information System (INIS)

    Ball, J.R.

    1986-04-01

    This document is a supplement to a ''Handbook for Cost Estimating'' (NUREG/CR-3971) and provides specific guidance for developing ''quick'' approximate estimates of the cost of implementing generic regulatory requirements for nuclear power plants. A method is presented for relating the known construction costs for new nuclear power plants (as contained in the Energy Economic Data Base) to the cost of performing similar work, on a back-fit basis, at existing plants. Cost factors are presented to account for variations in such important cost areas as construction labor productivity, engineering and quality assurance, replacement energy, reworking of existing features, and regional variations in the cost of materials and labor. Other cost categories addressed in this handbook include those for changes in plant operating personnel and plant documents, licensee costs, NRC costs, and costs for other government agencies. Data sheets, worksheets, and appropriate cost algorithms are included to guide the user through preparation of rough estimates. A sample estimate is prepared using the method and the estimating tools provided

  18. Multicritical phase diagrams of the Blume-Emery-Griffiths model with repulsive biquadratic coupling including metastable phases: the pair approximation and the path probability method with pair distribution

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Erdinc, Ahmet

    2004-01-01

    As a continuation of the previously published work, the pair approximation of the cluster variation method is applied to study the temperature dependences of the order parameters of the Blume-Emery-Griffiths model with repulsive biquadratic coupling on a body centered cubic lattice. We obtain metastable and unstable branches of the order parameters besides the stable branches and phase transitions of these branches are investigated extensively. We study the dynamics of the model by the path probability method with pair distribution in order to make sure that we find and define the metastable and unstable branches of the order parameters completely and correctly. We present the metastable phase diagram in addition to the equilibrium phase diagram and also the first-order phase transition line for the unstable branches of the quadrupole order parameter is superimposed on the phase diagrams. It is found that the metastable phase diagram and the first-order phase boundary for the unstable quadrupole order parameter always exist at the low temperatures which are consistent with experimental and theoretical works

  19. Handbook for quick cost estimates. A method for developing quick approximate estimates of costs for generic actions for nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Ball, J.R.

    1986-04-01

    This document is a supplement to a ''Handbook for Cost Estimating'' (NUREG/CR-3971) and provides specific guidance for developing ''quick'' approximate estimates of the cost of implementing generic regulatory requirements for nuclear power plants. A method is presented for relating the known construction costs for new nuclear power plants (as contained in the Energy Economic Data Base) to the cost of performing similar work, on a back-fit basis, at existing plants. Cost factors are presented to account for variations in such important cost areas as construction labor productivity, engineering and quality assurance, replacement energy, reworking of existing features, and regional variations in the cost of materials and labor. Other cost categories addressed in this handbook include those for changes in plant operating personnel and plant documents, licensee costs, NRC costs, and costs for other government agencies. Data sheets, worksheets, and appropriate cost algorithms are included to guide the user through preparation of rough estimates. A sample estimate is prepared using the method and the estimating tools provided.

  20. A Newton-Krylov method with an approximate analytical Jacobian for implicit solution of Navier-Stokes equations on staggered overset-curvilinear grids with immersed boundaries.

    Science.gov (United States)

    Asgharzadeh, Hafez; Borazjani, Iman

    2017-02-15

    diagonal of the Jacobian further improves the performance by 42 - 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80-90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future.

  1. A Newton–Krylov method with an approximate analytical Jacobian for implicit solution of Navier–Stokes equations on staggered overset-curvilinear grids with immersed boundaries

    Science.gov (United States)

    Asgharzadeh, Hafez; Borazjani, Iman

    2016-01-01

    diagonal of the Jacobian further improves the performance by 42 – 74% compared to the full Jacobian. The NKM with an analytical Jacobian showed better performance than the fixed point Runge-Kutta because it converged with higher time steps and in approximately 30% less iterations even when the grid was stretched and the Reynold number was increased. In fact, stretching the grid decreased the performance of all methods, but the fixed-point Runge-Kutta performance decreased 4.57 and 2.26 times more than NKM with a diagonal Jacobian when the stretching factor was increased, respectively. The NKM with a diagonal analytical Jacobian and matrix-free method with an analytical preconditioner are the fastest methods and the superiority of one to another depends on the flow problem. Furthermore, the implemented methods are fully parallelized with parallel efficiency of 80–90% on the problems tested. The NKM with the analytical Jacobian can guide building preconditioners for other techniques to improve their performance in the future. PMID:28042172

  2. FREEZING AND THAWING TIME PREDICTION METHODS OF FOODS II: NUMARICAL METHODS

    Directory of Open Access Journals (Sweden)

    Yahya TÜLEK

    1999-03-01

    Full Text Available Freezing is one of the excellent methods for the preservation of foods. If freezing and thawing processes and frozen storage method are carried out correctly, the original characteristics of the foods can remain almost unchanged over an extended periods of time. It is very important to determine the freezing and thawing time period of the foods, as they strongly influence the both quality of food material and process productivity and the economy. For developing a simple and effectively usable mathematical model, less amount of process parameters and physical properties should be enrolled in calculations. But it is a difficult to have all of these in one prediction method. For this reason, various freezing and thawing time prediction methods were proposed in literature and research studies have been going on.

  3. Development of a benchtop baking method for chemically leavened crackers. II. Validation of the method

    Science.gov (United States)

    A benchtop baking method has been developed to predict the contribution of gluten functionality to overall flour performance for chemically leavened crackers. Using a diagnostic formula and procedure, dough rheology was analyzed to evaluate the extent of gluten development during mixing and machinin...

  4. A method for the determination of ascorbic acid using the iron(II)-pyridine-dimethylglyoxime complex

    International Nuclear Information System (INIS)

    Arya, S. P.; Mahajan, M.

    1998-01-01

    A simple and rapid spectrophotometric method for the determination of ascorbic acid is proposed. Ascorbic acid reduces iron (III) to iron (II) which forms a red colored complex with dimethylglyoxime in the presence of pyridine. The absorbance of the resulting solution is measured at 514 nm and a linear relationship between absorbance and concentration of ascorbic acid is observed up to 14 μg ml -1 . Studies on the interference of substances usually associated with ascorbic acid have been carried out and the applicability of the method has been tested by analysing pharmaceutical preparations of vitamin C [it

  5. Spectral methods for study of the G-protein-coupled receptor rhodopsin. II. Magnetic resonance methods

    Science.gov (United States)

    Struts, A. V.; Barmasov, A. V.; Brown, M. F.

    2016-02-01

    This article continues our review of spectroscopic studies of G-protein-coupled receptors. Magnetic resonance methods including electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) provide specific structural and dynamical data for the protein in conjunction with optical methods (vibrational, electronic spectroscopy) as discussed in the accompanying article. An additional advantage is the opportunity to explore the receptor proteins in the natural membrane lipid environment. Solid-state 2H and 13C NMR methods yield information about both the local structure and dynamics of the cofactor bound to the protein and its light-induced changes. Complementary site-directed spin-labeling studies monitor the structural alterations over larger distances and correspondingly longer time scales. A multiscale reaction mechanism describes how local changes of the retinal cofactor unlock the receptor to initiate large-scale conformational changes of rhodopsin. Activation of the G-protein-coupled receptor involves an ensemble of conformational substates within the rhodopsin manifold that characterize the dynamically active receptor.

  6. ABOUT SOLUTION OF MULTIPOINT BOUNDARY PROBLEMS OF TWO-DIMENSIONAL STRUCTURAL ANALYSIS WITH THE USE OF COMBINED APPLICATION OF FINITE ELEMENT METHOD AND DISCRETE-CONTINUAL FINITE ELEMENT METHOD PART 2: SPECIAL ASPECTS OF FINITE ELEMENT APPROXIMATION

    Directory of Open Access Journals (Sweden)

    Pavel A. Akimov

    2017-12-01

    Full Text Available As is well known, the formulation of a multipoint boundary problem involves three main components: a description of the domain occupied by the structure and the corresponding subdomains; description of the conditions inside the domain and inside the corresponding subdomains, the description of the conditions on the boundary of the domain, conditions on the boundaries between subdomains. This paper is a continuation of another work published earlier, in which the formulation and general principles of the approximation of the multipoint boundary problem of a static analysis of deep beam on the basis of the joint application of the finite element method and the discrete-continual finite element method were considered. It should be noted that the approximation within the fragments of a domain that have regular physical-geometric parameters along one of the directions is expedient to be carried out on the basis of the discrete-continual finite element method (DCFEM, and for the approximation of all other fragments it is necessary to use the standard finite element method (FEM. In the present publication, the formulas for the computing of displacements partial derivatives of displacements, strains and stresses within the finite element model (both within the finite element and the corresponding nodal values (with the use of averaging are presented. Boundary conditions between subdomains (respectively, discrete models and discrete-continual models and typical conditions such as “hinged support”, “free edge”, “perfect contact” (twelve basic (basic variants are available are under consideration as well. Governing formulas for computing of elements of the corresponding matrices of coefficients and vectors of the right-hand sides are given for each variant. All formulas are fully adapted for algorithmic implementation.

  7. Automatic recognition of coronal type II radio bursts: The ARBIS 2 method and first observations

    Science.gov (United States)

    Lobzin, Vasili; Cairns, Iver; Robinson, Peter; Steward, Graham; Patterson, Garth

    Major space weather events such as solar flares and coronal mass ejections are usually accompa-nied by solar radio bursts, which can potentially be used for real-time space weather forecasts. Type II radio bursts are produced near the local plasma frequency and its harmonic by fast electrons accelerated by a shock wave moving through the corona and solar wind with a typi-cal speed of 1000 km s-1 . The coronal bursts have dynamic spectra with frequency gradually falling with time and durations of several minutes. We present a new method developed to de-tect type II coronal radio bursts automatically and describe its implementation in an extended Automated Radio Burst Identification System (ARBIS 2). Preliminary tests of the method with spectra obtained in 2002 show that the performance of the current implementation is quite high, ˜ 80%, while the probability of false positives is reasonably low, with one false positive per 100-200 hr for high solar activity and less than one false event per 10000 hr for low solar activity periods. The first automatically detected coronal type II radio bursts are also presented. ARBIS 2 is now operational with IPS Radio and Space Services, providing email alerts and event lists internationally.

  8. Approximate Dynamic Programming: Combining Regional and Local State Following Approximations.

    Science.gov (United States)

    Deptula, Patryk; Rosenfeld, Joel A; Kamalapurkar, Rushikesh; Dixon, Warren E

    2018-06-01

    An infinite-horizon optimal regulation problem for a control-affine deterministic system is solved online using a local state following (StaF) kernel and a regional model-based reinforcement learning (R-MBRL) method to approximate the value function. Unlike traditional methods such as R-MBRL that aim to approximate the value function over a large compact set, the StaF kernel approach aims to approximate the value function in a local neighborhood of the state that travels within a compact set. In this paper, the value function is approximated using a state-dependent convex combination of the StaF-based and the R-MBRL-based approximations. As the state enters a neighborhood containing the origin, the value function transitions from being approximated by the StaF approach to the R-MBRL approach. Semiglobal uniformly ultimately bounded (SGUUB) convergence of the system states to the origin is established using a Lyapunov-based analysis. Simulation results are provided for two, three, six, and ten-state dynamical systems to demonstrate the scalability and performance of the developed method.

  9. Approximate symmetries of Hamiltonians

    Science.gov (United States)

    Chubb, Christopher T.; Flammia, Steven T.

    2017-08-01

    We explore the relationship between approximate symmetries of a gapped Hamiltonian and the structure of its ground space. We start by considering approximate symmetry operators, defined as unitary operators whose commutators with the Hamiltonian have norms that are sufficiently small. We show that when approximate symmetry operators can be restricted to the ground space while approximately preserving certain mutual commutation relations. We generalize the Stone-von Neumann theorem to matrices that approximately satisfy the canonical (Heisenberg-Weyl-type) commutation relations and use this to show that approximate symmetry operators can certify the degeneracy of the ground space even though they only approximately form a group. Importantly, the notions of "approximate" and "small" are all independent of the dimension of the ambient Hilbert space and depend only on the degeneracy in the ground space. Our analysis additionally holds for any gapped band of sufficiently small width in the excited spectrum of the Hamiltonian, and we discuss applications of these ideas to topological quantum phases of matter and topological quantum error correcting codes. Finally, in our analysis, we also provide an exponential improvement upon bounds concerning the existence of shared approximate eigenvectors of approximately commuting operators under an added normality constraint, which may be of independent interest.

  10. An alternative method for determination of oscillator strengths: The example of Sc II

    International Nuclear Information System (INIS)

    Ruczkowski, J.; Elantkowska, M.; Dembczyński, J.

    2014-01-01

    We describe our method for determining oscillator strengths and hyperfine structure splittings that is an alternative to the commonly used, purely theoretical calculations, or to the semi-empirical approach combined with theoretically calculated transition integrals. We have developed our own computer programs that allow us to determine all attributes of the structure of complex atoms starting from the measured frequencies emitted by the atoms. As an example, we present the results of the calculation of the structure, electric dipole transitions, and hyperfine splittings of Sc II. The angular coefficients of the transition matrix in pure SL coupling were found from straightforward Racah algebra. The transition matrix was transformed into the actual intermediate coupling by the fine structure eigenvectors obtained from the semi-empirical approach. The transition integrals were treated as free parameters in the least squares fit to experimental gf values. For most transitions, the experimental and the calculated gf-values are consistent with the accuracy claimed in the NIST compilation. - Highlights: • The method of simultaneous determination of all the attributes of atomic structure. • The semi-empirical method of parameterization of oscillator strengths. • Illustration of the method application for the example of Sc II data

  11. A new method for designing dual foil electron beam forming systems. II. Feasibility of practical implementation of the method

    International Nuclear Information System (INIS)

    Adrich, Przemysław

    2016-01-01

    In Part I of this work a new method for designing dual foil electron beam forming systems was introduced. In this method, an optimal configuration of the dual foil system is found by means of a systematic, automatized scan of system performance in function of its parameters. At each point of the scan, Monte Carlo method is used to calculate the off-axis dose profile in water taking into account detailed and complete geometry of the system. The new method, while being computationally intensive, minimizes the involvement of the designer. In this Part II paper, feasibility of practical implementation of the new method is demonstrated. For this, a prototype software tools were developed and applied to solve a real life design problem. It is demonstrated that system optimization can be completed within few hours time using rather moderate computing resources. It is also demonstrated that, perhaps for the first time, the designer can gain deep insight into system behavior, such that the construction can be simultaneously optimized in respect to a number of functional characteristics besides the flatness of the off-axis dose profile. In the presented example, the system is optimized in respect to both, flatness of the off-axis dose profile and the beam transmission. A number of practical issues related to application of the new method as well as its possible extensions are discussed.

  12. Value Function Approximation or Stopping Time Approximation

    DEFF Research Database (Denmark)

    Stentoft, Lars

    2014-01-01

    In their 2001 paper, Longstaff and Schwartz suggested a method for American option pricing using simulation and regression, and since then this method has rapidly gained importance. However, the idea of using regression and simulation for American option pricing was used at least as early as 1996......, due to this difference, it is possible to provide arguments favoring the method of Longstaff and Schwartz. Finally, we compare the methods in a realistic numerical setting and show that practitioners would do well to choose the method of Longstaff and Schwartz instead of the methods of Carriere...

  13. CONTRIBUTIONS TO RATIONAL APPROXIMATION,

    Science.gov (United States)

    Some of the key results of linear Chebyshev approximation theory are extended to generalized rational functions. Prominent among these is Haar’s...linear theorem which yields necessary and sufficient conditions for uniqueness. Some new results in the classic field of rational function Chebyshev...Furthermore a Weierstrass type theorem is proven for rational Chebyshev approximation. A characterization theorem for rational trigonometric Chebyshev approximation in terms of sign alternation is developed. (Author)

  14. Approximation techniques for engineers

    CERN Document Server

    Komzsik, Louis

    2006-01-01

    Presenting numerous examples, algorithms, and industrial applications, Approximation Techniques for Engineers is your complete guide to the major techniques used in modern engineering practice. Whether you need approximations for discrete data of continuous functions, or you''re looking for approximate solutions to engineering problems, everything you need is nestled between the covers of this book. Now you can benefit from Louis Komzsik''s years of industrial experience to gain a working knowledge of a vast array of approximation techniques through this complete and self-contained resource.

  15. Approximation of Surfaces by Cylinders

    DEFF Research Database (Denmark)

    Randrup, Thomas

    1998-01-01

    We present a new method for approximation of a given surface by a cylinder surface. It is a constructive geometric method, leading to a monorail representation of the cylinder surface. By use of a weighted Gaussian image of the given surface, we determine a projection plane. In the orthogonal...

  16. Prioritizing sewer rehabilitation projects using AHP-PROMETHEE II ranking method.

    Science.gov (United States)

    Kessili, Abdelhak; Benmamar, Saadia

    2016-01-01

    The aim of this paper is to develop a methodology for the prioritization of sewer rehabilitation projects for Algiers (Algeria) sewer networks to support the National Sanitation Office in its challenge to make decisions on prioritization of sewer rehabilitation projects. The methodology applies multiple-criteria decision making. The study includes 47 projects (collectors) and 12 criteria to evaluate them. These criteria represent the different issues considered in the prioritization of the projects, which are structural, hydraulic, environmental, financial, social and technical. The analytic hierarchy process (AHP) is used to determine weights of the criteria and the Preference Ranking Organization Method for Enrichment Evaluations (PROMETHEE II) method is used to obtain the final ranking of the projects. The model was verified using the sewer data of Algiers. The results have shown that the method can be used for prioritizing sewer rehabilitation projects.

  17. Methods of Celestial Mechanics Volume II: Application to Planetary System, Geodynamics and Satellite Geodesy

    CERN Document Server

    Beutler, Gerhard

    2005-01-01

    G. Beutler's Methods of Celestial Mechanics is a coherent textbook for students as well as an excellent reference for practitioners. Volume II is devoted to the applications and to the presentation of the program system CelestialMechanics. Three major areas of applications are covered: (1) Orbital and rotational motion of extended celestial bodies. The properties of the Earth-Moon system are developed from the simplest case (rigid bodies) to more general cases, including the rotation of an elastic Earth, the rotation of an Earth partly covered by oceans and surrounded by an atmosphere, and the rotation of an Earth composed of a liquid core and a rigid shell (Poincaré model). (2) Artificial Earth Satellites. The oblateness perturbation acting on a satellite and the exploitation of its properties in practice is discussed using simulation methods (CelestialMechanics) and (simplified) first order perturbation methods. The perturbations due to the higher-order terms of the Earth's gravitational potential and reso...

  18. 26 CFR 1.985-6 - Transition rules for a QBU that uses the dollar approximate separate transactions method for its...

    Science.gov (United States)

    2010-04-01

    ... section sets forth transition rules for a QBU that used the dollar approximate separate transactions... QBU must determine the dollar and hyperinflationary currency basis of its assets and the dollar and hyperinflationary currency amount of its liabilities that were acquired or incurred in taxable years beginning...

  19. Spectrophotometric Determination of Iron(II and Cobalt(II by Direct, Derivative, and Simultaneous Methods Using 2-Hydroxy-1-Naphthaldehyde-p-Hydroxybenzoichydrazone

    Directory of Open Access Journals (Sweden)

    V. S. Anusuya Devi

    2012-01-01

    Full Text Available Optimized and validated spectrophotometric methods have been proposed for the determination of iron and cobalt individually and simultaneously. 2-hydroxy-1-naphthaldehyde-p-hydroxybenzoichydrazone (HNAHBH reacts with iron(II and cobalt(II to form reddish-brown and yellow-coloured [Fe(II-HNAHBH] and [Co(II-HNAHBH] complexes, respectively. The maximum absorbance of these complexes was found at 405 nm and 425 nm, respectively. For [Fe(II-HNAHBH], Beer’s law is obeyed over the concentration range of 0.055–1.373 μg mL−1 with a detection limit of 0.095 μg mL−1 and molar absorptivity ɛ, 5.6 × 104 L mol−1 cm−1. [Co(II-HNAHBH] complex obeys Beer’s law in 0.118–3.534 μg mL−1 range with a detection limit of 0.04 μg mL−1 and molar absorptivity, ɛ of 2.3 × 104 L mol−1 cm−1. Highly sensitive and selective first-, second- and third-order derivative methods are described for the determination of iron and cobalt. A simultaneous second-order derivative spectrophotometric method is proposed for the determination of these metals. All the proposed methods are successfully employed in the analysis of various biological, water, and alloy samples for the determination of iron and cobalt content.

  20. Expectation Consistent Approximate Inference

    DEFF Research Database (Denmark)

    Opper, Manfred; Winther, Ole

    2005-01-01

    We propose a novel framework for approximations to intractable probabilistic models which is based on a free energy formulation. The approximation can be understood from replacing an average over the original intractable distribution with a tractable one. It requires two tractable probability dis...

  1. Ionophoretic method in the study of mixed ligand ternary chelates of UO2(II), Ni(II) and Zn(II) involving nitrilotriacetate and cytosine as ligands

    International Nuclear Information System (INIS)

    Mishra, A.P.; Mishra, S.K.; Yadava, K.L.

    1987-01-01

    A novel electrophoretic technique is described for the assessment of the equilibria in mixed-ligand complex system in solution. It is based on the movement of spot of the metal ion under an electric field with the complexants added in the background electrolyte at fixed pH. The concentration of primary ligand nitrilotriacetate was constant while that of secondary ligand (cytosine) was varied. The plot of log (cytosine) against mobility was used to obtain information on the formation of the mixed complexes and to calculate its stability constants. Experimentally obtained logK values are as 5.62, 4.55 and 4.42 for mixed complexes of UO 2 (II), Ni(II) and Zn(II) respectively at μ=0.1 and temp.=35 +- 01.degC. (author). 10 refs

  2. Approximate quantum Markov chains

    CERN Document Server

    Sutter, David

    2018-01-01

    This book is an introduction to quantum Markov chains and explains how this concept is connected to the question of how well a lost quantum mechanical system can be recovered from a correlated subsystem. To achieve this goal, we strengthen the data-processing inequality such that it reveals a statement about the reconstruction of lost information. The main difficulty in order to understand the behavior of quantum Markov chains arises from the fact that quantum mechanical operators do not commute in general. As a result we start by explaining two techniques of how to deal with non-commuting matrices: the spectral pinching method and complex interpolation theory. Once the reader is familiar with these techniques a novel inequality is presented that extends the celebrated Golden-Thompson inequality to arbitrarily many matrices. This inequality is the key ingredient in understanding approximate quantum Markov chains and it answers a question from matrix analysis that was open since 1973, i.e., if Lieb's triple ma...

  3. Multidimensional radiative transfer with multilevel atoms. II. The non-linear multigrid method.

    Science.gov (United States)

    Fabiani Bendicho, P.; Trujillo Bueno, J.; Auer, L.

    1997-08-01

    A new iterative method for solving non-LTE multilevel radiative transfer (RT) problems in 1D, 2D or 3D geometries is presented. The scheme obtains the self-consistent solution of the kinetic and RT equations at the cost of only a few (iteration (Brandt, 1977, Math. Comp. 31, 333; Hackbush, 1985, Multi-Grid Methods and Applications, springer-Verlag, Berlin), an efficient multilevel RT scheme based on Gauss-Seidel iterations (cf. Trujillo Bueno & Fabiani Bendicho, 1995ApJ...455..646T), and accurate short-characteristics formal solution techniques. By combining a valid stopping criterion with a nested-grid strategy a converged solution with the desired true error is automatically guaranteed. Contrary to the current operator splitting methods the very high convergence speed of the new RT method does not deteriorate when the grid spatial resolution is increased. With this non-linear multigrid method non-LTE problems discretized on N grid points are solved in O(N) operations. The nested multigrid RT method presented here is, thus, particularly attractive in complicated multilevel transfer problems where small grid-sizes are required. The properties of the method are analyzed both analytically and with illustrative multilevel calculations for Ca II in 1D and 2D schematic model atmospheres.

  4. Approximate Implicitization Using Linear Algebra

    Directory of Open Access Journals (Sweden)

    Oliver J. D. Barrowclough

    2012-01-01

    Full Text Available We consider a family of algorithms for approximate implicitization of rational parametric curves and surfaces. The main approximation tool in all of the approaches is the singular value decomposition, and they are therefore well suited to floating-point implementation in computer-aided geometric design (CAGD systems. We unify the approaches under the names of commonly known polynomial basis functions and consider various theoretical and practical aspects of the algorithms. We offer new methods for a least squares approach to approximate implicitization using orthogonal polynomials, which tend to be faster and more numerically stable than some existing algorithms. We propose several simple propositions relating the properties of the polynomial bases to their implicit approximation properties.

  5. Weighted approximation with varying weight

    CERN Document Server

    Totik, Vilmos

    1994-01-01

    A new construction is given for approximating a logarithmic potential by a discrete one. This yields a new approach to approximation with weighted polynomials of the form w"n"(" "= uppercase)P"n"(" "= uppercase). The new technique settles several open problems, and it leads to a simple proof for the strong asymptotics on some L p(uppercase) extremal problems on the real line with exponential weights, which, for the case p=2, are equivalent to power- type asymptotics for the leading coefficients of the corresponding orthogonal polynomials. The method is also modified toyield (in a sense) uniformly good approximation on the whole support. This allows one to deduce strong asymptotics in some L p(uppercase) extremal problems with varying weights. Applications are given, relating to fast decreasing polynomials, asymptotic behavior of orthogonal polynomials and multipoint Pade approximation. The approach is potential-theoretic, but the text is self-contained.

  6. A method for the determination of ascorbic acid using the iron(II)-pyridine-dimethylglyoxime complex

    Energy Technology Data Exchange (ETDEWEB)

    Arya, S. P.; Mahajan, M. [Haryana, Kurukshetra Univ. (India). Dept. of Chemistry

    1998-05-01

    A simple and rapid spectrophotometric method for the determination of ascorbic acid is proposed. Ascorbic acid reduces iron (III) to iron (II) which forms a red colored complex with dimethylglyoxime in the presence of pyridine. The absorbance of the resulting solution is measured at 514 nm and a linear relationship between absorbance and concentration of ascorbic acid is observed up to 14 {mu}g ml{sup -1}. Studies on the interference of substances usually associated with ascorbic acid have been carried out and the applicability of the method has been tested by analysing pharmaceutical preparations of vitamin C. [Italiano] Si propone un rapido e semplice metodo spettrofotometrico per la determinazione dell`acido ascorbico. L`acido ascorbico riduce il ferro(III) a ferro(II) che forma con la dimetilgliossima, in presenza di piridina, un complesso colorato in rosso. L`assorbanza della soluzione risultante e` misurata a 514 nm e si ottiene una relazione lineare tra assorbanza e concentrazione dell`acido ascorbico fino a 14 {mu}g ml{sup -1}. Si sono condotti studi sugli interferenti usualmente associati all`acido ascorbico ed e` stata valutata l`applicabilita` del metodo all`analisi di preparati farmaceutici di vitamina C.

  7. Testing the applicability of the k 0-NAA method at the MINT's TRIGA MARK II reactor

    International Nuclear Information System (INIS)

    Siong, Wee Boon; Dung, Ho Manh; Wood, Ab. Khalik; Salim, Nazaratul Ashifa Abd.; Elias, Md. Suhaimi

    2006-01-01

    The Analytical Chemistry Laboratory at MINT is using the NAA technique since 1980s and is the only laboratory in Malaysia equipped with a research reactor, namely the TRIGA MARK II. Throughout the years the development of NAA technique has been very encouraging and was made applicable to a wide range of samples. At present, the k 0 method has become the preferred standardization method of NAA (k 0 -NAA) due to its multi-elemental analysis capability without using standards. Additionally, the k 0 method describes NAA in physically and mathematically understandable definitions and is very suitable for computer evaluation. Eventually, the k 0 -NAA method has been adopted by MINT in 2003, in collaboration with the Nuclear Research Institute (NRI), Vietnam. The reactor neutron parameters (α and f) for the pneumatic transfer system and for the rotary rack at various locations, as well as the detector efficiencies were determined. After calibration of the reactor and the detectors, the implemented k 0 method was validated by analyzing some certified reference materials (including IAEA Soil 7, NIST 1633a, NIST 1632c, NIST 1646a and IAEA 140/TM). The analysis results of the CRMs showed an average u score well below the threshold value of 2 with a precision of better than ±10% for most of the elemental concentrations obtained, validating herewith the introduction of the k 0 -NAA method at the MINT

  8. Testing the applicability of the k0-NAA method at the MINT's TRIGA MARK II reactor

    Science.gov (United States)

    Siong, Wee Boon; Dung, Ho Manh; Wood, Ab. Khalik; Salim, Nazaratul Ashifa Abd.; Elias, Md. Suhaimi

    2006-08-01

    The Analytical Chemistry Laboratory at MINT is using the NAA technique since 1980s and is the only laboratory in Malaysia equipped with a research reactor, namely the TRIGA MARK II. Throughout the years the development of NAA technique has been very encouraging and was made applicable to a wide range of samples. At present, the k0 method has become the preferred standardization method of NAA ( k0-NAA) due to its multi-elemental analysis capability without using standards. Additionally, the k0 method describes NAA in physically and mathematically understandable definitions and is very suitable for computer evaluation. Eventually, the k0-NAA method has been adopted by MINT in 2003, in collaboration with the Nuclear Research Institute (NRI), Vietnam. The reactor neutron parameters ( α and f) for the pneumatic transfer system and for the rotary rack at various locations, as well as the detector efficiencies were determined. After calibration of the reactor and the detectors, the implemented k0 method was validated by analyzing some certified reference materials (including IAEA Soil 7, NIST 1633a, NIST 1632c, NIST 1646a and IAEA 140/TM). The analysis results of the CRMs showed an average u score well below the threshold value of 2 with a precision of better than ±10% for most of the elemental concentrations obtained, validating herewith the introduction of the k0-NAA method at the MINT.

  9. Approximations of Fuzzy Systems

    Directory of Open Access Journals (Sweden)

    Vinai K. Singh

    2013-03-01

    Full Text Available A fuzzy system can uniformly approximate any real continuous function on a compact domain to any degree of accuracy. Such results can be viewed as an existence of optimal fuzzy systems. Li-Xin Wang discussed a similar problem using Gaussian membership function and Stone-Weierstrass Theorem. He established that fuzzy systems, with product inference, centroid defuzzification and Gaussian functions are capable of approximating any real continuous function on a compact set to arbitrary accuracy. In this paper we study a similar approximation problem by using exponential membership functions

  10. General Rytov approximation.

    Science.gov (United States)

    Potvin, Guy

    2015-10-01

    We examine how the Rytov approximation describing log-amplitude and phase fluctuations of a wave propagating through weak uniform turbulence can be generalized to the case of turbulence with a large-scale nonuniform component. We show how the large-scale refractive index field creates Fermat rays using the path integral formulation for paraxial propagation. We then show how the second-order derivatives of the Fermat ray action affect the Rytov approximation, and we discuss how a numerical algorithm would model the general Rytov approximation.

  11. The methods for generating tomographic images using transmition, emission and nuclear magnetic resonance techniques. II. Fourier method and iterative methods

    International Nuclear Information System (INIS)

    Ursu, I.; Demco, D.E.; Gligor, T.D.; Pop, G.; Dollinger, R.

    1987-01-01

    In a wide variety of applications it is necessary to infer the structure of a multidimensional object from a set of its projections. Computed tomography is at present largely extended in the medical field, but the industrial application may ultimately far exceed its medical applications. Two techniques for reconstructing objects from their projections are presented: Fourier methods and iterative techniques. The paper also contains a brief comparative study of the reconstruction algorithms. (authors)

  12. Geometric approximation algorithms

    CERN Document Server

    Har-Peled, Sariel

    2011-01-01

    Exact algorithms for dealing with geometric objects are complicated, hard to implement in practice, and slow. Over the last 20 years a theory of geometric approximation algorithms has emerged. These algorithms tend to be simple, fast, and more robust than their exact counterparts. This book is the first to cover geometric approximation algorithms in detail. In addition, more traditional computational geometry techniques that are widely used in developing such algorithms, like sampling, linear programming, etc., are also surveyed. Other topics covered include approximate nearest-neighbor search, shape approximation, coresets, dimension reduction, and embeddings. The topics covered are relatively independent and are supplemented by exercises. Close to 200 color figures are included in the text to illustrate proofs and ideas.

  13. INTOR cost approximation

    International Nuclear Information System (INIS)

    Knobloch, A.F.

    1980-01-01

    A simplified cost approximation for INTOR parameter sets in a narrow parameter range is shown. Plausible constraints permit the evaluation of the consequences of parameter variations on overall cost. (orig.) [de

  14. Approximation and Computation

    CERN Document Server

    Gautschi, Walter; Rassias, Themistocles M

    2011-01-01

    Approximation theory and numerical analysis are central to the creation of accurate computer simulations and mathematical models. Research in these areas can influence the computational techniques used in a variety of mathematical and computational sciences. This collection of contributed chapters, dedicated to renowned mathematician Gradimir V. Milovanovia, represent the recent work of experts in the fields of approximation theory and numerical analysis. These invited contributions describe new trends in these important areas of research including theoretic developments, new computational alg

  15. Mixed-hybrid finite element method for the transport equation and diffusion approximation of transport problems; Resolution de l'equation du transport par une methode d'elements finis mixtes-hybrides et approximation par la diffusion de problemes de transport

    Energy Technology Data Exchange (ETDEWEB)

    Cartier, J

    2006-04-15

    This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)

  16. Mixed-hybrid finite element method for the transport equation and diffusion approximation of transport problems; Resolution de l'equation du transport par une methode d'elements finis mixtes-hybrides et approximation par la diffusion de problemes de transport

    Energy Technology Data Exchange (ETDEWEB)

    Cartier, J

    2006-04-15

    This thesis focuses on mathematical analysis, numerical resolution and modelling of the transport equations. First of all, we deal with numerical approximation of the solution of the transport equations by using a mixed-hybrid scheme. We derive and study a mixed formulation of the transport equation, then we analyse the related variational problem and present the discretization and the main properties of the scheme. We particularly pay attention to the behavior of the scheme and we show its efficiency in the diffusion limit (when the mean free path is small in comparison with the characteristic length of the physical domain). We present academical benchmarks in order to compare our scheme with other methods in many physical configurations and validate our method on analytical test cases. Unstructured and very distorted meshes are used to validate our scheme. The second part of this thesis deals with two transport problems. The first one is devoted to the study of diffusion due to boundary conditions in a transport problem between two plane plates. The second one consists in modelling and simulating radiative transfer phenomenon in case of the industrial context of inertial confinement fusion. (author)

  17. Comparison of methods for measuring flux gradients in type II superconductors

    International Nuclear Information System (INIS)

    Kroeger, D.M.; Koch, C.C.; Charlesworth, J.P.

    1975-01-01

    A comparison has been made of four methods of measuring the critical current density J/sub c/ in hysteretic type II superconductors, having a wide range of K and J/sub c/ values, in magnetic fields up to 70 kOe. Two of the methods, (a) resistive measurements and (b) magnetization measurements, were carried out in static magnetic fields. The other two methods involved analysis of the response of the sample to a small alternating field superimposed on the static field. The response was analyzed either (c) by measuring the third-harmonic content or (d) by integration of the waveform to obtain measure of flux penetration. The results are discussed with reference to the agreement between the different techniques and the consistency of the critical state hypothesis on which all these techniques are based. It is concluded that flux-penetration measurements by method (d) provide the most detailed information about J/sub c/ but that one must be wary of minor failures of the critical state hypothesis. Best results are likely to be obtained by using more than one method. (U.S.)

  18. Preconcentration of Sn (II) using the methylene blue on the activated carbon and its determination by spectrophotometry method.

    Science.gov (United States)

    Khodadoust, Saeid; Cham Kouri, Narges

    2014-04-05

    A simple and accurate spectrophotometric method for determination of trace amounts of Sn (II) ion in soil sample was developed by using the methylene blue (MB) in the presence of activated carbon (AC) as the adsorbent Solid Phase Extraction (SPE) of Sn (II) and then determined by UV-Vis. The Beer's law is obeyed over the concentration range of 1-80ngmL(-1) of Sn (II) with the detection limits of 0.34ngmL(-1). The influence of type and volume of eluent, concentration of MB, pH, and amount of AC on sensitivity of spectrophotometric method were optimized. The method has been successfully applied for Sn (II) ion determination in soil sample. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. A Comparison between the Decimated Padé Approximant and Decimated Signal Diagonalization Methods for Leak Detection in Pipelines Equipped with Pressure Sensors.

    Science.gov (United States)

    Lay-Ekuakille, Aimé; Fabbiano, Laura; Vacca, Gaetano; Kitoko, Joël Kidiamboko; Kulapa, Patrice Bibala; Telesca, Vito

    2018-06-04

    Pipelines conveying fluids are considered strategic infrastructures to be protected and maintained. They generally serve for transportation of important fluids such as drinkable water, waste water, oil, gas, chemicals, etc. Monitoring and continuous testing, especially on-line, are necessary to assess the condition of pipelines. The paper presents findings related to a comparison between two spectral response algorithms based on the decimated signal diagonalization (DSD) and decimated Padé approximant (DPA) techniques that allow to one to process signals delivered by pressure sensors mounted on an experimental pipeline.

  20. A Comparison between the Decimated Padé Approximant and Decimated Signal Diagonalization Methods for Leak Detection in Pipelines Equipped with Pressure Sensors

    Directory of Open Access Journals (Sweden)

    Aimé Lay-Ekuakille

    2018-06-01

    Full Text Available Pipelines conveying fluids are considered strategic infrastructures to be protected and maintained. They generally serve for transportation of important fluids such as drinkable water, waste water, oil, gas, chemicals, etc. Monitoring and continuous testing, especially on-line, are necessary to assess the condition of pipelines. The paper presents findings related to a comparison between two spectral response algorithms based on the decimated signal diagonalization (DSD and decimated Padé approximant (DPA techniques that allow to one to process signals delivered by pressure sensors mounted on an experimental pipeline.

  1. On a novel iterative method to compute polynomial approximations to Bessel functions of the first kind and its connection to the solution of fractional diffusion/diffusion-wave problems

    International Nuclear Information System (INIS)

    Yuste, Santos Bravo; Abad, Enrique

    2011-01-01

    We present an iterative method to obtain approximations to Bessel functions of the first kind J p (x) (p > -1) via the repeated application of an integral operator to an initial seed function f 0 (x). The class of seed functions f 0 (x) leading to sets of increasingly accurate approximations f n (x) is considerably large and includes any polynomial. When the operator is applied once to a polynomial of degree s, it yields a polynomial of degree s + 2, and so the iteration of this operator generates sets of increasingly better polynomial approximations of increasing degree. We focus on the set of polynomial approximations generated from the seed function f 0 (x) = 1. This set of polynomials is useful not only for the computation of J p (x) but also from a physical point of view, as it describes the long-time decay modes of certain fractional diffusion and diffusion-wave problems.

  2. Ultrafast Approximation for Phylogenetic Bootstrap

    NARCIS (Netherlands)

    Bui Quang Minh, [No Value; Nguyen, Thi; von Haeseler, Arndt

    Nonparametric bootstrap has been a widely used tool in phylogenetic analysis to assess the clade support of phylogenetic trees. However, with the rapidly growing amount of data, this task remains a computational bottleneck. Recently, approximation methods such as the RAxML rapid bootstrap (RBS) and

  3. EPR of free radicals in solids II trends in methods and applications

    CERN Document Server

    Lund, Anders; Lund, Anders

    2012-01-01

    EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed. presents a critical two volume review of the methods and applications of EPR (ESR) for the study of free radical processes in solids. Emphasis is on the progress made in the developments in EPR technology, in the application of sophisticated matrix isolation techniques and in the advancement in quantitative EPR that have occurred since the 1st edition was published. Improvements have been made also at theoretical level, with the development of methods based on first principles and their application to the calculation of magnetic properties as well as in spectral simulations. EPR of Free Radicals in Solids II focuses on the trends in applications of experimental and theoretical methods to extract structural and dynamical properties of radicals and spin probes in solid matrices by continuous wave (CW) and pulsed techniques in nine chapters written by experts in the field. It examines the studies involving radiation- and photo-induced in...

  4. Optimal power flow: a bibliographic survey II. Non-deterministic and hybrid methods

    Energy Technology Data Exchange (ETDEWEB)

    Frank, Stephen [Colorado School of Mines, Department of Electrical Engineering and Computer Science, Golden, CO (United States); Steponavice, Ingrida [Univ. of Jyvaskyla, Dept. of Mathematical Information Technology, Agora (Finland); Rebennack, Steffen [Colorado School of Mines, Division of Economics and Business, Golden, CO (United States)

    2012-09-15

    Over the past half-century, optimal power flow (OPF) has become one of the most important and widely studied nonlinear optimization problems. In general, OPF seeks to optimize the operation of electric power generation, transmission, and distribution networks subject to system constraints and control limits. Within this framework, however, there is an extremely wide variety of OPF formulations and solution methods. Moreover, the nature of OPF continues to evolve due to modern electricity markets and renewable resource integration. In this two-part survey, we survey both the classical and recent OPF literature in order to provide a sound context for the state of the art in OPF formulation and solution methods. The survey contributes a comprehensive discussion of specific optimization techniques that have been applied to OPF, with an emphasis on the advantages, disadvantages, and computational characteristics of each. Part I of the survey provides an introduction and surveys the deterministic optimization methods that have been applied to OPF. Part II of the survey (this article) examines the recent trend towards stochastic, or non-deterministic, search techniques and hybrid methods for OPF. (orig.)

  5. Empirical Benchmarks of Hidden Bias in Educational Research: Implication for Assessing How well Propensity Score Methods Approximate Experiments and Conducting Sensitivity Analysis

    Science.gov (United States)

    Dong, Nianbo; Lipsey, Mark

    2014-01-01

    When randomized control trials (RCT) are not feasible, researchers seek other methods to make causal inference, e.g., propensity score methods. One of the underlined assumptions for the propensity score methods to obtain unbiased treatment effect estimates is the ignorability assumption, that is, conditional on the propensity score, treatment…

  6. On Covering Approximation Subspaces

    Directory of Open Access Journals (Sweden)

    Xun Ge

    2009-06-01

    Full Text Available Let (U';C' be a subspace of a covering approximation space (U;C and X⊂U'. In this paper, we show that and B'(X⊂B(X∩U'. Also, iff (U;C has Property Multiplication. Furthermore, some connections between outer (resp. inner definable subsets in (U;C and outer (resp. inner definable subsets in (U';C' are established. These results answer a question on covering approximation subspace posed by J. Li, and are helpful to obtain further applications of Pawlak rough set theory in pattern recognition and artificial intelligence.

  7. Optimizing Cu(II) removal from aqueous solution by magnetic nanoparticles immobilized on activated carbon using Taguchi method.

    Science.gov (United States)

    Ebrahimi Zarandi, Mohammad Javad; Sohrabi, Mahmoud Reza; Khosravi, Morteza; Mansouriieh, Nafiseh; Davallo, Mehran; Khosravan, Azita

    2016-01-01

    This study synthesized magnetic nanoparticles (Fe(3)O(4)) immobilized on activated carbon (AC) and used them as an effective adsorbent for Cu(II) removal from aqueous solution. The effect of three parameters, including the concentration of Cu(II), dosage of Fe(3)O(4)/AC magnetic nanocomposite and pH on the removal of Cu(II) using Fe(3)O(4)/AC nanocomposite were studied. In order to examine and describe the optimum condition for each of the mentioned parameters, Taguchi's optimization method was used in a batch system and L9 orthogonal array was used for the experimental design. The removal percentage (R%) of Cu(II) and uptake capacity (q) were transformed into an accurate signal-to-noise ratio (S/N) for a 'larger-the-better' response. Taguchi results, which were analyzed based on choosing the best run by examining the S/N, were statistically tested using analysis of variance; the tests showed that all the parameters' main effects were significant within a 95% confidence level. The best conditions for removal of Cu(II) were determined at pH of 7, nanocomposite dosage of 0.1 gL(-1) and initial Cu(II) concentration of 20 mg L(-1) at constant temperature of 25 °C. Generally, the results showed that the simple Taguchi's method is suitable to optimize the Cu(II) removal experiments.

  8. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    International Nuclear Information System (INIS)

    Zhang, Shen; Kang, Wei; Wang, Hongwei; Zhang, Ping; He, X. T.

    2016-01-01

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  9. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shen; Kang, Wei, E-mail: weikang@pku.edu.cn [Center for Applied Physics and Technology, HEDPS, Peking University, Beijing 100871 (China); College of Engineering, Peking University, Beijing 100871 (China); Wang, Hongwei [College of Engineering, Peking University, Beijing 100871 (China); Zhang, Ping, E-mail: zhang-ping@iapcm.ac.cn [Center for Applied Physics and Technology, HEDPS, Peking University, Beijing 100871 (China); LCP, Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); He, X. T., E-mail: xthe@iapcm.ac.cn [Center for Applied Physics and Technology, HEDPS, and IFSA Collaborative Innovation Center of MoE, Peking University, Beijing 100871 (China); Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China)

    2016-04-15

    An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics.

  10. A HUBBLE DIAGRAM FROM TYPE II SUPERNOVAE BASED SOLELY ON PHOTOMETRY: THE PHOTOMETRIC COLOR METHOD

    International Nuclear Information System (INIS)

    De Jaeger, T.; González-Gaitán, S.; Galbany, L.; Hamuy, M.; Gutiérrez, C. P.; Kuncarayakti, H.; Anderson, J. P.; Phillips, M. M.; Campillay, A.; Castellón, S.; Hsiao, E. Y.; Morrell, N.; Stritzinger, M. D.; Contreras, C.; Bolt, L.; Burns, C. R.; Folatelli, G.; Freedman, W. L.; Krisciunas, K.; Krzeminski, W.

    2015-01-01

    We present a Hubble diagram of SNe II using corrected magnitudes derived only from photometry, with no input of spectral information. We use a data set from the Carnegie Supernovae Project I for which optical and near-infrared light curves were obtained. The apparent magnitude is corrected by two observables, one corresponding to the slope of the plateau in the V band and the second a color term. We obtain a dispersion of 0.44 mag using a combination of the (V − i) color and the r band and we are able to reduce the dispersion to 0.39 mag using our golden sample. A comparison of our photometric color method (PCM) with the standardized candle method (SCM) is also performed. The dispersion obtained for the SCM (which uses both photometric and spectroscopic information) is 0.29 mag, which compares with 0.43 mag from the PCM for the same SN sample. The construction of a photometric Hubble diagram is of high importance in the coming era of large photometric wide-field surveys, which will increase the detection rate of supernovae by orders of magnitude. Such numbers will prohibit spectroscopic follow up in the vast majority of cases, and hence methods must be deployed which can proceed using solely photometric data

  11. A HUBBLE DIAGRAM FROM TYPE II SUPERNOVAE BASED SOLELY ON PHOTOMETRY: THE PHOTOMETRIC COLOR METHOD

    Energy Technology Data Exchange (ETDEWEB)

    De Jaeger, T.; González-Gaitán, S.; Galbany, L.; Hamuy, M.; Gutiérrez, C. P.; Kuncarayakti, H. [Millennium Institute of Astrophysics, Santiago (Chile); Anderson, J. P. [European Southern Observatory, Alonso de Córdova 3107, Casilla 19, Santiago (Chile); Phillips, M. M.; Campillay, A.; Castellón, S.; Hsiao, E. Y.; Morrell, N. [Las Campanas Observatory, Carnegie Observatories, Casilla 601, La Serena (Chile); Stritzinger, M. D.; Contreras, C. [Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Bolt, L. [Argelander Institut für Astronomie, Universität Bonn, Auf dem Hgel 71, D-53111 Bonn (Germany); Burns, C. R. [Observatories of the Carnegie Institution for Science, Pasadena, CA 91101 (United States); Folatelli, G. [Instituto de Astrofísica de La Plata, CONICET, Paseo del Bosque S/N, B1900FWA, La Plata (Argentina); Freedman, W. L. [Department of Astronomy and Astrophysics, University of Chicago, Chicago, IL 60637 (United States); Krisciunas, K. [George P. and Cynthia Woods Mitchell Institute for Fundamental Physics and Astronomy, Department of Physics and Astronomy, Texas A and M University, College Station, TX 77843 (United States); Krzeminski, W., E-mail: dthomas@das.uchile.cl [N. Copernicus Astronomical Center, ul. Bartycka 18, 00-716 Warszawa (Poland); and others

    2015-12-20

    We present a Hubble diagram of SNe II using corrected magnitudes derived only from photometry, with no input of spectral information. We use a data set from the Carnegie Supernovae Project I for which optical and near-infrared light curves were obtained. The apparent magnitude is corrected by two observables, one corresponding to the slope of the plateau in the V band and the second a color term. We obtain a dispersion of 0.44 mag using a combination of the (V − i) color and the r band and we are able to reduce the dispersion to 0.39 mag using our golden sample. A comparison of our photometric color method (PCM) with the standardized candle method (SCM) is also performed. The dispersion obtained for the SCM (which uses both photometric and spectroscopic information) is 0.29 mag, which compares with 0.43 mag from the PCM for the same SN sample. The construction of a photometric Hubble diagram is of high importance in the coming era of large photometric wide-field surveys, which will increase the detection rate of supernovae by orders of magnitude. Such numbers will prohibit spectroscopic follow up in the vast majority of cases, and hence methods must be deployed which can proceed using solely photometric data.

  12. A Newton-Krylov method with approximate Jacobian for implicit solution of Navier-Stokes on staggered overset-curvilinear grids with immersed boundaries

    Science.gov (United States)

    Asgharzadeh, Hafez; Borazjani, Iman

    2014-11-01

    Time step-size restrictions and low convergence rates are major bottle necks for implicit solution of the Navier-Stokes in simulations involving complex geometries with moving boundaries. Newton-Krylov method (NKM) is a combination of a Newton-type method for super-linearly convergent solution of nonlinear equations and Krylov subspace methods for solving the Newton correction equations, which can theoretically address both bottle necks. The efficiency of this method vastly depends on the Jacobian forming scheme e.g. automatic differentiation is very expensive and Jacobian-free methods slow down as the mesh is refined. A novel, computationally efficient analytical Jacobian for NKM was developed to solve unsteady incompressible Navier-Stokes momentum equations on staggered curvilinear grids with immersed boundaries. The NKM was validated and verified against Taylor-Green vortex and pulsatile flow in a 90 degree bend and efficiently handles complex geometries such as an intracranial aneurysm with multiple overset grids, pulsatile inlet flow and immersed boundaries. The NKM method is shown to be more efficient than the semi-implicit Runge-Kutta methods and Jabobian-free Newton-Krylov methods. We believe NKM can be applied to many CFD techniques to decrease the computational cost. This work was supported partly by the NIH Grant R03EB014860, and the computational resources were partly provided by Center for Computational Research (CCR) at University at Buffalo.

  13. On Convex Quadratic Approximation

    NARCIS (Netherlands)

    den Hertog, D.; de Klerk, E.; Roos, J.

    2000-01-01

    In this paper we prove the counterintuitive result that the quadratic least squares approximation of a multivariate convex function in a finite set of points is not necessarily convex, even though it is convex for a univariate convex function. This result has many consequences both for the field of

  14. Prestack wavefield approximations

    KAUST Repository

    Alkhalifah, Tariq

    2013-01-01

    The double-square-root (DSR) relation offers a platform to perform prestack imaging using an extended single wavefield that honors the geometrical configuration between sources, receivers, and the image point, or in other words, prestack wavefields. Extrapolating such wavefields, nevertheless, suffers from limitations. Chief among them is the singularity associated with horizontally propagating waves. I have devised highly accurate approximations free of such singularities which are highly accurate. Specifically, I use Padé expansions with denominators given by a power series that is an order lower than that of the numerator, and thus, introduce a free variable to balance the series order and normalize the singularity. For the higher-order Padé approximation, the errors are negligible. Additional simplifications, like recasting the DSR formula as a function of scattering angle, allow for a singularity free form that is useful for constant-angle-gather imaging. A dynamic form of this DSR formula can be supported by kinematic evaluations of the scattering angle to provide efficient prestack wavefield construction. Applying a similar approximation to the dip angle yields an efficient 1D wave equation with the scattering and dip angles extracted from, for example, DSR ray tracing. Application to the complex Marmousi data set demonstrates that these approximations, although they may provide less than optimal results, allow for efficient and flexible implementations. © 2013 Society of Exploration Geophysicists.

  15. Approximating The DCM

    DEFF Research Database (Denmark)

    Madsen, Rasmus Elsborg

    2005-01-01

    The Dirichlet compound multinomial (DCM), which has recently been shown to be well suited for modeling for word burstiness in documents, is here investigated. A number of conceptual explanations that account for these recent results, are provided. An exponential family approximation of the DCM...

  16. Prestack wavefield approximations

    KAUST Repository

    Alkhalifah, Tariq

    2013-09-01

    The double-square-root (DSR) relation offers a platform to perform prestack imaging using an extended single wavefield that honors the geometrical configuration between sources, receivers, and the image point, or in other words, prestack wavefields. Extrapolating such wavefields, nevertheless, suffers from limitations. Chief among them is the singularity associated with horizontally propagating waves. I have devised highly accurate approximations free of such singularities which are highly accurate. Specifically, I use Padé expansions with denominators given by a power series that is an order lower than that of the numerator, and thus, introduce a free variable to balance the series order and normalize the singularity. For the higher-order Padé approximation, the errors are negligible. Additional simplifications, like recasting the DSR formula as a function of scattering angle, allow for a singularity free form that is useful for constant-angle-gather imaging. A dynamic form of this DSR formula can be supported by kinematic evaluations of the scattering angle to provide efficient prestack wavefield construction. Applying a similar approximation to the dip angle yields an efficient 1D wave equation with the scattering and dip angles extracted from, for example, DSR ray tracing. Application to the complex Marmousi data set demonstrates that these approximations, although they may provide less than optimal results, allow for efficient and flexible implementations. © 2013 Society of Exploration Geophysicists.

  17. Determination of the rotational diffusion tensor of macromolecules in solution from nmr relaxation data with a combination of exact and approximate methods--application to the determination of interdomain orientation in multidomain proteins.

    Science.gov (United States)

    Ghose, R; Fushman, D; Cowburn, D

    2001-04-01

    In this paper we present a method for determining the rotational diffusion tensor from NMR relaxation data using a combination of approximate and exact methods. The approximate method, which is computationally less intensive, computes values of the principal components of the diffusion tensor and estimates the Euler angles, which relate the principal axis frame of the diffusion tensor to the molecular frame. The approximate values of the principal components are then used as starting points for an exact calculation by a downhill simplex search for the principal components of the tensor over a grid of the space of Euler angles relating the diffusion tensor frame to the molecular frame. The search space of Euler angles is restricted using the tensor orientations calculated using the approximate method. The utility of this approach is demonstrated using both simulated and experimental relaxation data. A quality factor that determines the extent of the agreement between the measured and predicted relaxation data is provided. This approach is then used to estimate the relative orientation of SH3 and SH2 domains in the SH(32) dual-domain construct of Abelson kinase complexed with a consolidated ligand. Copyright 2001 Academic Press.

  18. Amplification of cox2 (approximately 620 bp) from 2 mg of up to 129 years old herbarium specimens, comparing 19 extraction methods and 15 polymerases.

    Science.gov (United States)

    Telle, Sabine; Thines, Marco

    2008-01-01

    During the past years an increasing number of studies have focussed on the use of herbarium specimens for molecular phylogenetic investigations and several comparative studies have been published. However, in the studies reported so far usually rather large amounts of material (typically around 100 mg) were sampled for DNA extraction. This equals an amount roughly equivalent to 8 cm(2) of a medium thick leaf. For investigating the phylogeny of plant pathogens, such large amounts of tissue are usually not available or would irretrievably damage the specimens. Through systematic comparison of 19 DNA extraction protocols applied to only 2 mg of infected leaf tissue and testing 15 different DNA polymerases, we could successfully amplify a mitochondrial DNA region (cox2; approximately 620 bp) from herbarium specimens well over a hundred years old. We conclude that DNA extraction and the choice of DNA polymerase are crucial factors for successful PCR amplification from small samples of historic herbarium specimens. Through a combination of suitable DNA extraction protocols and DNA polymerases, only a fraction of the preserved plant material commonly used is necessary for successful PCR amplification. This facilitates the potential use of a far larger number of preserved specimens for molecular phylogenetic investigation and provides access to a wealth of genetic information in preserved in specimens deposited in herbaria around the world without reducing their scientific or historical value.

  19. The Pediatric Obsessive-Compulsive Disorder Treatment Study II: rationale, design and methods

    Directory of Open Access Journals (Sweden)

    March John S

    2009-01-01

    Full Text Available Abstract This paper presents the rationale, design, and methods of the Pediatric Obsessive-Compulsive Disorder Treatment Study II (POTS II, which investigates two different cognitive-behavior therapy (CBT augmentation approaches in children and adolescents who have experienced a partial response to pharmacotherapy with a serotonin reuptake inhibitor for OCD. The two CBT approaches test a "single doctor" versus "dual doctor" model of service delivery. A specific goal was to develop and test an easily disseminated protocol whereby child psychiatrists would provide instructions in core CBT procedures recommended for pediatric OCD (e.g., hierarchy development, in vivo exposure homework during routine medical management of OCD (I-CBT. The conventional "dual doctor" CBT protocol consists of 14 visits over 12 weeks involving: (1 psychoeducation, (2, cognitive training, (3 mapping OCD, and (4 exposure with response prevention (EX/RP. I-CBT is a 7-session version of CBT that does not include imaginal exposure or therapist-assisted EX/RP. In this study, we compared 12 weeks of medication management (MM provided by a study psychiatrist (MM only with two types of CBT augmentation: (1 the dual doctor model (MM+CBT; and (2 the single doctor model (MM+I-CBT. The design balanced elements of an efficacy study (e.g., random assignment, independent ratings with effectiveness research aims (e.g., differences in specific SRI medications, dosages, treatment providers. The study is wrapping up recruitment of 140 youth ages 7–17 with a primary diagnosis of OCD. Independent evaluators (IEs rated participants at weeks 0,4,8, and 12 during acute treatment and at 3,6, and 12 month follow-up visits. Trial registration NCT00074815

  20. Prediction of MHC class II binding affinity using SMM-align, a novel stabilization matrix alignment method.

    Science.gov (United States)

    Nielsen, Morten; Lundegaard, Claus; Lund, Ole

    2007-07-04

    Antigen presenting cells (APCs) sample the extra cellular space and present peptides from here to T helper cells, which can be activated if the peptides are of foreign origin. The peptides are presented on the surface of the cells in complex with major histocompatibility class II (MHC II) molecules. Identification of peptides that bind MHC II molecules is thus a key step in rational vaccine design and developing methods for accurate prediction of the peptide:MHC interactions play a central role in epitope discovery. The MHC class II binding groove is open at both ends making the correct alignment of a peptide in the binding groove a crucial part of identifying the core of an MHC class II binding motif. Here, we present a novel stabilization matrix alignment method, SMM-align, that allows for direct prediction of peptide:MHC binding affinities. The predictive performance of the method is validated on a large MHC class II benchmark data set covering 14 HLA-DR (human MHC) and three mouse H2-IA alleles. The predictive performance of the SMM-align method was demonstrated to be superior to that of the Gibbs sampler, TEPITOPE, SVRMHC, and MHCpred methods. Cross validation between peptide data set obtained from different sources demonstrated that direct incorporation of peptide length potentially results in over-fitting of the binding prediction method. Focusing on amino terminal peptide flanking residues (PFR), we demonstrate a consistent gain in predictive performance by favoring binding registers with a minimum PFR length of two amino acids. Visualizing the binding motif as obtained by the SMM-align and TEPITOPE methods highlights a series of fundamental discrepancies between the two predicted motifs. For the DRB1*1302 allele for instance, the TEPITOPE method favors basic amino acids at most anchor positions, whereas the SMM-align method identifies a preference for hydrophobic or neutral amino acids at the anchors. The SMM-align method was shown to outperform other