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Sample records for pade approximant method

  1. Detecting Gravitational Waves using Pade Approximants

    NASA Astrophysics Data System (ADS)

    Porter, E. K.; Sathyaprakash, B. S.

    1998-12-01

    We look at the use of Pade Approximants in defining a metric tensor for the inspiral waveform template manifold. By using this method we investigate the curvature of the template manifold and the number of templates needed to carry out a realistic search for a Gravitational Wave signal. By comparing this method with the normal use of Taylor Approximant waveforms we hope to show that (a) Pade Approximants are a superior method for calculating the inspiral waveform, and (b) the number of search templates needed, and hence computing power, is reduced.

  2. Diagonal Pade approximations for initial value problems

    SciTech Connect

    Reusch, M.F.; Ratzan, L.; Pomphrey, N.; Park, W.

    1987-06-01

    Diagonal Pade approximations to the time evolution operator for initial value problems are applied in a novel way to the numerical solution of these problems by explicitly factoring the polynomials of the approximation. A remarkable gain over conventional methods in efficiency and accuracy of solution is obtained. 20 refs., 3 figs., 1 tab.

  3. Matrix Pade-type approximant and directional matrix Pade approximant in the inner product space

    NASA Astrophysics Data System (ADS)

    Gu, Chuanqing

    2004-03-01

    A new matrix Pade-type approximant (MPTA) is defined in the paper by introducing a generalized linear functional in the inner product space. The expressions of MPTA are provided with the generating function form and the determinant form. Moreover, a directional matrix Pade approximant is also established by giving a set of linearly independent matrices. In the end, it is shown that the method of MPTA can be applied to the reduction problems of the high degree multivariable linear system.

  4. Type II Hermite-Pade approximation to the exponential function

    NASA Astrophysics Data System (ADS)

    Kuijlaars, A. B. J.; Stahl, H.; van Assche, W.; Wielonsky, F.

    2007-10-01

    We obtain strong and uniform asymptotics in every domain of the complex plane for the scaled polynomials a(3nz), b(3nz), and c(3nz) where a, b, and c are the type II Hermite-Pade approximants to the exponential function of respective degrees 2n+2, 2n and 2n, defined by and as z-->0. Our analysis relies on a characterization of these polynomials in terms of a 3x3 matrix Riemann-Hilbert problem which, as a consequence of the famous Mahler relations, corresponds by a simple transformation to a similar Riemann-Hilbert problem for type I Hermite-Pade approximants. Due to this relation, the study that was performed in previous work, based on the Deift-Zhou steepest descent method for Riemann-Hilbert problems, can be reused to establish our present results.

  5. Unfolding the Second Riemann sheet with Pade Approximants: hunting resonance poles

    SciTech Connect

    Masjuan, Pere

    2011-05-23

    Based on Pade Theory, a new procedure for extracting the pole mass and width of resonances is proposed. The method is systematic and provides a model-independent treatment for the prediction and the errors of the approximation.

  6. Trigonometric Pade approximants for functions with regularly decreasing Fourier coefficients

    SciTech Connect

    Labych, Yuliya A; Starovoitov, Alexander P

    2009-08-31

    Sufficient conditions describing the regular decrease of the coefficients of a Fourier series f(x)=a{sub 0}/2 + {sigma} a{sub n} cos kx are found which ensure that the trigonometric Pade approximants {pi}{sup t}{sub n,m}(x;f) converge to the function f in the uniform norm at a rate which coincides asymptotically with the highest possible one. The results obtained are applied to problems dealing with finding sharp constants for rational approximations. Bibliography: 31 titles.

  7. On the Baker-Gammel-Wills conjecture in the theory of Pade approximants

    SciTech Connect

    Buslaev, V I

    2002-06-30

    The well-known Pade conjecture, which was formulated in 1961 by Baker, Gammel, and Wills states that for each meromorphic function f in the unit disc D there exists a subsequence of its diagonal Pade approximants converging to f uniformly on all compact subsets of D not containing the poles of f. In 2001, Lubinsky found a meromorphic function in D disproving Pade's conjecture. The function presented in this article disproves the holomorphic version of Pade's conjecture and simultaneously disproves Stahl's conjecture (Pade's conjecture for algebraic functions)

  8. Accurate calculation of Coulomb sums: Efficacy of Pade-like methods

    SciTech Connect

    Sarkar, B. ); Bhattacharyya, K. )

    1993-09-01

    The adequacy of numerical sequence accelerative transforms in providing accurate estimates of Coulomb sums is considered, referring particularly to distorted lattices. Performance of diagonal Pade approximants (DPA) in this context is critically assessed. Failure in the case of lattice vacancies is also demonstrated. The method of multiple-point Pade approximants (MPA) has been introduced for slowly convergent sequences and is shown to work well for both regular and distorted lattices, the latter being due either to impurities or vacancies. Viability of the two methods is also compared. In divergent situations with distortions owing to vacancies, a strategy of obtaining reliable results by separate applications of both DPA and MPA at appropriate places is also sketched. Representative calculations involve two basic cubic-lattice sums, one slowly convergent and the other divergent, from which very good quality estimates of Madelung constants for a number of common lattices follow.

  9. PAWS/STEM - PADE APPROXIMATION WITH SCALING AND SCALED TAYLOR EXPONENTIAL MATRIX (VAX VMS VERSION)

    NASA Technical Reports Server (NTRS)

    Butler, R. W.

    1994-01-01

    Traditional fault-tree techniques for analyzing the reliability of large, complex systems fail to model the dynamic reconfiguration capabilities of modern computer systems. Markov models, on the other hand, can describe fault-recovery (via system reconfiguration) as well as fault-occurrence. The Pade Approximation with Scaling (PAWS) and Scaled Taylor Exponential Matrix (STEM) programs provide a flexible, user-friendly, language-based interface for the creation and evaluation of Markov models describing the behavior of fault-tolerant reconfigurable computer systems. PAWS and STEM produce exact solutions for the probability of system failure and provide a conservative estimate of the number of significant digits in the solution. The calculation of the probability of entering a death state of a Markov model (representing system failure) requires the solution of a set of coupled differential equations. Because of the large disparity between the rates of fault arrivals and system recoveries, Markov models of fault-tolerant architectures inevitably lead to numerically stiff differential equations. Both PAWS and STEM have the capability to solve numerically stiff models. These complementary programs use separate methods to determine the matrix exponential in the solution of the model's system of differential equations. In general, PAWS is better suited to evaluate small and dense models. STEM operates at lower precision, but works faster than PAWS for larger models. The mathematical approach chosen to solve a reliability problem may vary with the size and nature of the problem. Although different solution techniques are utilized on different programs, it is possible to have a common input language. The Systems Validation Methods group at NASA Langley Research Center has created a set of programs that form the basis for a reliability analysis workstation. The set of programs are: SURE reliability analysis program (COSMIC program LAR-13789, LAR-14921); the ASSIST

  10. PAWS/STEM - PADE APPROXIMATION WITH SCALING AND SCALED TAYLOR EXPONENTIAL MATRIX (SUN VERSION)

    NASA Technical Reports Server (NTRS)

    Butler, R. W.

    1994-01-01

    Traditional fault-tree techniques for analyzing the reliability of large, complex systems fail to model the dynamic reconfiguration capabilities of modern computer systems. Markov models, on the other hand, can describe fault-recovery (via system reconfiguration) as well as fault-occurrence. The Pade Approximation with Scaling (PAWS) and Scaled Taylor Exponential Matrix (STEM) programs provide a flexible, user-friendly, language-based interface for the creation and evaluation of Markov models describing the behavior of fault-tolerant reconfigurable computer systems. PAWS and STEM produce exact solutions for the probability of system failure and provide a conservative estimate of the number of significant digits in the solution. The calculation of the probability of entering a death state of a Markov model (representing system failure) requires the solution of a set of coupled differential equations. Because of the large disparity between the rates of fault arrivals and system recoveries, Markov models of fault-tolerant architectures inevitably lead to numerically stiff differential equations. Both PAWS and STEM have the capability to solve numerically stiff models. These complementary programs use separate methods to determine the matrix exponential in the solution of the model's system of differential equations. In general, PAWS is better suited to evaluate small and dense models. STEM operates at lower precision, but works faster than PAWS for larger models. The mathematical approach chosen to solve a reliability problem may vary with the size and nature of the problem. Although different solution techniques are utilized on different programs, it is possible to have a common input language. The Systems Validation Methods group at NASA Langley Research Center has created a set of programs that form the basis for a reliability analysis workstation. The set of programs are: SURE reliability analysis program (COSMIC program LAR-13789, LAR-14921); the ASSIST

  11. Modelling vibrational-rotational interactions in intensities of v2 band of H2O by Pade approximants

    NASA Astrophysics Data System (ADS)

    Egorov, O. V.; Voitsekhovskaya, O. K.

    2014-11-01

    A semiempirical model in the form of Pade approximants, describing vibrational-rotational (VR) interactions in intensities of VR-lines of v2 water vapor (H2O) band, was developed. The corresponding to the C2v molecular symmetry group matrix elements, involved in the expansion of the transformed dipole moment, was applied to the derivation. The treatment of experimental intensities of v2 H2O band for transitions with ΔK = +/-1 and ΔK = +/-3 by means of obtained model results in decreasing the root mean square deviation (RMS) about two times (2.82 % instead of 6.20 %) in comparison to the traditional scheme.

  12. On the use of Pade approximants to represent unsteady aerodynamic loads for arbitrarily small motions of wings

    NASA Technical Reports Server (NTRS)

    Vepa, R.

    1976-01-01

    The general behavior of unsteady airloads in the frequency domain is explained. Based on this, a systematic procedure is described whereby the airloads, produced by completely arbitrary, small, time-dependent motions of a thin lifting surface in an airstream, can be predicted. This scheme employs as raw materials any of the unsteady linearized theories that have been mechanized for simple harmonic oscillations. Each desired aerodynamic transfer function is approximated by means of an appropriate Pade approximant, that is, a rational function of finite degree polynomials in the Laplace transform variable. Although these approximations have many uses, they are proving especially valuable in the design of automatic control systems intended to modify aeroelastic behavior.

  13. Semi-Implicit Operator Splitting Pade Method For Vector HNLS Solitons

    SciTech Connect

    Aziez, Siham; Smadi, Moussa; Bahloul, Derradji

    2008-09-23

    We use in this paper the semi-implicit finite difference operator splitting Pade(OSPD) method for solving the coupled higher-order nonlinear Schroedinger equation which describes the propagation of vector solitons in optical fibers. This method having a fourth order accuracy in space shows good stability and efficiency for the coupled HNLS equations describing vector solitons. We have tested this method for analyzing the behavior of optical pulses in birefringent fibers verifying that the third order dispersion TOD has different effects on the two polarizations and the asymmetric oscillation is significant only in one polarization.

  14. A hybrid Pade-Galerkin technique for differential equations

    NASA Technical Reports Server (NTRS)

    Geer, James F.; Andersen, Carl M.

    1993-01-01

    A three-step hybrid analysis technique, which successively uses the regular perturbation expansion method, the Pade expansion method, and then a Galerkin approximation, is presented and applied to some model boundary value problems. In the first step of the method, the regular perturbation method is used to construct an approximation to the solution in the form of a finite power series in a small parameter epsilon associated with the problem. In the second step of the method, the series approximation obtained in step one is used to construct a Pade approximation in the form of a rational function in the parameter epsilon. In the third step, the various powers of epsilon which appear in the Pade approximation are replaced by new (unknown) parameters (delta(sub j)). These new parameters are determined by requiring that the residual formed by substituting the new approximation into the governing differential equation is orthogonal to each of the perturbation coordinate functions used in step one. The technique is applied to model problems involving ordinary or partial differential equations. In general, the technique appears to provide good approximations to the solution even when the perturbation and Pade approximations fail to do so. The method is discussed and topics for future investigations are indicated.

  15. Pade spectroscopy of structural correlation functions: Application to liquid gallium

    NASA Astrophysics Data System (ADS)

    Chtchelkatchev, N. M.; Klumov, B. A.; Ryltsev, R. E.; Khusnutdinoff, R. M.; Mokshin, A. V.

    2016-03-01

    We propose the new method of fluid structure investigation based on numerical analytic continuation of structural correlation functions with Pade approximants. The method particularly allows extracting hidden structural features of disordered condensed matter systems from experimental diffraction data. The method has been applied to investigate the local order of liquid gallium, which has a non-trivial structure in both the liquid and solid states. Processing the correlation functions obtained from molecular dynamic simulations, we show the method proposed reveals non-trivial structural features of liquid gallium such as the spectrum of length-scales and the existence of different types of local clusters in the liquid.

  16. Semiclassical complex angular momentum theory and Pade reconstruction for resonances, rainbows, and reaction thresholds

    SciTech Connect

    Sokolovski, D.; Msezane, A.Z.

    2004-09-01

    A semiclassical complex angular momentum theory, used to analyze atom-diatom reactive angular distributions, is applied to several well-known potential (one-particle) problems. Examples include resonance scattering, rainbow scattering, and the Eckart threshold model. Pade reconstruction of the corresponding matrix elements from the values at physical (integral) angular momenta and properties of the Pade approximants are discussed in detail.

  17. An analytic Pade-motivated QCD coupling

    SciTech Connect

    Martinez, H. E.; Cvetic, G.

    2010-08-04

    We consider a modification of the Minimal Analytic (MA) coupling of Shirkov and Solovtsov. This modified MA (mMA) coupling reflects the desired analytic properties of the space-like observables. We show that an approximation by Dirac deltas of its discontinuity function {rho} is equivalent to a Pade(rational) approximation of the mMA coupling that keeps its analytic structure. We propose a modification to mMA that, as preliminary results indicate, could be an improvement in the evaluation of low-energy observables compared with other analytic couplings.

  18. PaDe - The particle detection program

    NASA Astrophysics Data System (ADS)

    Ott, T.; Drolshagen, E.; Koschny, D.; Poppe, B.

    2016-01-01

    This paper introduces the Particle Detection program PaDe. Its aim is to analyze dust particles in the coma of the Jupiter-family comet 67P/Churyumov-Gerasimenko which were recorded by the two OSIRIS (Optical, Spectroscopic, and Infrared Remote Imaging System) cameras onboard the ESA spacecraft Rosetta, see e.g. Keller et al. (2007). In addition to working with the Rosetta data, the code was modified to work with images from meteors. It was tested with data recorded by the ICCs (Intensified CCD Cameras) of the CILBO-System (Canary Island Long-Baseline Observatory) on the Canary Islands; compare Koschny et al. (2013). This paper presents a new method for the position determination of the observed meteors. The PaDe program was written in Python 3.4. Its original intent is to find the trails of dust particles in space from the OSIRIS images. For that it determines the positions where the trail starts and ends. They were found using a fit following the so-called error function (Andrews, 1998) for the two edges of the profiles. The positions where the intensities fall to the half maximum were found to be the beginning and end of the particle. In the case of meteors, this method can be applied to find the leading edge of the meteor. The proposed method has the potential to increase the accuracy of the position determination of meteors dramatically. Other than the standard method of finding the photometric center, our method is not influenced by any trails or wakes behind the meteor. This paper presents first results of this ongoing work.

  19. An approximation method for electrostatic Vlasov turbulence

    NASA Technical Reports Server (NTRS)

    Klimas, A. J.

    1979-01-01

    Electrostatic Vlasov turbulence in a bounded spatial region is considered. An iterative approximation method with a proof of convergence is constructed. The method is non-linear and applicable to strong turbulence.

  20. Approximate error conjugation gradient minimization methods

    DOEpatents

    Kallman, Jeffrey S

    2013-05-21

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

  1. Approximation methods in gravitational-radiation theory

    NASA Technical Reports Server (NTRS)

    Will, C. M.

    1986-01-01

    The observation of gravitational-radiation damping in the binary pulsar PSR 1913 + 16 and the ongoing experimental search for gravitational waves of extraterrestrial origin have made the theory of gravitational radiation an active branch of classical general relativity. In calculations of gravitational radiation, approximation methods play a crucial role. Recent developments are summarized in two areas in which approximations are important: (a) the quadrupole approxiamtion, which determines the energy flux and the radiation reaction forces in weak-field, slow-motion, source-within-the-near-zone systems such as the binary pulsar; and (b) the normal modes of oscillation of black holes, where the Wentzel-Kramers-Brillouin approximation gives accurate estimates of the complex frequencies of the modes.

  2. Second derivatives for approximate spin projection methods

    SciTech Connect

    Thompson, Lee M.; Hratchian, Hrant P.

    2015-02-07

    The use of broken-symmetry electronic structure methods is required in order to obtain correct behavior of electronically strained open-shell systems, such as transition states, biradicals, and transition metals. This approach often has issues with spin contamination, which can lead to significant errors in predicted energies, geometries, and properties. Approximate projection schemes are able to correct for spin contamination and can often yield improved results. To fully make use of these methods and to carry out exploration of the potential energy surface, it is desirable to develop an efficient second energy derivative theory. In this paper, we formulate the analytical second derivatives for the Yamaguchi approximate projection scheme, building on recent work that has yielded an efficient implementation of the analytical first derivatives.

  3. Approximation methods in relativistic eigenvalue perturbation theory

    NASA Astrophysics Data System (ADS)

    Noble, Jonathan Howard

    In this dissertation, three questions, concerning approximation methods for the eigenvalues of quantum mechanical systems, are investigated: (i) What is a pseudo--Hermitian Hamiltonian, and how can its eigenvalues be approximated via numerical calculations? This is a fairly broad topic, and the scope of the investigation is narrowed by focusing on a subgroup of pseudo--Hermitian operators, namely, PT--symmetric operators. Within a numerical approach, one projects a PT--symmetric Hamiltonian onto an appropriate basis, and uses a straightforward two--step algorithm to diagonalize the resulting matrix, leading to numerically approximated eigenvalues. (ii) Within an analytic ansatz, how can a relativistic Dirac Hamiltonian be decoupled into particle and antiparticle degrees of freedom, in appropriate kinematic limits? One possible answer is the Foldy--Wouthuysen transform; however, there are alter- native methods which seem to have some advantages over the time--tested approach. One such method is investigated by applying both the traditional Foldy--Wouthuysen transform and the "chiral" Foldy--Wouthuysen transform to a number of Dirac Hamiltonians, including the central-field Hamiltonian for a gravitationally bound system; namely, the Dirac-(Einstein-)Schwarzschild Hamiltonian, which requires the formal- ism of general relativity. (iii) Are there are pseudo--Hermitian variants of Dirac Hamiltonians that can be approximated using a decoupling transformation? The tachyonic Dirac Hamiltonian, which describes faster-than-light spin-1/2 particles, is gamma5--Hermitian, i.e., pseudo-Hermitian. Superluminal particles remain faster than light upon a Lorentz transformation, and hence, the Foldy--Wouthuysen program is unsuited for this case. Thus, inspired by the Foldy--Wouthuysen program, a decoupling transform in the ultrarelativistic limit is proposed, which is applicable to both sub- and superluminal particles.

  4. Approximation methods for stochastic petri nets

    NASA Technical Reports Server (NTRS)

    Jungnitz, Hauke Joerg

    1992-01-01

    Stochastic Marked Graphs are a concurrent decision free formalism provided with a powerful synchronization mechanism generalizing conventional Fork Join Queueing Networks. In some particular cases the analysis of the throughput can be done analytically. Otherwise the analysis suffers from the classical state explosion problem. Embedded in the divide and conquer paradigm, approximation techniques are introduced for the analysis of stochastic marked graphs and Macroplace/Macrotransition-nets (MPMT-nets), a new subclass introduced herein. MPMT-nets are a subclass of Petri nets that allow limited choice, concurrency and sharing of resources. The modeling power of MPMT is much larger than that of marked graphs, e.g., MPMT-nets can model manufacturing flow lines with unreliable machines and dataflow graphs where choice and synchronization occur. The basic idea leads to the notion of a cut to split the original net system into two subnets. The cuts lead to two aggregated net systems where one of the subnets is reduced to a single transition. A further reduction leads to a basic skeleton. The generalization of the idea leads to multiple cuts, where single cuts can be applied recursively leading to a hierarchical decomposition. Based on the decomposition, a response time approximation technique for the performance analysis is introduced. Also, delay equivalence, which has previously been introduced in the context of marked graphs by Woodside et al., Marie's method and flow equivalent aggregation are applied to the aggregated net systems. The experimental results show that response time approximation converges quickly and shows reasonable accuracy in most cases. The convergence of Marie's method and flow equivalent aggregation are applied to the aggregated net systems. The experimental results show that response time approximation converges quickly and shows reasonable accuracy in most cases. The convergence of Marie's is slower, but the accuracy is generally better. Delay

  5. ConPADE: Genome Assembly Ploidy Estimation from Next-Generation Sequencing Data

    PubMed Central

    Margarido, Gabriel R. A.; Heckerman, David

    2015-01-01

    As a result of improvements in genome assembly algorithms and the ever decreasing costs of high-throughput sequencing technologies, new high quality draft genome sequences are published at a striking pace. With well-established methodologies, larger and more complex genomes are being tackled, including polyploid plant genomes. Given the similarity between multiple copies of a basic genome in polyploid individuals, assembly of such data usually results in collapsed contigs that represent a variable number of homoeologous genomic regions. Unfortunately, such collapse is often not ideal, as keeping contigs separate can lead both to improved assembly and also insights about how haplotypes influence phenotype. Here, we describe a first step in avoiding inappropriate collapse during assembly. In particular, we describe ConPADE (Contig Ploidy and Allele Dosage Estimation), a probabilistic method that estimates the ploidy of any given contig/scaffold based on its allele proportions. In the process, we report findings regarding errors in sequencing. The method can be used for whole genome shotgun (WGS) sequencing data. We also show applicability of the method for variant calling and allele dosage estimation. Results for simulated and real datasets are discussed and provide evidence that ConPADE performs well as long as enough sequencing coverage is available, or the true contig ploidy is low. We show that ConPADE may also be used for related applications, such as the identification of duplicated genes in fragmented assemblies, although refinements are needed. PMID:25880203

  6. Differential equation based method for accurate approximations in optimization

    NASA Technical Reports Server (NTRS)

    Pritchard, Jocelyn I.; Adelman, Howard M.

    1990-01-01

    A method to efficiently and accurately approximate the effect of design changes on structural response is described. The key to this method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in most cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacements are used to approximate bending stresses.

  7. Nouvelle methode pour les etudes des interactions aeroservoelastiques en boucle ouverte sur les avions F/A-18, CL-604 et ATM et en boucle fermee sur l'ATM

    NASA Astrophysics Data System (ADS)

    Dinu, Alin Dorian

    2006-04-01

    Nous avons concu, implemente puis valide une nouvelle methode d'approximation des forces aerodynamiques non stationnaires a l'aide des polynomes orthogonaux de Chebyshev. Cela represente une contribution originale dans l'analyse des interactions aeroservoelastiques. La premiere serie de resultats obtenus par cette nouvelle methode (erreurs d'approximation des forces aerodynamiques non stationnaires) est comparee avec les resultats des methodes LS et de Pade. La deuxieme serie de resultats (vitesses et frequences de battement obtenues avec cette nouvelle methode) est comparee avec celles obtenues par les methodes classiques LS et de Pade. Ces deux series de resultats obtenus par notre methode et par les deux methodes classiques LS et de Pade sont validees sur trois types differents d'avions: l'ATM (Aircraft Test Model), le F/A-18 en collaboration avec les laboratoires de la NASA Dryden Flight Research Center, et enfin le Challenger CL-604 de Bombardier Aeronautique.

  8. A new approximation method for stress constraints in structural synthesis

    NASA Technical Reports Server (NTRS)

    Vanderplaats, Garret N.; Salajegheh, Eysa

    1987-01-01

    A new approximation method for dealing with stress constraints in structural synthesis is presented. The finite element nodal forces are approximated and these are used to create an explicit, but often nonlinear, approximation to the original problem. The principal motivation is to create the best approximation possible, in order to reduce the number of detailed finite element analyses needed to reach the optimum. Examples are offered and compared with published results, to demonstrate the efficiency and reliability of the proposed method.

  9. Pade spectrum decompositions of quantum distribution functions and optimal hierarchical equations of motion construction for quantum open systems

    SciTech Connect

    Hu Jie; Luo Meng; Jiang Feng; Xu Ruixue; Yan Yijing

    2011-06-28

    Pade spectrum decomposition is an optimal sum-over-poles expansion scheme of Fermi function and Bose function [J. Hu, R. X. Xu, and Y. J. Yan, J. Chem. Phys. 133, 101106 (2010)]. In this work, we report two additional members to this family, from which the best among all sum-over-poles methods could be chosen for different cases of application. Methods are developed for determining these three Pade spectrum decomposition expansions at machine precision via simple algorithms. We exemplify the applications of present development with optimal construction of hierarchical equations-of-motion formulations for nonperturbative quantum dissipation and quantum transport dynamics. Numerical demonstrations are given for two systems. One is the transient transport current to an interacting quantum-dots system, together with the involved high-order co-tunneling dynamics. Another is the non-Markovian dynamics of a spin-boson system.

  10. Differential equation based method for accurate approximations in optimization

    NASA Technical Reports Server (NTRS)

    Pritchard, Jocelyn I.; Adelman, Howard M.

    1990-01-01

    This paper describes a method to efficiently and accurately approximate the effect of design changes on structural response. The key to this new method is to interpret sensitivity equations as differential equations that may be solved explicitly for closed form approximations, hence, the method is denoted the Differential Equation Based (DEB) method. Approximations were developed for vibration frequencies, mode shapes and static displacements. The DEB approximation method was applied to a cantilever beam and results compared with the commonly-used linear Taylor series approximations and exact solutions. The test calculations involved perturbing the height, width, cross-sectional area, tip mass, and bending inertia of the beam. The DEB method proved to be very accurate, and in msot cases, was more accurate than the linear Taylor series approximation. The method is applicable to simultaneous perturbation of several design variables. Also, the approximations may be used to calculate other system response quantities. For example, the approximations for displacement are used to approximate bending stresses.

  11. Sensitivity analysis and approximation methods for general eigenvalue problems

    NASA Technical Reports Server (NTRS)

    Murthy, D. V.; Haftka, R. T.

    1986-01-01

    Optimization of dynamic systems involving complex non-hermitian matrices is often computationally expensive. Major contributors to the computational expense are the sensitivity analysis and reanalysis of a modified design. The present work seeks to alleviate this computational burden by identifying efficient sensitivity analysis and approximate reanalysis methods. For the algebraic eigenvalue problem involving non-hermitian matrices, algorithms for sensitivity analysis and approximate reanalysis are classified, compared and evaluated for efficiency and accuracy. Proper eigenvector normalization is discussed. An improved method for calculating derivatives of eigenvectors is proposed based on a more rational normalization condition and taking advantage of matrix sparsity. Important numerical aspects of this method are also discussed. To alleviate the problem of reanalysis, various approximation methods for eigenvalues are proposed and evaluated. Linear and quadratic approximations are based directly on the Taylor series. Several approximation methods are developed based on the generalized Rayleigh quotient for the eigenvalue problem. Approximation methods based on trace theorem give high accuracy without needing any derivatives. Operation counts for the computation of the approximations are given. General recommendations are made for the selection of appropriate approximation technique as a function of the matrix size, number of design variables, number of eigenvalues of interest and the number of design points at which approximation is sought.

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

    SciTech Connect

    Benzi, M.; Tuma, M.

    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.

  13. Mapping biological entities using the longest approximately common prefix method

    PubMed Central

    2014-01-01

    Background The significant growth in the volume of electronic biomedical data in recent decades has pointed to the need for approximate string matching algorithms that can expedite tasks such as named entity recognition, duplicate detection, terminology integration, and spelling correction. The task of source integration in the Unified Medical Language System (UMLS) requires considerable expert effort despite the presence of various computational tools. This problem warrants the search for a new method for approximate string matching and its UMLS-based evaluation. Results This paper introduces the Longest Approximately Common Prefix (LACP) method as an algorithm for approximate string matching that runs in linear time. We compare the LACP method for performance, precision and speed to nine other well-known string matching algorithms. As test data, we use two multiple-source samples from the Unified Medical Language System (UMLS) and two SNOMED Clinical Terms-based samples. In addition, we present a spell checker based on the LACP method. Conclusions The Longest Approximately Common Prefix method completes its string similarity evaluations in less time than all nine string similarity methods used for comparison. The Longest Approximately Common Prefix outperforms these nine approximate string matching methods in its Maximum F1 measure when evaluated on three out of the four datasets, and in its average precision on two of the four datasets. PMID:24928653

  14. A simple approximation method for obtaining the spanwise lift distribution

    NASA Technical Reports Server (NTRS)

    Schrenk, O

    1940-01-01

    The approximation method described makes possible lift-distribution computations in a few minutes. Comparison with an exact method shows satisfactory agreement. The method is of greater applicability than the exact method and includes also the important case of the wing with end plates.

  15. Numerical Stability and Convergence of Approximate Methods for Conservation Laws

    NASA Astrophysics Data System (ADS)

    Galkin, V. A.

    We present the new approach to background of approximate methods convergence based on functional solutions theory for conservation laws. The applications to physical kinetics, gas and fluid dynamics are considered.

  16. Discrete approximation methods for parameter identification in delay systems

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1984-01-01

    Approximation schemes for parameter identification problems in which the governing state equation is a linear functional differential equation of retarded type are constructed. The basis of the schemes is the replacement of the parameter identification problem having an infinite dimensional state equation by a sequence of approximating parameter identification problems in which the states are given by finite dimensional discrete difference equations. The difference equations are constructed using linear semigroup theory and rational function approximations to the exponential. Sufficient conditions are given for the convergence of solutions to the approximating problems, which can be obtained using conventional methods, to solutions to the original parameter identification problem. Finite difference and spline based schemes using Paderational function approximations to the exponential are constructed, and shown to satisfy the sufficient conditions for convergence. A discussion and analysis of numerical results obtained through the application of the schemes to several examples is included.

  17. Dual methods and approximation concepts in structural synthesis

    NASA Technical Reports Server (NTRS)

    Fleury, C.; Schmit, L. A., Jr.

    1980-01-01

    Approximation concepts and dual method algorithms are combined to create a method for minimum weight design of structural systems. Approximation concepts convert the basic mathematical programming statement of the structural synthesis problem into a sequence of explicit primal problems of separable form. These problems are solved by constructing explicit dual functions, which are maximized subject to nonnegativity constraints on the dual variables. It is shown that the joining together of approximation concepts and dual methods can be viewed as a generalized optimality criteria approach. The dual method is successfully extended to deal with pure discrete and mixed continuous-discrete design variable problems. The power of the method presented is illustrated with numerical results for example problems, including a metallic swept wing and a thin delta wing with fiber composite skins.

  18. Intermediate boundary conditions for LOD, ADI and approximate factorization methods

    NASA Technical Reports Server (NTRS)

    Leveque, R. J.

    1985-01-01

    A general approach to determining the correct intermediate boundary conditions for dimensional splitting methods is presented. The intermediate solution U is viewed as a second order accurate approximation to a modified equation. Deriving the modified equation and using the relationship between this equation and the original equation allows us to determine the correct boundary conditions for U*. This technique is illustrated by applying it to locally one dimensional (LOD) and alternating direction implicit (ADI) methods for the heat equation in two and three space dimensions. The approximate factorization method is considered in slightly more generality.

  19. Efficient variational Bayesian approximation method based on subspace optimization.

    PubMed

    Zheng, Yuling; Fraysse, Aurélia; Rodet, Thomas

    2015-02-01

    Variational Bayesian approximations have been widely used in fully Bayesian inference for approximating an intractable posterior distribution by a separable one. Nevertheless, the classical variational Bayesian approximation (VBA) method suffers from slow convergence to the approximate solution when tackling large dimensional problems. To address this problem, we propose in this paper a more efficient VBA method. Actually, variational Bayesian issue can be seen as a functional optimization problem. The proposed method is based on the adaptation of subspace optimization methods in Hilbert spaces to the involved function space, in order to solve this optimization problem in an iterative way. The aim is to determine an optimal direction at each iteration in order to get a more efficient method. We highlight the efficiency of our new VBA method and demonstrate its application to image processing by considering an ill-posed linear inverse problem using a total variation prior. Comparisons with state of the art variational Bayesian methods through a numerical example show a notable improvement in computation time. PMID:25532179

  20. Efficient solution of parabolic equations by Krylov approximation methods

    NASA Technical Reports Server (NTRS)

    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.

  1. Multi-level methods and approximating distribution functions

    NASA Astrophysics Data System (ADS)

    Wilson, D.; Baker, R. E.

    2016-07-01

    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. Spin-1 Heisenberg ferromagnet using pair approximation method

    NASA Astrophysics Data System (ADS)

    Mert, Murat; Kılıç, Ahmet; Mert, Gülistan

    2016-06-01

    Thermodynamic properties for Heisenberg ferromagnet with spin-1 on the simple cubic lattice have been calculated using pair approximation method. We introduce the single-ion anisotropy and the next-nearest-neighbor exchange interaction. We found that for negative single-ion anisotropy parameter, the internal energy is positive and heat capacity has two peaks.

  3. Methods to approximate reliabilities in single-step genomic evaluation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Reliability of predictions from single-step genomic BLUP (ssGBLUP) can be calculated by inversion, but that is not feasible for large data sets. Two methods of approximating reliability were developed based on decomposition of a function of reliability into contributions from records, pedigrees, and...

  4. Using Propensity Score Methods to Approximate Factorial Experimental Designs

    ERIC Educational Resources Information Center

    Dong, Nianbo

    2011-01-01

    The purpose of this study is through Monte Carlo simulation to compare several propensity score methods in approximating factorial experimental design and identify best approaches in reducing bias and mean square error of parameter estimates of the main and interaction effects of two factors. Previous studies focused more on unbiased estimates of…

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

    ERIC Educational Resources Information Center

    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…

  6. Approximate iterative operator method for potential-field downward continuation

    NASA Astrophysics Data System (ADS)

    Tai, Zhenhua; Zhang, Fengxu; Zhang, Fengqin; Hao, Mengcheng

    2016-05-01

    An approximate iterative operator method in wavenumber domain was proposed to improve the stability and accuracy of downward continuation of potential fields measured from the ground surface, marine or airborne. Firstly, the generalized iterative formula of downward continuation is derived in wavenumber domain; then, the transformational relationship between horizontal second-order partial derivatives and continuation is derived based on the Taylor series and Laplace equation, to obtain an approximate operator. By introducing this operator to the generalized iterative formula, a rapid algorithm is developed for downward continuation. The filtering and convergence characteristics of this method are analyzed for the purpose of estimating the optimal interval of number of iterations. We demonstrate the proposed method on synthetic data, and the results validate the flexibility of the proposed method. At last, we apply the proposed method to real data, and the results show the proposed method can enhance gravity anomalies generated by concealed orebodies. And in the contour obtained by making our proposed method results continue upward to measured level, the numerical results have approximate distribution and amplitude with original anomalies.

  7. Capturing correlations in chaotic diffusion by approximation methods.

    PubMed

    Knight, Georgie; Klages, Rainer

    2011-10-01

    We investigate three different methods for systematically approximating the diffusion coefficient of a deterministic random walk on the line that contains dynamical correlations that change irregularly under parameter variation. Capturing these correlations by incorporating higher-order terms, all schemes converge to the analytically exact result. Two of these methods are based on expanding the Taylor-Green-Kubo formula for diffusion, while the third method approximates Markov partitions and transition matrices by using a slight variation of the escape rate theory of chaotic diffusion. We check the practicability of the different methods by working them out analytically and numerically for a simple one-dimensional map, study their convergence, and critically discuss their usefulness in identifying a possible fractal instability of parameter-dependent diffusion, in the case of dynamics where exact results for the diffusion coefficient are not available. PMID:22181115

  8. An approximation concepts method for space frame synthesis

    NASA Technical Reports Server (NTRS)

    Mills-Curran, W. C.; Lust, R. V.; Schmit, L. A.

    1982-01-01

    A method is presented for the minimum mass design of three dimensional space frames constructed of thin walled rectangular cross-section members. Constraints on nodal displacements and rotations, material stress, local buckling, and cross sectional dimensions are included. A high quality separable approximate problem is formed in terms of the reciprocals of the four section properties of the frame element cross section, replacing all implicit functions with simplified explicit relations. The cross sectional dimensions are efficiently calculated without using multilevel techniques. Several test problems are solved, demonstrating that a series of approximate problem solutions converge rapidly to an optimal design.

  9. An approximate method for calculating aircraft downwash on parachute trajectories

    SciTech Connect

    Strickland, J.H.

    1989-01-01

    An approximate method for calculating velocities induced by aircraft on parachute trajectories is presented herein. A simple system of quadrilateral vortex panels is used to model the aircraft wing and its wake. The purpose of this work is to provide a simple analytical tool which can be used to approximate the effect of aircraft-induced velocities on parachute performance. Performance issues such as turnover and wake recontact may be strongly influenced by velocities induced by the wake of the delivering aircraft, especially if the aircraft is maneuvering at the time of parachute deployment. 7 refs., 9 figs.

  10. Approximate method of designing a two-element airfoil

    NASA Astrophysics Data System (ADS)

    Abzalilov, D. F.; Mardanov, R. F.

    2011-09-01

    An approximate method is proposed for designing a two-element airfoil. The method is based on reducing an inverse boundary-value problem in a doubly connected domain to a problem in a singly connected domain located on a multisheet Riemann surface. The essence of the method is replacement of channels between the airfoil elements by channels of flow suction and blowing. The shape of these channels asymptotically tends to the annular shape of channels passing to infinity on the second sheet of the Riemann surface. The proposed method can be extended to designing multielement airfoils.

  11. Space-angle approximations in the variational nodal method.

    SciTech Connect

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

    1999-03-12

    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.

  12. An approximate method for residual stress calculation infunctionally graded materials

    SciTech Connect

    Becker, T.L.

    1999-06-02

    Thermal residual stresses in functionally graded materials(FGMs) arise primarily from nonlinear spatial variations in the thermalexpansion coefficient, but can be significantly adjusted by variations inmodulus. Thermoelastic analysis of FGMs is complicated by such modulusgradients. A class of problems for which thermal stress solutions formaterials with constant modulus can be used as a basis for approximationsfor FGMs is discussed. The size of the error in this approximation due togradients in elastic modulus is investigated. Analytical and finiteelement solutions for the thermal stresses in various FGM geometries arecompared to results from this approximate method. In a geometry ofpractical interest, a right cylinder graded along the z-axis, the errorfor a Ni-Al2O3 FGM was found to be within 15 percent for all gradientsconsidered. The form of the approximation makes it easier to identifydesirable types of spatial nonlinearity in expansion coefficient andvariations in modulus: this would allow the manipulation of the locationof compressive stresses.

  13. Studying geomagnetic pulsation characteristics with the local approximation method

    NASA Astrophysics Data System (ADS)

    Getmanov, V. G.; Dabagyan, R. A.; Sidorov, R. V.

    2016-03-01

    A local approximation method based on piecewise sinusoidal models has been proposed in order to study the frequency and amplitude characteristics of geomagnetic pulsations registered at a network of magnetic observatories. It has been established that synchronous variations in the geomagnetic pulsation frequency in the specified frequency band can be studied with the use of calculations performed according to this method. The method was used to analyze the spectral-time structure of Pc3 geomagnetic pulsations registered at the network of equatorial observatories. Local approximation variants have been formed for single-channel and multichannel cases of estimating the geomagnetic pulsation frequency and amplitude, which made it possible to decrease estimation errors via filtering with moving weighted averaging.

  14. Interfacing Relativistic and Nonrelativistic Methods: A Systematic Sequence of Approximations

    NASA Technical Reports Server (NTRS)

    Dyall, Ken; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    A systematic sequence of approximations for the introduction of relativistic effects into nonrelativistic molecular finite-basis set calculations is described. The theoretical basis for the approximations is the normalized elimination of the small component (ESC) within the matrix representation of the modified Dirac equation. The key features of the normalized method are the retention of the relativistic metric and the ability to define a single matrix U relating the pseudo-large and large component coefficient matrices. This matrix is used to define a modified set of one- and two-electron integrals which have the same appearance as the integrals of the Breit-Pauli Hamiltonian. The first approximation fixes the ratios of the large and pseudo-large components to their atomic values, producing an expansion in atomic 4-spinors. The second approximation defines a local fine-structure constant on each atomic centre, which has the physical value for centres considered to be relativistic and zero for nonrelativistic centres. In the latter case, the 4-spinors are the positive-energy kinetic al ly-balanced solutions of the Levy-Leblond equation, and the integrals involving pseudo-large component basis functions on these centres, are set to zero. Some results are presented for test systems to illustrate the various approximations.

  15. Spacecraft Orbit Determination with The B-spline Approximation Method

    NASA Astrophysics Data System (ADS)

    Song, Ye-zhi; Huang, Yong; Hu, Xiao-gong; Li, Pei-jia; Cao, Jian-feng

    2014-04-01

    It is known that the dynamical orbit determination is the most common way to get the precise orbits of spacecraft. However, it is hard to build up the precise dynamical model of spacecraft sometimes. In order to solve this problem, the technique of the orbit determination with the B-spline approximation method based on the theory of function approximation is presented in this article. In order to verify the effectiveness of this method, simulative orbit determinations in the cases of LEO (Low Earth Orbit), MEO (Medium Earth Orbit), and HEO (Highly Eccentric Orbit) satellites are performed, and it is shown that this method has a reliable accuracy and stable solution. The approach can be performed in both the conventional celestial coordinate system and the conventional terrestrial coordinate system. The spacecraft's position and velocity can be calculated directly with the B-spline approximation method, it needs not to integrate the dynamical equations, nor to calculate the state transfer matrix, thus the burden of calculations in the orbit determination is reduced substantially relative to the dynamical orbit determination method. The technique not only has a certain theoretical significance, but also can serve as a conventional algorithm in the spacecraft orbit determination.

  16. Spacecraft Orbit Determination with B Spline Approximation Method

    NASA Astrophysics Data System (ADS)

    Song, Y. Z.; Huang, Y.; Hu, X. G.; Li, P. J.; Cao, J. F.

    2013-07-01

    It is known that the dynamical orbit determination is the most common way to get the precise orbit of spacecraft. However, it is hard to describe the precise orbit of spacecraft sometimes. In order to solve this problem, the technique of the orbit determination with the B spline approximation method based on the theory of function approximation is presented in this article. Several simulation cases of the orbit determination including LEO (Low Earth Orbit), MEO (Medium Earth Orbit), and HEO (Highly Eccentric Orbit) satellites are performed, and it is shown that the accuracy of this method is reliable and stable.The approach can be performed in the conventional celestial coordinate system and conventional terrestrial coordinate system.The spacecraft's position and velocity can be calculated directly with the B spline approximation method, which means that it is unnecessary to integrate the dynamics equations and variational equations. In that case, it makes the calculation amount of orbit determination reduce substantially relative to the dynamical orbit determination method. The technique not only has a certain theoretical significance, but also can be as a conventional algorithm in the spacecraft orbit determination.

  17. Parallel iterative solvers and preconditioners using approximate hierarchical methods

    SciTech Connect

    Grama, A.; Kumar, V.; Sameh, A.

    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.

  18. Novel determination of differential-equation solutions: universal approximation method

    NASA Astrophysics Data System (ADS)

    Leephakpreeda, Thananchai

    2002-09-01

    In a conventional approach to numerical computation, finite difference and finite element methods are usually implemented to determine the solution of a set of differential equations (DEs). This paper presents a novel approach to solve DEs by applying the universal approximation method through an artificial intelligence utility in a simple way. In this proposed method, neural network model (NNM) and fuzzy linguistic model (FLM) are applied as universal approximators for any nonlinear continuous functions. With this outstanding capability, the solutions of DEs can be approximated by the appropriate NNM or FLM within an arbitrary accuracy. The adjustable parameters of such NNM and FLM are determined by implementing the optimization algorithm. This systematic search yields sub-optimal adjustable parameters of NNM and FLM with the satisfactory conditions and with the minimum residual errors of the governing equations subject to the constraints of boundary conditions of DEs. The simulation results are investigated for the viability of efficiently determining the solutions of the ordinary and partial nonlinear DEs.

  19. A multiscale two-point flux-approximation method

    SciTech Connect

    Møyner, Olav Lie, Knut-Andreas

    2014-10-15

    A large number of multiscale finite-volume methods have been developed over the past decade to compute conservative approximations to multiphase flow problems in heterogeneous porous media. In particular, several iterative and algebraic multiscale frameworks that seek to reduce the fine-scale residual towards machine precision have been presented. Common for all such methods is that they rely on a compatible primal–dual coarse partition, which makes it challenging to extend them to stratigraphic and unstructured grids. Herein, we propose a general idea for how one can formulate multiscale finite-volume methods using only a primal coarse partition. To this end, we use two key ingredients that are computed numerically: (i) elementary functions that correspond to flow solutions used in transmissibility upscaling, and (ii) partition-of-unity functions used to combine elementary functions into basis functions. We exemplify the idea by deriving a multiscale two-point flux-approximation (MsTPFA) method, which is robust with regards to strong heterogeneities in the permeability field and can easily handle general grids with unstructured fine- and coarse-scale connections. The method can easily be adapted to arbitrary levels of coarsening, and can be used both as a standalone solver and as a preconditioner. Several numerical experiments are presented to demonstrate that the MsTPFA method can be used to solve elliptic pressure problems on a wide variety of geological models in a robust and efficient manner.

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

    SciTech Connect

    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.

  1. An approximate methods approach to probabilistic structural analysis

    NASA Technical Reports Server (NTRS)

    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.

  2. A Surface Approximation Method for Image and Video Correspondences.

    PubMed

    Huang, Jingwei; Wang, Bin; Wang, Wenping; Sen, Pradeep

    2015-12-01

    Although finding correspondences between similar images is an important problem in image processing, the existing algorithms cannot find accurate and dense correspondences in images with significant changes in lighting/transformation or with the non-rigid objects. This paper proposes a novel method for finding accurate and dense correspondences between images even in these difficult situations. Starting with the non-rigid dense correspondence algorithm [1] to generate an initial correspondence map, we propose a new geometric filter that uses cubic B-Spline surfaces to approximate the correspondence mapping functions for shared objects in both images, thereby eliminating outliers and noise. We then propose an iterative algorithm which enlarges the region containing valid correspondences. Compared with the existing methods, our method is more robust to significant changes in lighting, color, or viewpoint. Furthermore, we demonstrate how to extend our surface approximation method to video editing by first generating a reliable correspondence map between a given source frame and each frame of a video. The user can then edit the source frame, and the changes are automatically propagated through the entire video using the correspondence map. To evaluate our approach, we examine applications of unsupervised image recognition and video texture editing, and show that our algorithm produces better results than those from state-of-the-art approaches. PMID:26241974

  3. An Adaptive Derivative-based Method for Function Approximation

    SciTech Connect

    Tong, C

    2008-10-22

    To alleviate the high computational cost of large-scale multi-physics simulations to study the relationships between the model parameters and the outputs of interest, response surfaces are often used in place of the exact functional relationships. This report explores a method for response surface construction using adaptive sampling guided by derivative information at each selected sample point. This method is especially suitable for applications that can readily provide added information such as gradients and Hessian with respect to the input parameters under study. When higher order terms (third and above) in the Taylor series are negligible, the approximation error for this method can be controlled. We present details of the adaptive algorithm and numerical results on a few test problems.

  4. Proton Form Factor Measurements Using Polarization Method: Beyond Born Approximation

    SciTech Connect

    Pentchev, Lubomir

    2008-10-13

    Significant theoretical and experimental efforts have been made over the past 7 years aiming to explain the discrepancy between the proton form factor ratio data obtained at JLab using the polarization method and the previous Rosenbluth measurements. Preliminary results from the first high precision polarization experiment dedicated to study effects beyond Born approximation will be presented. The ratio of the transferred polarization components and, separately, the longitudinal polarization in ep elastic scattering have been measured at a fixed Q{sup 2} of 2.5 GeV{sup 2} over a wide kinematic range. The two quantities impose constraints on the real part of the ep elastic amplitudes.

  5. Approximate method for controlling solid elastic waves by transformation media

    NASA Astrophysics Data System (ADS)

    Hu, Jin; Chang, Zheng; Hu, Gengkai

    2011-11-01

    By idealizing a general mapping as a series of local affine ones, we derive approximately transformed material parameters necessary to control solid elastic waves within classical elasticity theory. The transformed elastic moduli are symmetric, and can be used with Navier's equation to manipulate elastic waves. It is shown numerically that the method can provide a powerful tool to control elastic waves in solids in case of high frequency or small material gradient. Potential applications can be anticipated in nondestructive testing, structure impact protection, petroleum exploration, and seismology.

  6. Pair approximation method for spin-1 Heisenberg system

    NASA Astrophysics Data System (ADS)

    Mert, Murat; Kılıç, Ahmet; Mert, Gülistan

    2016-03-01

    Spin-1 Heisenberg system on simple cubic lattice is considered in the pair approximation method assuming that the second-nearest-neighbor exchange interaction parameter has a negative value. The system is described in presence of an external magnetic field. The effects of the negative single-ion anisotropy and the negative second-nearest-neighbor exchange interaction on magnetization, internal energy, heat capacity, entropy and free energy are investigated. There are diverse anomalies at low temperature. In the magnetization and other thermodynamic quantities, the first-order phase transitions from ferromagnetic state to antiferromagnetic state and from ferromagnetic state to paramagnetic state have been observed.

  7. Finite amplitude method for the quasiparticle random-phase approximation

    SciTech Connect

    Avogadro, Paolo; Nakatsukasa, Takashi

    2011-07-15

    We present the finite amplitude method (FAM), originally proposed in Ref. [17], for superfluid systems. A Hartree-Fock-Bogoliubov code may be transformed into a code of the quasiparticle-random-phase approximation (QRPA) with simple modifications. This technique has advantages over the conventional QRPA calculations, such as coding feasibility and computational cost. We perform the fully self-consistent linear-response calculation for the spherical neutron-rich nucleus {sup 174}Sn, modifying the hfbrad code, to demonstrate the accuracy, feasibility, and usefulness of the FAM.

  8. Optical properties of electrohydrodynamic convection patterns: rigorous and approximate methods.

    PubMed

    Bohley, Christian; Heuer, Jana; Stannarius, Ralf

    2005-12-01

    We analyze the optical behavior of two-dimensionally periodic structures that occur in electrohydrodynamic convection (EHC) patterns in nematic sandwich cells. These structures are anisotropic, locally uniaxial, and periodic on the scale of micrometers. For the first time, the optics of these structures is investigated with a rigorous method. The method used for the description of the electromagnetic waves interacting with EHC director patterns is a numerical approach that discretizes directly the Maxwell equations. It works as a space-grid-time-domain method and computes electric and magnetic fields in time steps. This so-called finite-difference-time-domain (FDTD) method is able to generate the fields with arbitrary accuracy. We compare this rigorous method with earlier attempts based on ray-tracing and analytical approximations. Results of optical studies of EHC structures made earlier based on ray-tracing methods are confirmed for thin cells, when the spatial periods of the pattern are sufficiently large. For the treatment of small-scale convection structures, the FDTD method is without alternatives. PMID:16396044

  9. Optical properties of electrohydrodynamic convection patterns: rigorous and approximate methods

    NASA Astrophysics Data System (ADS)

    Bohley, Christian; Heuer, Jana; Stannarius, Ralf

    2005-12-01

    We analyze the optical behavior of two-dimensionally periodic structures that occur in electrohydrodynamic convection (EHC) patterns in nematic sandwich cells. These structures are anisotropic, locally uniaxial, and periodic on the scale of micrometers. For the first time, the optics of these structures is investigated with a rigorous method. The method used for the description of the electromagnetic waves interacting with EHC director patterns is a numerical approach that discretizes directly the Maxwell equations. It works as a space-grid-time-domain method and computes electric and magnetic fields in time steps. This so-called finite-difference-time-domain (FDTD) method is able to generate the fields with arbitrary accuracy. We compare this rigorous method with earlier attempts based on ray-tracing and analytical approximations. Results of optical studies of EHC structures made earlier based on ray-tracing methods are confirmed for thin cells, when the spatial periods of the pattern are sufficiently large. For the treatment of small-scale convection structures, the FDTD method is without alternatives.

  10. Approximation method to compute domain related integrals in structural studies

    NASA Astrophysics Data System (ADS)

    Oanta, E.; Panait, C.; Raicu, A.; Barhalescu, M.; Axinte, T.

    2015-11-01

    Various engineering calculi use integral calculus in theoretical models, i.e. analytical and numerical models. For usual problems, integrals have mathematical exact solutions. If the domain of integration is complicated, there may be used several methods to calculate the integral. The first idea is to divide the domain in smaller sub-domains for which there are direct calculus relations, i.e. in strength of materials the bending moment may be computed in some discrete points using the graphical integration of the shear force diagram, which usually has a simple shape. Another example is in mathematics, where the surface of a subgraph may be approximated by a set of rectangles or trapezoids used to calculate the definite integral. The goal of the work is to introduce our studies about the calculus of the integrals in the transverse section domains, computer aided solutions and a generalizing method. The aim of our research is to create general computer based methods to execute the calculi in structural studies. Thus, we define a Boolean algebra which operates with ‘simple’ shape domains. This algebraic standpoint uses addition and subtraction, conditioned by the sign of every ‘simple’ shape (-1 for the shapes to be subtracted). By ‘simple’ shape or ‘basic’ shape we define either shapes for which there are direct calculus relations, or domains for which their frontiers are approximated by known functions and the according calculus is carried out using an algorithm. The ‘basic’ shapes are linked to the calculus of the most significant stresses in the section, refined aspect which needs special attention. Starting from this idea, in the libraries of ‘basic’ shapes, there were included rectangles, ellipses and domains whose frontiers are approximated by spline functions. The domain triangularization methods suggested that another ‘basic’ shape to be considered is the triangle. The subsequent phase was to deduce the exact relations for the

  11. Analytic approximations to the modon dispersion relation. [in oceanography

    NASA Technical Reports Server (NTRS)

    Boyd, J. P.

    1981-01-01

    Three explicit analytic approximations are given to the modon dispersion relation developed by Flierl et al. (1980) to describe Gulf Stream rings and related phenomena in the oceans and atmosphere. The solutions are in the form of k(q), and are developed in the form of a power series in q for small q, an inverse power series in 1/q for large q, and a two-point Pade approximant. The low order Pade approximant is shown to yield a solution for the dispersion relation with a maximum relative error for the lowest branch of the function equal to one in 700 in the q interval zero to infinity.

  12. Atomistic Modeling of Nanostructures via the BFS Quantum Approximate Method

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Garces, Jorge E.; Noebe, Ronald D.; Farias, D.

    2003-01-01

    Ideally, computational modeling techniques for nanoscopic physics would be able to perform free of limitations on the type and number of elements, while providing comparable accuracy when dealing with bulk or surface problems. Computational efficiency is also desirable, if not mandatory, for properly dealing with the complexity of typical nano-strucured systems. A quantum approximate technique, the BFS method for alloys, which attempts to meet these demands, is introduced for the calculation of the energetics of nanostructures. The versatility of the technique is demonstrated through analysis of diverse systems, including multi-phase precipitation in a five element Ni-Al-Ti-Cr-Cu alloy and the formation of mixed composition Co-Cu islands on a metallic Cu(III) substrate.

  13. Multivariate approximation methods and applications to geophysics and geodesy

    NASA Technical Reports Server (NTRS)

    Munteanu, M. J.

    1979-01-01

    The first report in a series is presented which is intended to be written by the author with the purpose of treating a class of approximation methods of functions in one and several variables and ways of applying them to geophysics and geodesy. The first report is divided in three parts and is devoted to the presentation of the mathematical theory and formulas. Various optimal ways of representing functions in one and several variables and the associated error when information is had about the function such as satellite data of different kinds are discussed. The framework chosen is Hilbert spaces. Experiments were performed on satellite altimeter data and on satellite to satellite tracking data.

  14. Methods of approximation of reference fields of different classes

    NASA Astrophysics Data System (ADS)

    Kolesova, Valentina I.

    1993-11-01

    The summary geomagnetic field on the reference field for the regional anomalies is surface of the Earth consists of the follow- the sum of the main geomagnetic field and ing components: the intermediate anomalies. Since the components mentioned above have the F0 = Fm + Fim + Fr + F1 + F (1) different space-spectral characteristics, different methods are used for the analytiwhere cal descriptions. The main geomagnetic field, being the global reference field, is approximated by F0 - the observed geomagnetic field the optimal way as a spherical harmonic Fm - the main geomagnetic field series [1]: Fim - the field of the intermediate anoma- n lies Fr - the field of the regional anomalies X = (g cosm\\ + n=i m=O F1 - the field of the local anomalies, - the external geomagnetic field.

  15. Perturbation Methods and Closure Approximations in Nonlinear Systems.

    NASA Astrophysics Data System (ADS)

    Dubin, Daniel Herschel Eli

    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, we consider the breakdown of invariance due to resonance between drift motion and gyromotion in a tokamak. 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. For small Larmor radius the equations are similar to those of Lee. Several new effects appear which are absent from conventional theories. We show that the wave kinetic equation of Galeev and Sagdeev neglects several important gyrokinetic effects. In the second section, statistical closure theories are applied to simple dynamical systems. We use the logistic map 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 periodicity constraint on a Langevin form of the D.I.A. a new stable closure is developed. The relation between the predictability theory of Kraichnan and the theory of Liapunov exponents is considered. Realizability constraints on the moments of a distribution are formulated using Kuhn-Tucker multipliers. Results are related to the work of Sandri and Kraichnan, but the variational technique employed allows for a more elegant and general approach. The realizability criteria are

  16. An Approximate Matching Method for Clinical Drug Names

    PubMed Central

    Peters, Lee; Kapusnik-Uner, Joan E.; Nguyen, Thang; Bodenreider, Olivier

    2011-01-01

    Objective: To develop an approximate matching method for finding the closest drug names within existing RxNorm content for drug name variants found in local drug formularies. Methods: We used a drug-centric algorithm to determine the closest strings between the RxNorm data set and local variants which failed the exact and normalized string matching searches. Aggressive measures such as token splitting, drug name expansion and spelling correction are used to try and resolve drug names. The algorithm is evaluated against three sets containing a total of 17,164 drug name variants. Results: Mapping of the local variant drug names to the targeted concept descriptions ranged from 83.8% to 92.8% in three test sets. The algorithm identified the appropriate RxNorm concepts as the top candidate in 76.8%, 67.9% and 84.8% of the cases in the three test sets and among the top three candidates in 90–96% of the cases. Conclusion: Using a drug-centric token matching approach with aggressive measures to resolve unknown names provides effective mappings to clinical drug names and has the potential of facilitating the work of drug terminology experts in mapping local formularies to reference terminologies. PMID:22195172

  17. An approximate methods approach to probabilistic structural analysis

    NASA Technical Reports Server (NTRS)

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

    1989-01-01

    A major research and technology program in Probabilistic Structural Analysis Methods (PSAM) is currently being sponsored by the NASA Lewis Research Center with Southwest Research Institute as the prime contractor. This program is motivated by the need to accurately predict structural response in an environment where the loadings, the material properties, and even the structure may be considered random. The heart of PSAM is a software package which combines advanced structural analysis codes with a fast probability integration (FPI) algorithm for the efficient calculation of stochastic structural response. The basic idea of PAAM is simple: make an approximate calculation of system response, including calculation of the associated probabilities, with minimal computation time and cost, based on a simplified representation of the geometry, loads, and material. The deterministic solution resulting should give a reasonable and realistic description of performance-limiting system responses, although some error will be inevitable. If the simple model has correctly captured the basic mechanics of the system, however, including the proper functional dependence of stress, frequency, etc. on design parameters, then the response sensitivities calculated may be of significantly higher accuracy.

  18. Communication: Improved pair approximations in local coupled-cluster methods

    SciTech Connect

    Schwilk, Max; Werner, Hans-Joachim; Usvyat, Denis

    2015-03-28

    In local coupled cluster treatments the electron pairs can be classified according to the magnitude of their energy contributions or distances into strong, close, weak, and distant pairs. Different approximations are introduced for the latter three classes. In this communication, an improved simplified treatment of close and weak pairs is proposed, which is based on long-range cancellations of individually slowly decaying contributions in the amplitude equations. Benchmark calculations for correlation, reaction, and activation energies demonstrate that these approximations work extremely well, while pair approximations based on local second-order Møller-Plesset theory can lead to errors that are 1-2 orders of magnitude larger.

  19. A comparison of computational methods and algorithms for the complex gamma function

    NASA Technical Reports Server (NTRS)

    Ng, E. W.

    1974-01-01

    A survey and comparison of some computational methods and algorithms for gamma and log-gamma functions of complex arguments are presented. Methods and algorithms reported include Chebyshev approximations, Pade expansion and Stirling's asymptotic series. The comparison leads to the conclusion that Algorithm 421 published in the Communications of ACM by H. Kuki is the best program either for individual application or for the inclusion in subroutine libraries.

  20. Production-passage-time approximation: a new approximation method to accelerate the simulation process of enzymatic reactions.

    PubMed

    Kuwahara, Hiroyuki; Myers, Chris J

    2008-09-01

    Given the substantial computational requirements of stochastic simulation, approximation is essential for efficient analysis of any realistic biochemical system. This paper introduces a new approximation method to reduce the computational cost of stochastic simulations of an enzymatic reaction scheme which in biochemical systems often includes rapidly changing fast reactions with enzyme and enzyme-substrate complex molecules present in very small counts. Our new method removes the substrate dissociation reaction by approximating the passage time of the formation of each enzyme-substrate complex molecule which is destined to a production reaction. This approach skips the firings of unimportant yet expensive reaction events, resulting in a substantial acceleration in the stochastic simulations of enzymatic reactions. Additionally, since all the parameters used in our new approach can be derived by the Michaelis-Menten parameters which can actually be measured from experimental data, applications of this approximation can be practical even without having full knowledge of the underlying enzymatic reaction. Here, we apply this new method to various enzymatic reaction systems, resulting in a speedup of orders of magnitude in temporal behavior analysis without any significant loss in accuracy. Furthermore, we show that our new method can perform better than some of the best existing approximation methods for enzymatic reactions in terms of accuracy and efficiency. PMID:18662102

  1. A method of approximating range size of small mammals

    USGS Publications Warehouse

    Stickel, L.F.

    1965-01-01

    In summary, trap success trends appear to provide a useful approximation to range size of easily trapped small mammals such as Peromyscus. The scale of measurement can be adjusted as desired. Further explorations of the usefulness of the plan should be made and modifications possibly developed before adoption.

  2. Stochastic Approximation Methods for Latent Regression Item Response Models

    ERIC Educational Resources Information Center

    von Davier, Matthias; Sinharay, Sandip

    2010-01-01

    This article presents an application of a stochastic approximation expectation maximization (EM) algorithm using a Metropolis-Hastings (MH) sampler to estimate the parameters of an item response latent regression model. Latent regression item response models are extensions of item response theory (IRT) to a latent variable model with covariates…

  3. Approximate Green's function methods for HZE transport in multilayered materials

    NASA Technical Reports Server (NTRS)

    Wilson, John W.; Badavi, Francis F.; Shinn, Judy L.; Costen, Robert C.

    1993-01-01

    A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport in multilayered materials. The code is established to operate on the Langley nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code was found to be highly efficient and compared well with the perturbation approximation.

  4. Study of hybrid methods for approximating the Edgeworth-Pareto hull in nonlinear multicriteria optimization problems

    NASA Astrophysics Data System (ADS)

    Berezkin, V. E.; Lotov, A. V.; Lotova, E. A.

    2014-06-01

    Methods for approximating the Edgeworth-Pareto hull (EPH) of the set of feasible criteria vectors in nonlinear multicriteria optimization problems are examined. The relative efficiency of two EPH approximation methods based on classical methods of searching for local extrema of convolutions of criteria is experimentally studied for a large-scale applied problem (with several hundred variables). A hybrid EPH approximation method combining classical and genetic approximation methods is considered.

  5. Approximate methods for building extreme mass ratio inspiral waveforms

    NASA Astrophysics Data System (ADS)

    Hughes, Scott

    2007-04-01

    The ``extreme mass ratio inspiral'' (or EMRI) problem has captured much attention in recent years. This is due to its relevance at describing a potentially important gravitational-wave source, and to the elegance of techniques which are being developed to solve it. A complete, self-consistent solution to this problem will require detailed knowledge of the self-interaction of a small body orbiting a Kerr black hole, taken (at least in part) to second order. This challenge will consume much time and effort. In the meantime, there is an exigent need for waveforms which, though not correct in all details, are sufficiently reliable that they can be used to understand how to measure these waves with space-based gravitational-wave antennae. I will describe in this talk results from a crude but surprisingly effective ``kludge'' approximation. The kludge produces waves which match well with available strong-field results, requiring only a fraction of the computational effort. Motivated by how the kludge operates, I will argue that a good medium between the kludge and the full solution is a ``hybrid'' approach to waveform generation. This hybrid combines the best features of both time and frequency domain approaches to black hole perturbation theory, using them to make EMRI waves that are as accurate as is possible without incorporating self-force information.

  6. Method for calculating multiphoton above-threshold processes in atoms: Two-photon above-threshold ionization

    SciTech Connect

    Manakov, N. L. Marmo, S. I.; Sviridov, S. A.

    2009-04-15

    The two-photon above-threshold ionization of atoms is calculated using numerical algorithms of the Pade approximation in the model-potential method with the Coulomb asymptotics. The total and differential cross sections of the above-threshold ionization of helium and alkali metal atoms by elliptically polarized radiation are presented. The dependence of the angular distribution of photoelectrons on the sign of the ellipticity of radiation (the elliptic dichroism phenomenon) is analyzed in the above-threshold frequency range.

  7. On an approximate method for the delay logistic equation

    NASA Astrophysics Data System (ADS)

    Röst, Gergely

    2011-09-01

    This note concerns with the asymptotic properties of solutions of the delay logistic equation. In particular, we point out some false statements in the recent paper Khan et al. [Khan H, Liao SJ, Mohapatra RN, Vajravelu K. An analytical solution for a nonlinear time-delay model in biology. Commun Nonlinear Sci Numer Simulat 2009;14:3141-3148]. Moreover, we show that the author's method is not able to reveal the basic and important features of the dynamics of the delay logistic equation, and gives misleading results.

  8. SET: a pupil detection method using sinusoidal approximation

    PubMed Central

    Javadi, Amir-Homayoun; Hakimi, Zahra; Barati, Morteza; Walsh, Vincent; Tcheang, Lili

    2015-01-01

    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). PMID:25914641

  9. SET: a pupil detection method using sinusoidal approximation.

    PubMed

    Javadi, Amir-Homayoun; Hakimi, Zahra; Barati, Morteza; Walsh, Vincent; Tcheang, Lili

    2015-01-01

    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). PMID:25914641

  10. Computation of atmospheric cooling rates by exact and approximate methods

    NASA Technical Reports Server (NTRS)

    Ridgway, William L.; HARSHVARDHAN; Arking, Albert

    1991-01-01

    Infrared fluxes and cooling rates for several standard model atmospheres, with and without water vapor, carbon dioxide, and ozone, have been calculated using a line-by-line method at 0.01/cm resolution. The sensitivity of the results to the vertical integration scheme and to the model for water vapor continuum absorption is shown. Comparison with similar calculations performed at NOAA/GFDL shows agreement to within 0.5 W/sq m in fluxes at various levels and 0.05 K/d in cooling rates. Comparison with a fast, parameterized radiation code used in climate models reveals a worst case difference, when all gases are included, of 3.7 W/sq m in flux; cooling rate differences are 0.1 K/d or less when integrated over a substantial layer with point differences as large as 0.3 K/d.

  11. Lubrication approximation in completed double layer boundary element method

    NASA Astrophysics Data System (ADS)

    Nasseri, S.; Phan-Thien, N.; Fan, X.-J.

    This paper reports on the results of the numerical simulation of the motion of solid spherical particles in shear Stokes flows. Using the completed double layer boundary element method (CDLBEM) via distributed computing under Parallel Virtual Machine (PVM), the effective viscosity of suspension has been calculated for a finite number of spheres in a cubic array, or in a random configuration. In the simulation presented here, the short range interactions via lubrication forces are also taken into account, via the range completer in the formulation, whenever the gap between two neighbouring particles is closer than a critical gap. The results for particles in a simple cubic array agree with the results of Nunan and Keller (1984) and Stoksian Dynamics of Brady etal. (1988). To evaluate the lubrication forces between particles in a random configuration, a critical gap of 0.2 of particle's radius is suggested and the results are tested against the experimental data of Thomas (1965) and empirical equation of Krieger-Dougherty (Krieger, 1972). Finally, the quasi-steady trajectories are obtained for time-varying configuration of 125 particles.

  12. Algebraic filter approach for fast approximation of nonlinear tomographic reconstruction methods

    NASA Astrophysics Data System (ADS)

    Plantagie, Linda; Batenburg, Kees Joost

    2015-01-01

    We present a computational approach for fast approximation of nonlinear tomographic reconstruction methods by filtered backprojection (FBP) methods. Algebraic reconstruction algorithms are the methods of choice in a wide range of tomographic applications, yet they require significant computation time, restricting their usefulness. We build upon recent work on the approximation of linear algebraic reconstruction methods and extend the approach to the approximation of nonlinear reconstruction methods which are common in practice. We demonstrate that if a blueprint image is available that is sufficiently similar to the scanned object, our approach can compute reconstructions that approximate iterative nonlinear methods, yet have the same speed as FBP.

  13. Convergence of hausdorff approximation methods for the Edgeworth-Pareto hull of a compact set

    NASA Astrophysics Data System (ADS)

    Efremov, R. V.

    2015-11-01

    The Hausdorff methods comprise an important class of polyhedral approximation methods for convex compact bodies, since they have an optimal convergence rate and possess other useful properties. The concept of Hausdorff methods is extended to a problem arising in multicriteria optimization, namely, to the polyhedral approximation of the Edgeworth-Pareto hull (EPH) of a convex compact set. It is shown that the sequences of polyhedral sets generated by Hausdorff methods converge to the EPH to be approximated. It is shown that the Estimate Refinement method, which is most frequently used to approximate the EPH of convex compact sets, is a Hausdorff method and, hence, generates sequences of sets converging to the EPH.

  14. Method for constructing approximate analytic solutions of differential equations with a polynomial right-hand side

    NASA Astrophysics Data System (ADS)

    Afanas'ev, A. P.; Dzyuba, S. M.

    2015-10-01

    A method for constructing approximate analytic solutions of systems of ordinary differential equations with a polynomial right-hand side is proposed. The implementation of the method is based on the Picard method of successive approximations and a procedure of continuation of local solutions. As an application, the problem of constructing the minimal sets of the Lorenz system is considered.

  15. Assessment of presentation methods for ReFace computerized facial approximations.

    PubMed

    Richard, Adam H; Parks, Connie L; Monson, Keith L

    2014-09-01

    Facial approximations (whether clay sculptures, sketches, or computer-generated) can be presented to the public in a variety of layouts, but there are currently no clear indicators as to what style of presentation is most effective at eliciting recognition. The primary purpose of this study is to determine which of five presentation methods produces the most favorable recognition results. A secondary goal of the research is to evaluate a new method for assessing the accuracy of facial approximations. Previous studies have evaluated facial approximation effectiveness using standards similar to studies of eyewitness identification in which a single, definitive choice must be made by the research participant. These criteria seem inappropriate given that facial approximation is strictly an investigative tool to help narrow the search for potential matching candidates in the process of identification. Results from the study showed a higher performance for methods utilizing more than one image of the approximation, but which specific method performed best varied among approximation subjects. Also, results for all five presentation methods showed that, when given the opportunity to select more than one approximation, participants were consistently better at identifying the correct approximation as one of a few possible matches to the missing person than they were at singling out the correct approximation. This suggests that facial approximations have perhaps been undervalued as investigative tools in previous research. PMID:25128751

  16. Beam propagation method using a [(p- 1)/ p] Padé approximant of the propagator.

    PubMed

    Lu, Ya Yan; Ho, Pui Lin

    2002-05-01

    A new beam propagation method (BPM) is developed based on a direct approximation to the propagator by its [(p-1)/p] Padé approximant. The approximant is simple to construct and has the desired damping effect for the evanescent modes. The method is applied to a tapered waveguide for TM-polarized waves, based on the energy-conserving improvement of the one-way Helmholtz equation. Numerical results are compared with those obtained with other variants of the BPM. PMID:18007898

  17. An approximate method for sonic fatigue analysis of plates and shells

    NASA Astrophysics Data System (ADS)

    Blevins, R. D.

    1989-02-01

    Approximate analytical methods are developed for determining the response of plate and shell structures to coherent sound fields. The methods are based on separating the spatial and temporal aspects of the problem and then developing approximations for both. Direct comparison is made with experimental data.

  18. Mechanical System Reliability and Cost Integration Using a Sequential Linear Approximation Method

    NASA Technical Reports Server (NTRS)

    Kowal, Michael T.

    1997-01-01

    The development of new products is dependent on product designs that incorporate high levels of reliability along with a design that meets predetermined levels of system cost. Additional constraints on the product include explicit and implicit performance requirements. Existing reliability and cost prediction methods result in no direct linkage between variables affecting these two dominant product attributes. A methodology to integrate reliability and cost estimates using a sequential linear approximation method is proposed. The sequential linear approximation method utilizes probability of failure sensitivities determined from probabilistic reliability methods as well a manufacturing cost sensitivities. The application of the sequential linear approximation method to a mechanical system is demonstrated.

  19. Trajectory Optimization Using Adjoint Method and Chebyshev Polynomial Approximation for Minimizing Fuel Consumption During Climb

    NASA Technical Reports Server (NTRS)

    Nguyen, Nhan T.; Hornby, Gregory; Ishihara, Abe

    2013-01-01

    This paper describes two methods of trajectory optimization to obtain an optimal trajectory of minimum-fuel- to-climb for an aircraft. The first method is based on the adjoint method, and the second method is based on a direct trajectory optimization method using a Chebyshev polynomial approximation and cubic spine approximation. The approximate optimal trajectory will be compared with the adjoint-based optimal trajectory which is considered as the true optimal solution of the trajectory optimization problem. The adjoint-based optimization problem leads to a singular optimal control solution which results in a bang-singular-bang optimal control.

  20. The Subspace Projected Approximate Matrix (SPAM) modification of the Davidson method

    SciTech Connect

    Shepard, R.; Tilson, J.L.; Wagner, A.F.; Minkoff, M.

    1997-12-31

    A modification of the Davidson subspace expansion method, a Ritz approach, is proposed in which the expansion vectors are computed from a {open_quotes}cheap{close_quotes} approximating eigenvalue equation. This approximate eigenvalue equation is assembled using projection operators constructed from the subspace expansion vectors. The method may be implemented using an inner/outer iteration scheme, or it may be implemented by modifying the usual Davidson algorithm in such a way that exact and approximate matrix-vector product computations are intersperced. A multi-level algorithm is proposed in which several levels of approximate matrices are used.

  1. Method of successive approximations for the solution of certain problems in aerodynamics

    NASA Technical Reports Server (NTRS)

    Shvets, M E

    1951-01-01

    A method of successive approximations for the solution of problems in the fields of diffusion, boundary-layer flow, and heat-transfer is illustrated by solving problems in each of these fields. In most of the examples, the approximate solutions are compared with known accurate solutions and the agreement is shown to be good.

  2. Approximate Method of Calculating Heating Rates at General Three-Dimensional Stagnation Points During Atmospheric Entry

    NASA Technical Reports Server (NTRS)

    Hamilton, H. H., II

    1982-01-01

    An approximate method for calculating heating rates at general three dimensional stagnation points is presented. The application of the method for making stagnation point heating calculations during atmospheric entry is described. Comparisons with results from boundary layer calculations indicate that the method should provide an accurate method for engineering type design and analysis applications.

  3. Extension of the weak-line approximation and application to correlated-k methods

    SciTech Connect

    Conley, A.J.; Collins, W.D.

    2011-03-15

    Global climate models require accurate and rapid computation of the radiative transfer through the atmosphere. Correlated-k methods are often used. One of the approximations used in correlated-k models is the weakline approximation. We introduce an approximation T/sub g/ which reduces to the weak-line limit when optical depths are small, and captures the deviation from the weak-line limit as the extinction deviates from the weak-line limit. This approximation is constructed to match the first two moments of the gamma distribution to the k-distribution of the transmission. We compare the errors of the weak-line approximation with T/sub g/ in the context of a water vapor spectrum. The extension T/sub g/ is more accurate and converges more rapidly than the weak-line approximation.

  4. Test particle propagation in magnetostatic turbulence. 2: The local approximation method

    NASA Technical Reports Server (NTRS)

    Klimas, A. J.; Sandri, G.; Scudder, J. D.; Howell, D. R.

    1976-01-01

    An approximation method for statistical mechanics is presented and applied to a class of problems which contains a test particle propagation problem. All of the available basic equations used in statistical mechanics are cast in the form of a single equation which is integrodifferential in time and which is then used as the starting point for the construction of the local approximation method. Simplification of the integrodifferential equation is achieved through approximation to the Laplace transform of its kernel. The approximation is valid near the origin in the Laplace space and is based on the assumption of small Laplace variable. No other small parameter is necessary for the construction of this approximation method. The n'th level of approximation is constructed formally, and the first five levels of approximation are calculated explicitly. It is shown that each level of approximation is governed by an inhomogeneous partial differential equation in time with time independent operator coefficients. The order in time of these partial differential equations is found to increase as n does. At n = 0 the most local first order partial differential equation which governs the Markovian limit is regained.

  5. An efficient implementation of the Chebyshev Rational Approximation Method (CRAM) for solving the burnup equations

    SciTech Connect

    Pusa, M.; Leppaenen, J.

    2012-07-01

    The Chebyshev Rational Approximation Method (CRAM) has been recently introduced by the authors for solving the burnup equations with excellent results. This method has been shown to be capable of simultaneously solving an entire burnup system with thousands of nuclides both accurately and efficiently. The method was prompted by an analysis of the spectral properties of burnup matrices and it can be characterized as the best rational approximation on the negative real axis. The coefficients of the rational approximation are fixed and have been reported for various approximation orders. In addition to these coefficients, implementing the method only requires a linear solver. This paper describes an efficient method for solving the linear systems associated with the CRAM approximation. The introduced direct method is based on sparse Gaussian elimination where the sparsity pattern of the resulting upper triangular matrix is determined before the numerical elimination phase. The stability of the proposed Gaussian elimination method is discussed based on considering the numerical properties of burnup matrices. Suitable algorithms are presented for computing the symbolic factorization and numerical elimination in order to facilitate the implementation of CRAM and its adoption into routine use. The accuracy and efficiency of the described technique are demonstrated by computing the CRAM approximations for a large test case with over 1600 nuclides. (authors)

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

    PubMed

    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. PMID:27250122

  7. Efficiency of the estimate refinement method for polyhedral approximation of multidimensional balls

    NASA Astrophysics Data System (ADS)

    Kamenev, G. K.

    2016-05-01

    The estimate refinement method for the polyhedral approximation of convex compact bodies is analyzed. When applied to convex bodies with a smooth boundary, this method is known to generate polytopes with an optimal order of growth of the number of vertices and facets depending on the approximation error. In previous studies, for the approximation of a multidimensional ball, the convergence rates of the method were estimated in terms of the number of faces of all dimensions and the cardinality of the facial structure (the norm of the f-vector) of the constructed polytope was shown to have an optimal rate of growth. In this paper, the asymptotic convergence rate of the method with respect to faces of all dimensions is compared with the convergence rate of best approximation polytopes. Explicit expressions are obtained for the asymptotic efficiency, including the case of low dimensions. Theoretical estimates are compared with numerical results.

  8. Approximate Analytical Solutions of the Regularized Long Wave Equation Using the Optimal Homotopy Perturbation Method

    PubMed Central

    Căruntu, Bogdan

    2014-01-01

    The paper presents the optimal homotopy perturbation method, which is a new method to find approximate analytical solutions for nonlinear partial differential equations. Based on the well-known homotopy perturbation method, the optimal homotopy perturbation method presents an accelerated convergence compared to the regular homotopy perturbation method. The applications presented emphasize the high accuracy of the method by means of a comparison with previous results. PMID:25003150

  9. Using the Bollen-Stine Bootstrapping Method for Evaluating Approximate Fit Indices

    PubMed Central

    Kim, Hanjoe; Millsap, Roger

    2014-01-01

    Accepting that a model will not exactly fit any empirical data, global approximate fit indices quantify the degree of misfit. Recent research (Chen et al., 2008) has shown that using fixed conventional cut-points for approximate fit indices can lead to decision errors. Instead of using fixed cut-points for evaluating approximate fit indices, this study focuses on the meaning of approximate fit and introduces a new method to evaluate approximate fit indices. Millsap (2012) introduced a simulation-based method to evaluate approximate fit indices. A limitation of Millsap’s work was that a rather strong assumption of multivariate normality was implied in generating simulation data. In this study, the Bollen-Stine bootstrapping procedure (Bollen & Stine, 1993) is proposed to supplement the former study. When data are non-normal, the conclusions derived from Millsap’s (2012) simulation method and the Bollen-Stine method can differ. Examples are given to illustrate the use of the Bollen-Stine bootstrapping procedure for evaluating RMSEA. Comparisons are made with the simulation method. The results are discussed, and suggestions are given for the use of proposed method. PMID:25558095

  10. Approximation of probability density functions by the Multilevel Monte Carlo Maximum Entropy method

    NASA Astrophysics Data System (ADS)

    Bierig, Claudio; Chernov, Alexey

    2016-06-01

    We develop a complete convergence theory for the Maximum Entropy method based on moment matching for a sequence of approximate statistical moments estimated by the Multilevel Monte Carlo method. Under appropriate regularity assumptions on the target probability density function, the proposed method is superior to the Maximum Entropy method with moments estimated by the Monte Carlo method. New theoretical results are illustrated in numerical examples.

  11. Approximate methods to calculate radionuclide discharges for performance assessment of HLW repositories in fractured rock

    SciTech Connect

    Erickson, K.L.; Chu, M.S.Y.; Siegel, M.D.; Beyeler, W.

    1986-12-31

    Three approximate methods appear useful for calculating radionuclide discharges in fractured, porous rock: (1) a semi-infinite-medium approximation where radionuclide diffusion rates into the matrix are calculated assuming a semi-infinite matrix; (2) a linear-driving-force approximation where radionuclide diffusion rates into the matrix are assumed to be proportional to the difference between bulk concentrations in the fracture fluid and in the matrix pore water; and (3) an equivalent-porous-medium approximation where radionuclide diffusion rates into the matrix are calculated assuming that the time rate of change of the bulk radionuclide concentration in the matrix is proportional to the time rate of change of the radionuclide concentration in the fracture fluid. A preliminary evaluation of these approximations was made by considering transport of a single radionuclide in saturated, porous rock containing uniform, parallel fractures.

  12. An approximate method for design and analysis of an ALOHA system

    NASA Technical Reports Server (NTRS)

    Kobayashi, H.; Onozato, Y.; Huynh, D.

    1977-01-01

    An approximate method for the design and performance prediction of a multiaccess communication system which employs the ALOHA packet-switching technique is developed, based on the use of a diffusion process approximation of an ALOHA-like system (with or without time-slotting). A simple closed-form solution for the variable Q(t), a variant of the number of backlog messages at time t, is given in terms of a few system and user parameters. Final results are expressed in terms of ordinary performance measures such as throughput and average delay. Several numerical examples are given to demonstrate the usefulness of the approximation technique developed.

  13. Approximate Solution of Time-Fractional Advection-Dispersion Equation via Fractional Variational Iteration Method

    PubMed Central

    İbiş, Birol

    2014-01-01

    This paper aims to obtain the approximate solution of time-fractional advection-dispersion equation (FADE) involving Jumarie's modification of Riemann-Liouville derivative by the fractional variational iteration method (FVIM). FVIM provides an analytical approximate solution in the form of a convergent series. Some examples are given and the results indicate that the FVIM is of high accuracy, more efficient, and more convenient for solving time FADEs. PMID:24578662

  14. Approximate solution of time-fractional advection-dispersion equation via fractional variational iteration method.

    PubMed

    Ibiş, Birol; Bayram, Mustafa

    2014-01-01

    This paper aims to obtain the approximate solution of time-fractional advection-dispersion equation (FADE) involving Jumarie's modification of Riemann-Liouville derivative by the fractional variational iteration method (FVIM). FVIM provides an analytical approximate solution in the form of a convergent series. Some examples are given and the results indicate that the FVIM is of high accuracy, more efficient, and more convenient for solving time FADEs. PMID:24578662

  15. Approximation and error estimation in high dimensional space for stochastic collocation methods on arbitrary sparse samples

    SciTech Connect

    Archibald, Richard K; Deiterding, Ralf; Hauck, Cory D; Jakeman, John D; Xiu, Dongbin

    2012-01-01

    We have develop a fast method that can capture piecewise smooth functions in high dimensions with high order and low computational cost. This method can be used for both approximation and error estimation of stochastic simulations where the computations can either be guided or come from a legacy database.

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

    NASA Astrophysics Data System (ADS)

    Svetov, Ivan; Maltseva, Svetlana; Polyakova, Anna

    2016-08-01

    We propose a numerical solution of reconstruction problem of a two-dimensional vector field in a unit disk from the known values of the longitudinal and transverse ray transforms. The algorithm is based on the method of approximate inverse. Numerical simulations confirm that the proposed method yields good results of reconstruction of vector fields.

  17. The uniform asymptotic swallowtail approximation - Practical methods for oscillating integrals with four coalescing saddle points

    NASA Technical Reports Server (NTRS)

    Connor, J. N. L.; Curtis, P. R.; Farrelly, D.

    1984-01-01

    Methods that can be used in the numerical implementation of the uniform swallowtail approximation are described. An explicit expression for that approximation is presented to the lowest order, showing that there are three problems which must be overcome in practice before the approximation can be applied to any given problem. It is shown that a recently developed quadrature method can be used for the accurate numerical evaluation of the swallowtail canonical integral and its partial derivatives. Isometric plots of these are presented to illustrate some of their properties. The problem of obtaining the arguments of the swallowtail integral from an analytical function of its argument is considered, describing two methods of solving this problem. The asymptotic evaluation of the butterfly canonical integral is addressed.

  18. Quantum Approximate Methods for the Atomistic Modeling of Multicomponent Alloys. Chapter 7

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Garces, Jorge; Mosca, Hugo; Gargano, pablo; Noebe, Ronald D.; Abel, Phillip

    2007-01-01

    This chapter describes the role of quantum approximate methods in the understanding of complex multicomponent alloys at the atomic level. The need to accelerate materials design programs based on economical and efficient modeling techniques provides the framework for the introduction of approximations and simplifications in otherwise rigorous theoretical schemes. As a promising example of the role that such approximate methods might have in the development of complex systems, the BFS method for alloys is presented and applied to Ru-rich Ni-base superalloys and also to the NiAI(Ti,Cu) system, highlighting the benefits that can be obtained from introducing simple modeling techniques to the investigation of such complex systems.

  19. Approximate two layer (inviscid/viscous) methods to model aerothermodynamic environments

    NASA Technical Reports Server (NTRS)

    Dejarnette, Fred R.

    1992-01-01

    Approximate inviscid and boundary layer techniques for aerodynamic heating calculations are discussed. An inviscid flowfield solution is needed to provide surface pressures and boundary-layer edge properties. Modified Newtonian pressures coupled with an approximate shock shape will suffice for relatively simple shapes like sphere-cones with cone half-angles between 15 and 45 deg. More accurate approximate methods have been developed which make use of modified Maslen techniques. Slender and large angle sphere-cones and more complex shapes generally require an Euler code, like HALIS, to provide that information. The boundary-layer solution is reduced significantly by using the axisymmetric analog and approximate heating relations developed by Zoby, et al. (1981). Analysis is presented for the calculation of inviscid surface streamlines and metrics. Entropy-layer swallowing effects require coupling the inviscid and boundary-layer solutions.

  20. An Extension of the Krieger-Li-Iafrate Approximation to the Optimized-Effective-Potential Method

    SciTech Connect

    Wilson, B.G.

    1999-11-11

    The Krieger-Li-Iafrate approximation can be expressed as the zeroth order result of an unstable iterative method for solving the integral equation form of the optimized-effective-potential method. By pre-conditioning the iterate a first order correction can be obtained which recovers the bulk of quantal oscillations missing in the zeroth order approximation. A comparison of calculated total energies are given with Krieger-Li-Iafrate, Local Density Functional, and Hyper-Hartree-Fock results for non-relativistic atoms and ions.

  1. A numerical method of finding potentiometric titration end-points by use of approximative spline functions.

    PubMed

    Ren, K

    1990-07-01

    A new numerical method of determining potentiometric titration end-points is presented. It consists in calculating the coefficients of approximative spline functions describing the experimental data (e.m.f., volume of titrant added). The end-point (the inflection point of the curve) is determined by calculating zero points of the second derivative of the approximative spline function. This spline function, unlike rational spline functions, is free from oscillations and its course is largely independent of random errors in e.m.f. measurements. The proposed method is useful for direct analysis of titration data and especially as a basis for construction of microcomputer-controlled automatic titrators. PMID:18964999

  2. Approximation methods for control of acoustic/structure models with piezoceramic actuators

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Fang, W.; Silcox, R. J.; Smith, R. C.

    1991-01-01

    The active control of acoustic pressure in a 2-D cavity with a flexible boundary (a beam) is considered. Specifically, this control is implemented via piezoceramic patches on the beam which produces pure bending moments. The incorporation of the feedback control in this manner leads to a system with an unbounded input term. Approximation methods in this manner leads to a system with an unbounded input term. Approximation methods in the context of linear quadratic regulator (LQR) state space control formulation are discussed and numerical results demonstrating the effectiveness of this approach in computing feedback controls for noise reduction are presented.

  3. A sequential method for spline approximation with variable knots. [recursive piecewise polynomial signal processing

    NASA Technical Reports Server (NTRS)

    Mier Muth, A. M.; Willsky, A. S.

    1978-01-01

    In this paper we describe a method for approximating a waveform by a spline. The method is quite efficient, as the data are processed sequentially. The basis of the approach is to view the approximation problem as a question of estimation of a polynomial in noise, with the possibility of abrupt changes in the highest derivative. This allows us to bring several powerful statistical signal processing tools into play. We also present some initial results on the application of our technique to the processing of electrocardiograms, where the knot locations themselves may be some of the most important pieces of diagnostic information.

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

    PubMed

    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. PMID:27006884

  5. Model reference adaptive control in fractional order systems using discrete-time approximation methods

    NASA Astrophysics Data System (ADS)

    Abedini, Mohammad; Nojoumian, Mohammad Ali; Salarieh, Hassan; Meghdari, Ali

    2015-08-01

    In this paper, model reference control of a fractional order system has been discussed. In order to control the fractional order plant, discrete-time approximation methods have been applied. Plant and reference model are discretized by Grünwald-Letnikov definition of the fractional order derivative using "Short Memory Principle". Unknown parameters of the fractional order system are appeared in the discrete time approximate model as combinations of parameters of the main system. The discrete time MRAC via RLS identification is modified to estimate the parameters and control the fractional order plant. Numerical results show the effectiveness of the proposed method of model reference adaptive control.

  6. Spectral approximation to advection-diffusion problems by the fictitious interface method

    NASA Astrophysics Data System (ADS)

    Frati, A.; Pasquarelli, F.; Quarteroni, A.

    1993-08-01

    The algorithmic aspects of the 'fictitious interface' method used in numerical approximations of convection-dominated flows are discussed. The solution algorithm presented alternates the advection-equation solution with that of the advection-diffusion equation within complementary subdomains. For the problems presently considered, spatial discretization is obtained by the spectral collocation method via Legendre-Gaussian modes. Attention is given to the the fictitious interface method's application to the Burgers equation.

  7. Fast range-corrected proton dose approximation method using prior dose distribution

    NASA Astrophysics Data System (ADS)

    Park, Peter C.; Cheung, Joey; Zhu, X. Ronald; Sahoo, Narayan; Court, Laurence; Dong, Lei

    2012-06-01

    For robust plan optimization and evaluation purposes, one needs a computationally efficient way to calculate dose distributions and dose-volume histograms (DVHs) under various changes in the variables associated with beam delivery and images. In this study, we report an approximate method for rapid calculation of dose when setup errors and anatomical changes occur during proton therapy. This fast dose approximation method calculates new dose distributions under various circumstances based on the prior knowledge of dose distribution from a reference setting. In order to validate the method, we calculated and compared the dose distributions from our approximation method to the dose distributions calculated from a clinically commissioned treatment planning system which was used as the ground truth. The overall accuracy of the proposed method was tested against varying degrees of setup error and anatomical deformation for selected patient cases. The setup error was simulated by rigid shifts of the patient; while the anatomical deformation was introduced using weekly acquired repeat CT data sets. We evaluated the agreement between the dose approximation method and full dose recalculation using a 3D gamma index and the root-mean-square (RMS) and maximum deviation of the cumulative dose volume histograms (cDVHs). The average passing rate of 3D gamma analysis under 3% dose and 3 mm distance-to-agreement criteria were 96% and 89% for setup errors and severe anatomy changes, respectively. The average of RMS and maximum deviation of the cDVHs under the setup error was 0.5% and 1.5%, respectively for all structures considered. Similarly, the average of RMS and maximum deviations under the weekly anatomical change were 0.6% and 2.7%, respectively. Our results show that the fast dose approximation method was able to account for the density variation of the patient due to the setup and anatomical changes with acceptable accuracy while significantly improving the computation time.

  8. Global collocation methods for approximation and the solution of partial differential equations

    NASA Technical Reports Server (NTRS)

    Solomonoff, A.; Turkel, E.

    1986-01-01

    Polynomial interpolation methods are applied both to the approximation of functions and to the numerical solutions of hyperbolic and elliptic partial differential equations. The derivative matrix for a general sequence of the collocation points is constructed. The approximate derivative is then found by a matrix times vector multiply. The effects of several factors on the performance of these methods including the effect of different collocation points are then explored. The resolution of the schemes for both smooth functions and functions with steep gradients or discontinuities in some derivative are also studied. The accuracy when the gradients occur both near the center of the region and in the vicinity of the boundary is investigated. The importance of the aliasing limit on the resolution of the approximation is investigated in detail. Also examined is the effect of boundary treatment on the stability and accuracy of the scheme.

  9. An approximate method for solution to variable moment of inertia problems

    NASA Technical Reports Server (NTRS)

    Beans, E. W.

    1981-01-01

    An approximation method is presented for reducing a nonlinear differential equation (for the 'weather vaning' motion of a wind turbine) to an equivalent constant moment of inertia problem. The integrated average of the moment of inertia is determined. Cycle time was found to be the equivalent cycle time if the rotating speed is 4 times greater than the system's minimum natural frequency.

  10. On increasing the efficiency of the modified method of S-approximations

    NASA Astrophysics Data System (ADS)

    Stepanova, I. E.; Raevskiy, D. N.; Shchepetilov, A. V.

    2016-01-01

    An advanced method for solving the system of linear algebraic equations (SLAE) based on the application of Chebyshev polynomials is described. The modified S-approximations of the elements of gravity field are found by the efficient approaches applied to the solution of SLAE that describes the geophysically informative problem. The results of the mathematical experiment are presented.

  11. Nonlinear programming extensions to rational function approximation methods for unsteady aerodynamic forces

    NASA Technical Reports Server (NTRS)

    Tiffany, Sherwood H.; Adams, William M., Jr.

    1988-01-01

    The approximation of unsteady generalized aerodynamic forces in the equations of motion of a flexible aircraft are discussed. Two methods of formulating these approximations are extended to include the same flexibility in constraining the approximations and the same methodology in optimizing nonlinear parameters as another currently used extended least-squares method. Optimal selection of nonlinear parameters is made in each of the three methods by use of the same nonlinear, nongradient optimizer. The objective of the nonlinear optimization is to obtain rational approximations to the unsteady aerodynamics whose state-space realization is lower order than that required when no optimization of the nonlinear terms is performed. The free linear parameters are determined using the least-squares matrix techniques of a Lagrange multiplier formulation of an objective function which incorporates selected linear equality constraints. State-space mathematical models resulting from different approaches are described and results are presented that show comparative evaluations from application of each of the extended methods to a numerical example.

  12. Sequential Experimentation: Comparing Stochastic Approximation Methods Which Find the "Right" Value of the Independent Variable.

    ERIC Educational Resources Information Center

    Hummel, Thomas J.; Johnston, Charles B.

    This research investigates stochastic approximation procedures of the Robbins-Monro type. Following a brief introduction to sequential experimentation, attention is focused on formal methods for selecting successive values of a single independent variable. Empirical results obtained through computer simulation are used to compare several formal…

  13. Approximate Solution Methods for Spectral Radiative Transfer in High Refractive Index Layers

    NASA Technical Reports Server (NTRS)

    Siegel, R.; Spuckler, C. M.

    1994-01-01

    Some ceramic materials for high temperature applications are partially transparent for radiative transfer. The refractive indices of these materials can be substantially greater than one which influences internal radiative emission and reflections. Heat transfer behavior of single and laminated layers has been obtained in the literature by numerical solutions of the radiative transfer equations coupled with heat conduction and heating at the boundaries by convection and radiation. Two-flux and diffusion methods are investigated here to obtain approximate solutions using a simpler formulation than required for exact numerical solutions. Isotropic scattering is included. The two-flux method for a single layer yields excellent results for gray and two band spectral calculations. The diffusion method yields a good approximation for spectral behavior in laminated multiple layers if the overall optical thickness is larger than about ten. A hybrid spectral model is developed using the two-flux method in the optically thin bands, and radiative diffusion in bands that are optically thick.

  14. An approximate analytical method for short-range impulsive orbit rendezvous using relative Lambert solutions

    NASA Astrophysics Data System (ADS)

    Zhang, Gang; Zhou, Di; Mortari, Daniele

    2012-12-01

    A new approximate analytical method for the two-body impulsive orbit rendezvous problem with short range is presented. The classical analytical approach derives the initial relative velocity from the state transition matrix of linear relative motion equations. This paper proposes a different analytical approach based on the relative Lambert solutions. An approximate expression for the transfer time is obtained as a function of chaser's and target's semi-major axes difference. This results in first and second order estimates of the chaser's semi-major axis. Singularity points of rendezvous time for the classical and proposed new methods are both analyzed. As compared with the classical method, the new solution is simpler, more accurate, and has fewer singularity points. Moreover, the proposed method can be easily expanded to higher order solutions. A numerical example quantifies the accuracy gain for multiple-revolution cases.

  15. A numerical method for approximating antenna surfaces defined by discrete surface points

    NASA Technical Reports Server (NTRS)

    Lee, R. Q.; Acosta, R.

    1985-01-01

    A simple numerical method for the quadratic approximation of a discretely defined reflector surface is described. The numerical method was applied to interpolate the surface normal of a parabolic reflector surface from a grid of nine closest surface points to the point of incidence. After computing the surface normals, the geometrical optics and the aperture integration method using the discrete Fast Fourier Transform (FFT) were applied to compute the radiaton patterns for a symmetric and an offset antenna configurations. The computed patterns are compared to that of the analytic case and to the patterns generated from another numerical technique using the spline function approximation. In the paper, examples of computations are given. The accuracy of the numerical method is discussed.

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

    NASA Astrophysics Data System (ADS)

    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.

  17. Scattering of light by large nonspherical particles: ray-tracing approximation versus T-matrix method.

    PubMed

    Macke, A; Mishchenko, M I; Muinonen, K; Carlson, B E

    1995-10-01

    We report, for the f irst time to our knowledge, comparisons of light-scattering computations for large, randomly oriented, moderately absorbing spheroids based on the geometric-optics approximation and the exact T-matrix method. We show that in most cases the geometric-optics approximation is (much) more accurate for spheroids than for surface-equivalent spheres and can be used in phase function computations (but not in polarization computations) for nonspherical particles with size parameters as small as 60. Differences in the single-scattering albedo between geometric-optics and T-matrix results are surprisingly small, even for small size parameters. PMID:19862208

  18. Maximum likelihood phylogenetic estimation from DNA sequences with variable rates over sites: approximate methods.

    PubMed

    Yang, Z

    1994-09-01

    Two approximate methods are proposed for maximum likelihood phylogenetic estimation, which allow variable rates of substitution across nucleotide sites. Three data sets with quite different characteristics were analyzed to examine empirically the performance of these methods. The first, called the "discrete gamma model," uses several categories of rates to approximate the gamma distribution, with equal probability for each category. The mean of each category is used to represent all the rates falling in the category. The performance of this method is found to be quite good, and four such categories appear to be sufficient to produce both an optimum, or near-optimum fit by the model to the data, and also an acceptable approximation to the continuous distribution. The second method, called "fixed-rates model", classifies sites into several classes according to their rates predicted assuming the star tree. Sites in different classes are then assumed to be evolving at these fixed rates when other tree topologies are evaluated. Analyses of the data sets suggest that this method can produce reasonable results, but it seems to share some properties of a least-squares pairwise comparison; for example, interior branch lengths in nonbest trees are often found to be zero. The computational requirements of the two methods are comparable to that of Felsenstein's (1981, J Mol Evol 17:368-376) model, which assumes a single rate for all the sites. PMID:7932792

  19. Linear decomposition method for approximating arbitrary magnetic field profiles by optimization of discrete electromagnet currents

    SciTech Connect

    Tejero, E. M.; Gatling, G.

    2009-03-15

    A method for approximating arbitrary axial magnetic field profiles for a given solenoidal electromagnet coil array is described. The method casts the individual contributions from each coil as a truncated orthonormal basis for the space within the array. This truncated basis allows for the linear decomposition of an arbitrary profile function, which returns the appropriate currents for each coil to best reproduce the desired profile. We present the mathematical details of the method along with a detailed example of its use. The results from the method are used in a simulation and compared with magnetic field measuremen0008.

  20. Coupled-cluster method: A lattice-path-based subsystem approximation scheme for quantum lattice models

    SciTech Connect

    Bishop, R. F.; Li, P. H. Y.

    2011-04-15

    An approximation hierarchy, called the lattice-path-based subsystem (LPSUBm) approximation scheme, is described for the coupled-cluster method (CCM). It is applicable to systems defined on a regular spatial lattice. We then apply it to two well-studied prototypical (spin-(1/2) Heisenberg antiferromagnetic) spin-lattice models, namely, the XXZ and the XY models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the ground-state sublattice magnetization, and the quantum critical point. They are all in good agreement with those from such alternative methods as spin-wave theory, series expansions, quantum Monte Carlo methods, and the CCM using the alternative lattice-animal-based subsystem (LSUBm) and the distance-based subsystem (DSUBm) schemes. Each of the three CCM schemes (LSUBm, DSUBm, and LPSUBm) for use with systems defined on a regular spatial lattice is shown to have its own advantages in particular applications.

  1. Coupled-cluster method: A lattice-path-based subsystem approximation scheme for quantum lattice models

    NASA Astrophysics Data System (ADS)

    Bishop, R. F.; Li, P. H. Y.

    2011-04-01

    An approximation hierarchy, called the lattice-path-based subsystem (LPSUBm) approximation scheme, is described for the coupled-cluster method (CCM). It is applicable to systems defined on a regular spatial lattice. We then apply it to two well-studied prototypical (spin-(1)/(2) Heisenberg antiferromagnetic) spin-lattice models, namely, the XXZ and the XY models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the ground-state sublattice magnetization, and the quantum critical point. They are all in good agreement with those from such alternative methods as spin-wave theory, series expansions, quantum Monte Carlo methods, and the CCM using the alternative lattice-animal-based subsystem (LSUBm) and the distance-based subsystem (DSUBm) schemes. Each of the three CCM schemes (LSUBm, DSUBm, and LPSUBm) for use with systems defined on a regular spatial lattice is shown to have its own advantages in particular applications.

  2. Rational approximations from power series of vector-valued meromorphic functions

    NASA Technical Reports Server (NTRS)

    Sidi, Avram

    1992-01-01

    Let F(z) be a vector-valued function, F: C yields C(sup N), which is analytic at z = 0 and meromorphic in a neighborhood of z = 0, and let its Maclaurin series be given. In this work we developed vector-valued rational approximation procedures for F(z) by applying vector extrapolation methods to the sequence of partial sums of its Maclaurin series. We analyzed some of the algebraic and analytic properties of the rational approximations thus obtained, and showed that they were akin to Pade approximations. In particular, we proved a Koenig type theorem concerning their poles and a de Montessus type theorem concerning their uniform convergence. We showed how optical approximations to multiple poles and to Laurent expansions about these poles can be constructed. Extensions of the procedures above and the accompanying theoretical results to functions defined in arbitrary linear spaces was also considered. One of the most interesting and immediate applications of the results of this work is to the matrix eigenvalue problem. In a forthcoming paper we exploited the developments of the present work to devise bona fide generalizations of the classical power method that are especially suitable for very large and sparse matrices. These generalizations can be used to approximate simultaneously several of the largest distinct eigenvalues and corresponding eigenvectors and invariant subspaces of arbitrary matrices which may or may not be diagonalizable, and are very closely related with known Krylov subspace methods.

  3. Evaluation of approximate methods for the prediction of noise shielding by airframe components

    NASA Technical Reports Server (NTRS)

    Ahtye, W. F.; Mcculley, G.

    1980-01-01

    An evaluation of some approximate methods for the prediction of shielding of monochromatic sound and broadband noise by aircraft components is reported. Anechoic-chamber measurements of the shielding of a point source by various simple geometric shapes were made and the measured values compared with those calculated by the superposition of asymptotic closed-form solutions for the shielding by a semi-infinite plane barrier. The shields used in the measurements consisted of rectangular plates, a circular cylinder, and a rectangular plate attached to the cylinder to simulate a wing-body combination. The normalized frequency, defined as a product of the acoustic wave number and either the plate width or cylinder diameter, ranged from 4.6 to 114. Microphone traverses in front of the rectangular plates and cylinders generally showed a series of diffraction bands that matched those predicted by the approximate methods, except for differences in the magnitudes of the attenuation minima which can be attributed to experimental inaccuracies. The shielding of wing-body combinations was predicted by modifications of the approximations used for rectangular and cylindrical shielding. Although the approximations failed to predict diffraction patterns in certain regions, they did predict the average level of wing-body shielding with an average deviation of less than 3 dB.

  4. Geometry Optimization without Spin Contamination Error - Approximately Spin Projected Optimization Method -

    SciTech Connect

    Kitagawa, Y.; Saito, T.; Nakanishi, Y.; Ito, M.; Shoji, M.; Kawakami, T.; Okumura, M.; Koizumi, K.; Yamanaka, S.; Yamaguchi, K.

    2007-12-26

    A geometry optimization method based on Yamaguchi's approximate spin projection procedure is presented. This method, which can eliminate an effect of a spin contamination from a broken symmetry solution, is applied to several biradical systems such as CH{sub 2}, Cr{sub 2}(O{sub 2}CCH{sub 3}){sub 4}(H{sub 2}O){sub 2} and an active site of oxygenated hemocyanin. The results show that the spin contamination error in the structure optimized by the BS method is not negligible.

  5. Accumulated approximation: A new method for structural optimization by iterative improvement

    NASA Technical Reports Server (NTRS)

    Rasmussen, John

    1990-01-01

    A new method for the solution of non-linear mathematical programming problems in the field of structural optimization is presented. It is an iterative scheme which for each iteration refines the approximation of objective and constraint functions by accumulating the function values of previously visited design points. The method has proven to be competitive for a number of well-known examples of which one is presented here. Furthermore because of the accumulation strategy, the method produces convergence even when the sensitivity analysis is inaccurate.

  6. A generalized Padé approximation method of solving homoclinic and heteroclinic orbits of strongly nonlinear autonomous oscillators

    NASA Astrophysics Data System (ADS)

    Li, Zhen-Bo; Tang, Jia-Shi; Cai, Ping

    2014-12-01

    An intrinsic extension of Padé approximation method, called the generalized Padé approximation method, is proposed based on the classic Padé approximation theorem. According to the proposed method, the numerator and denominator of Padé approximant are extended from polynomial functions to a series composed of any kind of function, which means that the generalized Padé approximant is not limited to some forms, but can be constructed in different forms in solving different problems. Thus, many existing modifications of Padé approximation method can be considered to be the special cases of the proposed method. For solving homoclinic and heteroclinic orbits of strongly nonlinear autonomous oscillators, two novel kinds of generalized Padé approximants are constructed. Then, some examples are given to show the validity of the present method. To show the accuracy of the method, all solutions obtained in this paper are compared with those of the Runge—Kutta method.

  7. A method for the accurate and smooth approximation of standard thermodynamic functions

    NASA Astrophysics Data System (ADS)

    Coufal, O.

    2013-01-01

    A method is proposed for the calculation of approximations of standard thermodynamic functions. The method is consistent with the physical properties of standard thermodynamic functions. This means that the approximation functions are, in contrast to the hitherto used approximations, continuous and smooth in every temperature interval in which no phase transformations take place. The calculation algorithm was implemented by the SmoothSTF program in the C++ language which is part of this paper. Program summaryProgram title:SmoothSTF Catalogue identifier: AENH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3807 No. of bytes in distributed program, including test data, etc.: 131965 Distribution format: tar.gz Programming language: C++. Computer: Any computer with gcc version 4.3.2 compiler. Operating system: Debian GNU Linux 6.0. The program can be run in operating systems in which the gcc compiler can be installed, see http://gcc.gnu.org/install/specific.html. RAM: 256 MB are sufficient for the table of standard thermodynamic functions with 500 lines Classification: 4.9. Nature of problem: Standard thermodynamic functions (STF) of individual substances are given by thermal capacity at constant pressure, entropy and enthalpy. STF are continuous and smooth in every temperature interval in which no phase transformations take place. The temperature dependence of STF as expressed by the table of its values is for further application approximated by temperature functions. In the paper, a method is proposed for calculating approximation functions which, in contrast to the hitherto used approximations, are continuous and smooth in every temperature interval. Solution method: The approximation functions are

  8. Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules

    SciTech Connect

    Nikiforov, Alexander; Gamez, Jose A.; Thiel, Walter; Huix-Rotllant, Miquel; Filatov, Michael

    2014-09-28

    Quantum-chemical computational methods are benchmarked for their ability to describe conical intersections in a series of organic molecules and models of biological chromophores. Reference results for the geometries, relative energies, and branching planes of conical intersections are obtained using ab initio multireference configuration interaction with single and double excitations (MRCISD). They are compared with the results from more approximate methods, namely, the state-interaction state-averaged restricted ensemble-referenced Kohn-Sham method, spin-flip time-dependent density functional theory, and a semiempirical MRCISD approach using an orthogonalization-corrected model. It is demonstrated that these approximate methods reproduce the ab initio reference data very well, with root-mean-square deviations in the optimized geometries of the order of 0.1 Å or less and with reasonable agreement in the computed relative energies. A detailed analysis of the branching plane vectors shows that all currently applied methods yield similar nuclear displacements for escaping the strong non-adiabatic coupling region near the conical intersections. Our comparisons support the use of the tested quantum-chemical methods for modeling the photochemistry of large organic and biological systems.

  9. Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules

    NASA Astrophysics Data System (ADS)

    Nikiforov, Alexander; Gamez, Jose A.; Thiel, Walter; Huix-Rotllant, Miquel; Filatov, Michael

    2014-09-01

    Quantum-chemical computational methods are benchmarked for their ability to describe conical intersections in a series of organic molecules and models of biological chromophores. Reference results for the geometries, relative energies, and branching planes of conical intersections are obtained using ab initio multireference configuration interaction with single and double excitations (MRCISD). They are compared with the results from more approximate methods, namely, the state-interaction state-averaged restricted ensemble-referenced Kohn-Sham method, spin-flip time-dependent density functional theory, and a semiempirical MRCISD approach using an orthogonalization-corrected model. It is demonstrated that these approximate methods reproduce the ab initio reference data very well, with root-mean-square deviations in the optimized geometries of the order of 0.1 Å or less and with reasonable agreement in the computed relative energies. A detailed analysis of the branching plane vectors shows that all currently applied methods yield similar nuclear displacements for escaping the strong non-adiabatic coupling region near the conical intersections. Our comparisons support the use of the tested quantum-chemical methods for modeling the photochemistry of large organic and biological systems.

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

    NASA Astrophysics Data System (ADS)

    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.

  11. A recursive model-reduction method for approximate inference in Gaussian Markov random fields.

    PubMed

    Johnson, Jason K; Willsky, Alan S

    2008-01-01

    This paper presents recursive cavity modeling--a principled, tractable approach to approximate, near-optimal inference for large Gauss-Markov random fields. The main idea is to subdivide the random field into smaller subfields, constructing cavity models which approximate these subfields. Each cavity model is a concise, yet faithful, model for the surface of one subfield sufficient for near-optimal inference in adjacent subfields. This basic idea leads to a tree-structured algorithm which recursively builds a hierarchy of cavity models during an "upward pass" and then builds a complementary set of blanket models during a reverse "downward pass." The marginal statistics of individual variables can then be approximated using their blanket models. Model thinning plays an important role, allowing us to develop thinned cavity and blanket models thereby providing tractable approximate inference. We develop a maximum-entropy approach that exploits certain tractable representations of Fisher information on thin chordal graphs. Given the resulting set of thinned cavity models, we also develop a fast preconditioner, which provides a simple iterative method to compute optimal estimates. Thus, our overall approach combines recursive inference, variational learning and iterative estimation. We demonstrate the accuracy and scalability of this approach in several challenging, large-scale remote sensing problems. PMID:18229805

  12. An analytical technique for approximating unsteady aerodynamics in the time domain

    NASA Technical Reports Server (NTRS)

    Dunn, H. J.

    1980-01-01

    An analytical technique is presented for approximating unsteady aerodynamic forces in the time domain. The order of elements of a matrix Pade approximation was postulated, and the resulting polynomial coefficients were determined through a combination of least squares estimates for the numerator coefficients and a constrained gradient search for the denominator coefficients which insures stable approximating functions. The number of differential equations required to represent the aerodynamic forces to a given accuracy tends to be smaller than that employed in certain existing techniques where the denominator coefficients are chosen a priori. Results are shown for an aeroelastic, cantilevered, semispan wing which indicate a good fit to the aerodynamic forces for oscillatory motion can be achieved with a matrix Pade approximation having fourth order numerator and second order denominator polynomials.

  13. An algorithm for maximum likelihood estimation using an efficient method for approximating sensitivities

    NASA Technical Reports Server (NTRS)

    Murphy, P. C.

    1984-01-01

    An algorithm for maximum likelihood (ML) estimation is developed primarily for multivariable dynamic systems. The algorithm relies on a new optimization method referred to as a modified Newton-Raphson with estimated sensitivities (MNRES). The method determines sensitivities by using slope information from local surface approximations of each output variable in parameter space. The fitted surface allows sensitivity information to be updated at each iteration with a significant reduction in computational effort compared with integrating the analytically determined sensitivity equations or using a finite-difference method. Different surface-fitting methods are discussed and demonstrated. Aircraft estimation problems are solved by using both simulated and real-flight data to compare MNRES with commonly used methods; in these solutions MNRES is found to be equally accurate and substantially faster. MNRES eliminates the need to derive sensitivity equations, thus producing a more generally applicable algorithm.

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

    NASA Astrophysics Data System (ADS)

    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.

  15. An approximate loop transfer recovery method for designing fixed-order compensators

    NASA Technical Reports Server (NTRS)

    Calise, Anthony J.; Prasad, J. V. R.

    1988-01-01

    A method for designing fixed-order dynamic compensators for multivariable time invariant linear systems is presented which is based on the minimization of a linear quadratic performance index. The present formulation is performed in an output feedback setting which uses an observer cononical form to represent the compensator dynamics. Techniques for penalizing the plant and compensator states and for selecting the distribution on initial conditions such that the loop transfer matrix approximates that of a full-state feedback design have been developed. The effectiveness of the method is demonstrated using the examples of the pointing of a flexible structure and a helicopter flight control problem.

  16. New identification method for Hammerstein models based on approximate least absolute deviation

    NASA Astrophysics Data System (ADS)

    Xu, Bao-Chang; Zhang, Ying-Dan

    2016-07-01

    Disorder and peak noises or large disturbances can deteriorate the identification effects of Hammerstein non-linear models when using the least-square (LS) method. The least absolute deviation technique can be used to resolve this problem; however, its absolute value cannot meet the need of differentiability required by most algorithms. To improve robustness and resolve the non-differentiable problem, an approximate least absolute deviation (ALAD) objective function is established by introducing a deterministic function that exhibits the characteristics of absolute value under certain situations. A new identification method for Hammerstein models based on ALAD is thus developed in this paper. The basic idea of this method is to apply the stochastic approximation theory in the process of deriving the recursive equations. After identifying the parameter matrix of the Hammerstein model via the new algorithm, the product terms in the matrix are separated by calculating the average values. Finally, algorithm convergence is proven by applying the ordinary differential equation method. The proposed algorithm has a better robustness as compared to other LS methods, particularly when abnormal points exist in the measured data. Furthermore, the proposed algorithm is easier to apply and converges faster. The simulation results demonstrate the efficacy of the proposed algorithm.

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

    NASA Astrophysics Data System (ADS)

    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.

  18. A general approximate method for the groundwater response problem caused by water level variation

    NASA Astrophysics Data System (ADS)

    Jiang, Qinghui; Tang, Yuehao

    2015-10-01

    The Boussinesq equation (BEQ) can be used to describe groundwater flow through an unconfined aquifer. Based on 1D BEQ, we present a general approximate method to predict the water table response in a semi-infinite aquifer system with a vertical or sloping boundary. A decomposition method is adopted by separating the original problem into a linear diffusion equation (DE) and two correction functions. The linear DE satisfies all the initial and boundary conditions, reflecting the basic characteristics of groundwater movement. The correction functions quantitatively measure the errors due to the degeneration from the original BEQ to a linear DE. As the correction functions must be linearized to obtain analytical solution forms, the proposed method is an approximate approach. In the case studies, we apply this method to four different situations of water level variation (i.e., constant, sudden, linear and periodic change) resting on vertical or sloping boundaries. The results are compared against numerical results, field data and other analytical solutions, which demonstrate that the proposed method has a good accuracy and versatility over a wide range of applications.

  19. The Wentzel-Kramers-Brillouin approximation method applied to the Wigner function

    NASA Astrophysics Data System (ADS)

    Tosiek, J.; Cordero, R.; Turrubiates, F. J.

    2016-06-01

    An adaptation of the Wentzel-Kramers-Brilluoin method in the deformation quantization formalism is presented with the aim to obtain an approximate technique of solving the eigenvalue problem for energy in the phase space quantum approach. A relationship between the phase σ ( r →) of a wave function exp (" separators=" /i ħ σ ( r →)) and its respective Wigner function is derived. Formulas to calculate the Wigner function of a product and of a superposition of wave functions are proposed. Properties of a Wigner function of interfering states are also investigated. Examples of this quasi-classical approximation in deformation quantization are analysed. A strict form of the Wigner function for states represented by tempered generalised functions has been derived. Wigner functions of unbound states in the Poeschl-Teller potential have been found.

  20. Complex-valued derivative propagation method with approximate Bohmian trajectories for quantum barrier scattering

    NASA Astrophysics Data System (ADS)

    Chou, Chia-Chun

    2015-08-01

    The complex quantum Hamilton-Jacobi equation for the complex action is approximately solved by propagating individual Bohmian trajectories in real space. Equations of motion for the complex action and its spatial derivatives are derived through use of the derivative propagation method. We transform these equations into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. Setting higher-order derivatives equal to zero, we obtain a truncated system of equations of motion describing the rate of change in the complex action and its spatial derivatives transported along approximate Bohmian trajectories. A set of test trajectories is propagated to determine appropriate initial positions for transmitted trajectories. Computational results for transmitted wave packets and transmission probabilities are presented and analyzed for a one-dimensional Eckart barrier and a two-dimensional system involving either a thick or thin Eckart barrier along the reaction coordinate coupled to a harmonic oscillator.

  1. Domain decomposition methods for systems of conservation laws: Spectral collocation approximations

    NASA Technical Reports Server (NTRS)

    Quarteroni, Alfio

    1989-01-01

    Hyperbolic systems of conversation laws are considered which are discretized in space by spectral collocation methods and advanced in time by finite difference schemes. At any time-level a domain deposition method based on an iteration by subdomain procedure was introduced yielding at each step a sequence of independent subproblems (one for each subdomain) that can be solved simultaneously. The method is set for a general nonlinear problem in several space variables. The convergence analysis, however, is carried out only for a linear one-dimensional system with continuous solutions. A precise form of the error reduction factor at each iteration is derived. Although the method is applied here to the case of spectral collocation approximation only, the idea is fairly general and can be used in a different context as well. For instance, its application to space discretization by finite differences is straight forward.

  2. Fluctuations of spherical waves in a turbulent atmosphere: effect of the axisymmetric approximation in computational methods.

    PubMed

    Salomons, E M

    2000-10-01

    The validity of the axisymmetric parabolic-equation (PE) method for line-of-sight sound propagation in a turbulent atmosphere is investigated. The axisymmetric PE method is a finite-difference method for solving a 2D parabolic wave equation, which follows from the 3D wave equation by the assumption of axial symmetry around the vertical axis through the source. It is found that this axisymmetric approximation has a considerable spurious effect on the fluctuations of the sound field. This is concluded from analytical expressions for the log-amplitude and phase variances, derived both for isotropic turbulence and for axisymmetric turbulence. The expressions for axisymmetric turbulence are compared with the results of numerical computations with the PE method. PMID:11051480

  3. Approximate-model based estimation method for dynamic response of forging processes

    NASA Astrophysics Data System (ADS)

    Lei, Jie; Lu, Xinjiang; Li, Yibo; Huang, Minghui; Zou, Wei

    2015-03-01

    Many high-quality forging productions require the large-sized hydraulic press machine (HPM) to have a desirable dynamic response. Since the forging process is complex under the low velocity, its response is difficult to estimate. And this often causes the desirable low-velocity forging condition difficult to obtain. So far little work has been found to estimate the dynamic response of the forging process under low velocity. In this paper, an approximate-model based estimation method is proposed to estimate the dynamic response of the forging process under low velocity. First, an approximate model is developed to represent the forging process of this complex HPM around the low-velocity working point. Under guaranteeing the modeling performance, the model may greatly ease the complexity of the subsequent estimation of the dynamic response because it has a good linear structure. On this basis, the dynamic response is estimated and the conditions for stability, vibration, and creep are derived according to the solution of the velocity. All these analytical results are further verified by both simulations and experiment. In the simulation verification for modeling, the original movement model and the derived approximate model always have the same dynamic responses with very small approximate error. The simulations and experiment finally demonstrate and test the effectiveness of the derived conditions for stability, vibration, and creep, and these conditions will benefit both the prediction of the dynamic response of the forging process and the design of the controller for the high-quality forging. The proposed method is an effective solution to achieve the desirable low-velocity forging condition.

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

    PubMed

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

    2016-05-01

    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. PMID:27155630

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    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.

  6. Validity of approximate methods in molecular scattering. III - Effective potential and coupled states approximations for differential and gas kinetic cross sections

    NASA Technical Reports Server (NTRS)

    Monchick, L.; Green, S.

    1977-01-01

    Two dimensionality-reducing approximations, the j sub z-conserving coupled states (sometimes called the centrifugal decoupling) method and the effective potential method, were applied to collision calculations of He with CO and with HCl. The coupled states method was found to be sensitive to the interpretation of the centrifugal angular momentum quantum number in the body-fixed frame, but the choice leading to the original McGuire-Kouri expression for the scattering amplitude - and to the simplest formulas - proved to be quite successful in reproducing differential and gas kinetic cross sections. The computationally cheaper effective potential method was much less accurate.

  7. MIST - MINIMUM-STATE METHOD FOR RATIONAL APPROXIMATION OF UNSTEADY AERODYNAMIC FORCE COEFFICIENT MATRICES

    NASA Technical Reports Server (NTRS)

    Karpel, M.

    1994-01-01

    Various control analysis, design, and simulation techniques of aeroservoelastic systems require the equations of motion to be cast in a linear, time-invariant state-space form. In order to account for unsteady aerodynamics, rational function approximations must be obtained to represent them in the first order equations of the state-space formulation. A computer program, MIST, has been developed which determines minimum-state approximations of the coefficient matrices of the unsteady aerodynamic forces. The Minimum-State Method facilitates the design of lower-order control systems, analysis of control system performance, and near real-time simulation of aeroservoelastic phenomena such as the outboard-wing acceleration response to gust velocity. Engineers using this program will be able to calculate minimum-state rational approximations of the generalized unsteady aerodynamic forces. Using the Minimum-State formulation of the state-space equations, they will be able to obtain state-space models with good open-loop characteristics while reducing the number of aerodynamic equations by an order of magnitude more than traditional approaches. These low-order state-space mathematical models are good for design and simulation of aeroservoelastic systems. The computer program, MIST, accepts tabular values of the generalized aerodynamic forces over a set of reduced frequencies. It then determines approximations to these tabular data in the LaPlace domain using rational functions. MIST provides the capability to select the denominator coefficients in the rational approximations, to selectably constrain the approximations without increasing the problem size, and to determine and emphasize critical frequency ranges in determining the approximations. MIST has been written to allow two types data weighting options. The first weighting is a traditional normalization of the aerodynamic data to the maximum unit value of each aerodynamic coefficient. The second allows weighting the

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

    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.

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

    SciTech Connect

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

    2014-10-15

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

  10. Accuracy considerations for Chebyshev rational approximation method (CRAM) in Burnup calculations

    SciTech Connect

    Pusa, M.

    2013-07-01

    The burnup equations can in principle be solved by computing the exponential of the burnup matrix. However, due to the difficult numerical characteristics of burnup matrices, the problem is extremely stiff and the matrix exponential solution has previously been considered infeasible for an entire burnup system containing over a thousand nuclides. It was recently discovered by the author that the eigenvalues of burnup matrices are generally located near the negative real axis, which prompted introducing the Chebyshev rational approximation method (CRAM) for solving the burnup equations. CRAM can be characterized as the best rational approximation on the negative real axis and it has been shown to be capable of simultaneously solving an entire burnup system both accurately and efficiently. In this paper, the accuracy of CRAM is further studied in the context of burnup equations. The approximation error is analyzed based on the eigenvalue decomposition of the burnup matrix. It is deduced that the relative accuracy of CRAM may be compromised if a nuclide concentration diminishes significantly during the considered time step. Numerical results are presented for two test cases, the first one representing a small burnup system with 36 nuclides and the second one a full a decay system with 1531 nuclides. (authors)

  11. Numerical approximation of Lévy-Feller fractional diffusion equation via Chebyshev-Legendre collocation method

    NASA Astrophysics Data System (ADS)

    Sweilam, N. H.; Abou Hasan, M. M.

    2016-08-01

    This paper reports a new spectral algorithm for obtaining an approximate solution for the Lévy-Feller diffusion equation depending on Legendre polynomials and Chebyshev collocation points. The Lévy-Feller diffusion equation is obtained from the standard diffusion equation by replacing the second-order space derivative with a Riesz-Feller derivative. A new formula expressing explicitly any fractional-order derivatives, in the sense of Riesz-Feller operator, of Legendre polynomials of any degree in terms of Jacobi polynomials is proved. Moreover, the Chebyshev-Legendre collocation method together with the implicit Euler method are used to reduce these types of differential equations to a system of algebraic equations which can be solved numerically. Numerical results with comparisons are given to confirm the reliability of the proposed method for the Lévy-Feller diffusion equation.

  12. Approximate method for calculating free vibrations of a large-wind-turbine tower structure

    NASA Technical Reports Server (NTRS)

    Das, S. C.; Linscott, B. S.

    1977-01-01

    A set of ordinary differential equations were derived for a simplified structural dynamic lumped-mass model of a typical large-wind-turbine tower structure. Dunkerley's equation was used to arrive at a solution for the fundamental natural frequencies of the tower in bending and torsion. The ERDA-NASA 100-kW wind turbine tower structure was modeled, and the fundamental frequencies were determined by the simplified method described. The approximate fundamental natural frequencies for the tower agree within 18 percent with test data and predictions analyzed.

  13. Quasi-Isotropic Approximation of Geometrical Optics Method as Adequate Electrodynamical Basis for Tokamak Plasma Polarimetry

    NASA Astrophysics Data System (ADS)

    Bieg, Bohdan; Chrzanowski, Janusz; Kravtsov, Yury A.; Orsitto, Francesco

    Basic principles and recent findings of quasi-isotropic approximation (QIA) of a geometrical optics method are presented in a compact manner. QIA was developed in 1969 to describe electromagnetic waves in weakly anisotropic media. QIA represents the wave field as a power series in two small parameters, one of which is a traditional geometrical optics parameter, equal to wavelength ratio to plasma characteristic scale, and the other one is the largest component of anisotropy tensor. As a result, "" QIA ideally suits to tokamak polarimetry/interferometry systems in submillimeter range, where plasma manifests properties of weakly anisotropic medium.

  14. Parameter inference in small world network disease models with approximate Bayesian Computational methods

    NASA Astrophysics Data System (ADS)

    Walker, David M.; Allingham, David; Lee, Heung Wing Joseph; Small, Michael

    2010-02-01

    Small world network models have been effective in capturing the variable behaviour of reported case data of the SARS coronavirus outbreak in Hong Kong during 2003. Simulations of these models have previously been realized using informed “guesses” of the proposed model parameters and tested for consistency with the reported data by surrogate analysis. In this paper we attempt to provide statistically rigorous parameter distributions using Approximate Bayesian Computation sampling methods. We find that such sampling schemes are a useful framework for fitting parameters of stochastic small world network models where simulation of the system is straightforward but expressing a likelihood is cumbersome.

  15. Implementation of the finite amplitude method for the relativistic quasiparticle random-phase approximation

    NASA Astrophysics Data System (ADS)

    Nikšić, T.; Kralj, N.; Tutiš, T.; Vretenar, D.; Ring, P.

    2013-10-01

    A new implementation of the finite amplitude method (FAM) for the solution of the relativistic quasiparticle random-phase approximation (RQRPA) is presented, based on the relativistic Hartree-Bogoliubov (RHB) model for deformed nuclei. The numerical accuracy and stability of the FAM-RQRPA is tested in a calculation of the monopole response of 22O. As an illustrative example, the model is applied to a study of the evolution of monopole strength in the chain of Sm isotopes, including the splitting of the giant monopole resonance in axially deformed systems.

  16. Fine Mapping Causal Variants with an Approximate Bayesian Method Using Marginal Test Statistics.

    PubMed

    Chen, Wenan; Larrabee, Beth R; Ovsyannikova, Inna G; Kennedy, Richard B; Haralambieva, Iana H; Poland, Gregory A; Schaid, Daniel J

    2015-07-01

    Two recently developed fine-mapping methods, CAVIAR and PAINTOR, demonstrate better performance over other fine-mapping methods. They also have the advantage of using only the marginal test statistics and the correlation among SNPs. Both methods leverage the fact that the marginal test statistics asymptotically follow a multivariate normal distribution and are likelihood based. However, their relationship with Bayesian fine mapping, such as BIMBAM, is not clear. In this study, we first show that CAVIAR and BIMBAM are actually approximately equivalent to each other. This leads to a fine-mapping method using marginal test statistics in the Bayesian framework, which we call CAVIAR Bayes factor (CAVIARBF). Another advantage of the Bayesian framework is that it can answer both association and fine-mapping questions. We also used simulations to compare CAVIARBF with other methods under different numbers of causal variants. The results showed that both CAVIARBF and BIMBAM have better performance than PAINTOR and other methods. Compared to BIMBAM, CAVIARBF has the advantage of using only marginal test statistics and takes about one-quarter to one-fifth of the running time. We applied different methods on two independent cohorts of the same phenotype. Results showed that CAVIARBF, BIMBAM, and PAINTOR selected the same top 3 SNPs; however, CAVIARBF and BIMBAM had better consistency in selecting the top 10 ranked SNPs between the two cohorts. Software is available at https://bitbucket.org/Wenan/caviarbf. PMID:25948564

  17. Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method

    SciTech Connect

    Ghosh, Debashree

    2014-03-07

    Hybrid quantum mechanics/molecular mechanics (QM/MM) methods provide an attractive way to closely retain the accuracy of the QM method with the favorable computational scaling of the MM method. Therefore, it is not surprising that QM/MM methods are being increasingly used for large chemical/biological systems. Hybrid equation of motion coupled cluster singles doubles/effective fragment potential (EOM-CCSD/EFP) methods have been developed over the last few years to understand the effect of solvents and other condensed phases on the electronic spectra of chromophores. However, the computational cost of this approach is still dominated by the steep scaling of the EOM-CCSD method. In this work, we propose and implement perturbative approximations to the EOM-CCSD method in this hybrid scheme to reduce the cost of EOM-CCSD/EFP. The timings and accuracy of this hybrid approach is tested for calculation of ionization energies, excitation energies, and electron affinities of microsolvated nucleic acid bases (thymine and cytosine), phenol, and phenolate.

  18. Perturbative approximation to hybrid equation of motion coupled cluster/effective fragment potential method.

    PubMed

    Ghosh, Debashree

    2014-03-01

    Hybrid quantum mechanics/molecular mechanics (QM/MM) methods provide an attractive way to closely retain the accuracy of the QM method with the favorable computational scaling of the MM method. Therefore, it is not surprising that QM/MM methods are being increasingly used for large chemical/biological systems. Hybrid equation of motion coupled cluster singles doubles/effective fragment potential (EOM-CCSD/EFP) methods have been developed over the last few years to understand the effect of solvents and other condensed phases on the electronic spectra of chromophores. However, the computational cost of this approach is still dominated by the steep scaling of the EOM-CCSD method. In this work, we propose and implement perturbative approximations to the EOM-CCSD method in this hybrid scheme to reduce the cost of EOM-CCSD/EFP. The timings and accuracy of this hybrid approach is tested for calculation of ionization energies, excitation energies, and electron affinities of microsolvated nucleic acid bases (thymine and cytosine), phenol, and phenolate. PMID:24606347

  19. Method to solve integral equations of the first kind with an approximate input.

    PubMed

    Efros, Victor D

    2012-07-01

    Techniques are proposed for solving integral equations of the first kind with an input known not precisely. The requirement that the solution sought for includes a given number of maxima and minima is imposed. It is shown that when the deviation of the approximate input from the true one is sufficiently small and some additional conditions are fulfilled the method leads to an approximate solution that is necessarily close to the true solution. No regularization is required in the present approach. Requirements on features of the solution at integration limits are also imposed. The problem is treated with the help of an ansatz proposed for the derivative of the solution. The ansatz is the most general one compatible with the above mentioned requirements. The techniques are tested with exactly solvable examples. Inversions of the Lorentz, Stieltjes, and Laplace integral transforms are performed, and very satisfactory results are obtained. The method is useful, in particular, for the calculation of quantum-mechanical reaction amplitudes and inclusive spectra of perturbation-induced reactions in the framework of the integral transform approach. PMID:23005560

  20. Approximate method for solving relaxation problems in terms of material`s damagability under creep

    SciTech Connect

    Nikitenko, A.F.; Sukhorukov, I.V.

    1995-03-01

    The technology of thermoforming under creep and superplasticity conditions is finding increasing application in machine building for producing articles of a preset shape. After a part is made there are residual stresses in it, which lead to its warping. To remove residual stresses, moulded articles are usually exposed to thermal fixation, i.e., the part is held in compressed state at a certain temperature. Thermal fixation is simply the process of residual stress relaxation, following by accumulation of total creep in the material. Therefore the necessity to develop engineering methods for calculating the time of thermal fixation and relaxation of residual stresses to a safe level, not resulting in warping, becomes evident. The authors present an approximate method of calculation of stress-strain rate of a body during relaxation. They use a system of equations which describes a material`s creep, simultaneously taking into account accumulation of damages in it.

  1. Adaptive approximation method for joint parameter estimation and identical synchronization of chaotic systems.

    PubMed

    Mariño, Inés P; Míguez, Joaquín

    2005-11-01

    We introduce a numerical approximation method for estimating an unknown parameter of a (primary) chaotic system which is partially observed through a scalar time series. Specifically, we show that the recursive minimization of a suitably designed cost function that involves the dynamic state of a fully observed (secondary) system and the observed time series can lead to the identical synchronization of the two systems and the accurate estimation of the unknown parameter. The salient feature of the proposed technique is that the only external input to the secondary system is the unknown parameter which needs to be adjusted. We present numerical examples for the Lorenz system which show how our algorithm can be considerably faster than some previously proposed methods. PMID:16383795

  2. Estimating the Bias of Local Polynomial Approximation Methods Using the Peano Kernel

    SciTech Connect

    Blair, J.; Machorro, E.; Luttman, A.

    2013-03-01

    The determination of uncertainty of an estimate requires both the variance and the bias of the estimate. Calculating the variance of local polynomial approximation (LPA) estimates is straightforward. We present a method, using the Peano Kernel Theorem, to estimate the bias of LPA estimates and show how this can be used to optimize the LPA parameters in terms of the bias-variance tradeoff. Figures of merit are derived and values calculated for several common methods. The results in the literature are expanded by giving bias error bounds that are valid for all lengths of the smoothing interval, generalizing the currently available asymptotic results that are only valid in the limit as the length of this interval goes to zero.

  3. The anharmonic oscillator driven by Gaussian noise. Comparison between direct perturbation and Markov approximation methods

    NASA Astrophysics Data System (ADS)

    Pesquera, L.; Blanco, R.

    1987-04-01

    The anharmonic oscillator driven by Gaussian noise is studied in the limit of weak damping using the direct perturbation (DPM) and Markov approximation (MAM) methods. Mean values are obtained to first order in the anharmonic coupling constant g. From a careful treatment of the high-frequency behavior it is concluded that to first order in g the DPM takes high-frequency contributions into account whereas the MAM does not, while both agree if high-frequency contributions are not important. It is also shown that both methods give the same results to second order in g for the quartic anharmonic oscillator. The spectral density of the noise used in stochastic electrodynamics is considered as a particular example.

  4. An additive and lossless watermarking method based on invariant image approximation and Haar wavelet transform.

    PubMed

    Pan, W; Coatrieux, G; Cuppens, N; Cuppens, F; Roux, Ch

    2010-01-01

    In this article, we propose a new additive lossless watermarking scheme which identifies parts of the image that can be reversibly watermarked and conducts message embedding in the conventional Haar wavelet transform coefficients. Our approach makes use of an approximation of the image signal that is invariant to the watermark addition for classifying the image in order to avoid over/underflows. The method has been tested on different sets of medical images and some usual natural test images as Lena. Experimental result analysis conducted with respect to several aspects including data hiding capacity and image quality preservation, shows that our method is one of the most competitive existing lossless watermarking schemes in terms of high capacity and low distortion. PMID:21096246

  5. Replace-approximation method for ambiguous solutions in factor analysis of ultrasonic hepatic perfusion

    NASA Astrophysics Data System (ADS)

    Zhang, Ji; Ding, Mingyue; Yuchi, Ming; Hou, Wenguang; Ye, Huashan; Qiu, Wu

    2010-03-01

    Factor analysis is an efficient technique to the analysis of dynamic structures in medical image sequences and recently has been used in contrast-enhanced ultrasound (CEUS) of hepatic perfusion. Time-intensity curves (TICs) extracted by factor analysis can provide much more diagnostic information for radiologists and improve the diagnostic rate of focal liver lesions (FLLs). However, one of the major drawbacks of factor analysis of dynamic structures (FADS) is nonuniqueness of the result when only the non-negativity criterion is used. In this paper, we propose a new method of replace-approximation based on apex-seeking for ambiguous FADS solutions. Due to a partial overlap of different structures, factor curves are assumed to be approximately replaced by the curves existing in medical image sequences. Therefore, how to find optimal curves is the key point of the technique. No matter how many structures are assumed, our method always starts to seek apexes from one-dimensional space where the original high-dimensional data is mapped. By finding two stable apexes from one dimensional space, the method can ascertain the third one. The process can be continued until all structures are found. This technique were tested on two phantoms of blood perfusion and compared to the two variants of apex-seeking method. The results showed that the technique outperformed two variants in comparison of region of interest measurements from phantom data. It can be applied to the estimation of TICs derived from CEUS images and separation of different physiological regions in hepatic perfusion.

  6. Density functional method including weak interactions: Dispersion coefficients based on the local response approximation

    NASA Astrophysics Data System (ADS)

    Sato, Takeshi; Nakai, Hiromi

    2009-12-01

    A new method to calculate the atom-atom dispersion coefficients in a molecule is proposed for the use in density functional theory with dispersion (DFT-D) correction. The method is based on the local response approximation due to Dobson and Dinte [Phys. Rev. Lett. 76, 1780 (1996)], with modified dielectric model recently proposed by Vydrov and van Voorhis [J. Chem. Phys. 130, 104105 (2009)]. The local response model is used to calculate the distributed multipole polarizabilities of atoms in a molecule, from which the dispersion coefficients are obtained by an explicit frequency integral of the Casimir-Polder type. Thus obtained atomic polarizabilities are also used in the damping function for the short-range singularity. Unlike empirical DFT-D methods, the local response dispersion (LRD) method is able to calculate the dispersion energy from the ground-state electron density only. It is applicable to any geometry, free from physical constants such as van der Waals radii or atomic polarizabilities, and computationally very efficient. The LRD method combined with the long-range corrected DFT functional (LC-BOP) is applied to calculations of S22 weakly bound complex set [Phys. Chem. Chem. Phys. 8, 1985 (2006)]. Binding energies obtained by the LC-BOP+LRD agree remarkably well with ab initio references.

  7. Density functional method including weak interactions: Dispersion coefficients based on the local response approximation

    NASA Astrophysics Data System (ADS)

    Sato, Takeshi; Nakai, Hiromi

    2009-12-01

    A new method to calculate the atom-atom dispersion coefficients in a molecule is proposed for the use in density functional theory with dispersion (DFT-D) correction. The method is based on the local response approximation due to Dobson and Dinte [Phys. Rev. Lett. 76, 1780 (1996)], with modified dielectric model recently proposed by Vydrov and van Voorhis [J. Chem. Phys. 130, 104105 (2009)]. The local response model is used to calculate the distributed multipole polarizabilities of atoms in a molecule, from which the dispersion coefficients are obtained by an explicit frequency integral of the Casimir-Polder type. Thus obtained atomic polarizabilities are also used in the damping function for the short-range singularity. Unlike empirical DFT-D methods, the local response dispersion (LRD) method is able to calculate the dispersion energy from the ground-state electron density only. It is applicable to any geometry, free from physical constants such as van der Waals radii or atomic polarizabilities, and computationally very efficient. The LRD method combined with the long-range corrected DFT functional (LC-BOP) is applied to calculations of S22 weakly bound complex set [Phys. Chem. Chem. Phys. 8, 1985 (2006)]. Binding energies obtained by the LC-BOP + LRD agree remarkably well with ab initio references.

  8. Approximate Methods for Analyzing and Controlling Axisymmetric Instabilities of Elongated Tokamak Plasmas.

    NASA Astrophysics Data System (ADS)

    Frantz, Eric Randall

    Elongation and shaping of the tokamak plasma cross -section can allow increased beta and other favorable improvements. As the cross-section is made non-circular, however, the plasma can become unstable against axisymmetric motions, the most predominant one being a nearly uniform displacement in the direction of elongation. Without additional stabilizing mechanisms, this instability has growth rates typically (TURN)10('6)sec('-1). With passive and active feedback from external conductors, the plasma can be significantly slowed down and controlled. In this work, a mathematical formulism for analyzing the vertical instability is developed in which the external conductors are treated (or broken -up) as discrete coils. The circuit equations for the plasma induced currents can be included within the same mathematical framework. The plasma equation of motion and the circuit equations are combined and manipulated into a diagonalized form that can be graphically analyzed to determine the growth rate. An effective mode approximation (EMA) to the dispersion relation in introduced to simplify and approximate the growth rate of the more exact case. Controller voltage equations for active feedback are generalized to include position and velocity feedback and time delay. A position cut-off displacement is added to model finite spatial resolution of the position detectors or a dead-band voltage level. Stability criteria are studied for EMA and the more exact case. The time dependent responses for plasma position controller voltages, and currents are determined from the Laplace transformations. Slow responses are separated from the fast ones (dependent on plasma inertia) using a typical tokamak ordering approximation. The methods developed are applied in numerous examples for the machine geometry and plasma of TNS, an inside-D configuration plasma resembling JET, INTOR, or FED.

  9. An improved approximate-Bayesian model-choice method for estimating shared evolutionary history

    PubMed Central

    2014-01-01

    Background To understand biological diversification, it is important to account for large-scale processes that affect the evolutionary history of groups of co-distributed populations of organisms. Such events predict temporally clustered divergences times, a pattern that can be estimated using genetic data from co-distributed species. I introduce a new approximate-Bayesian method for comparative phylogeographical model-choice that estimates the temporal distribution of divergences across taxa from multi-locus DNA sequence data. The model is an extension of that implemented in msBayes. Results By reparameterizing the model, introducing more flexible priors on demographic and divergence-time parameters, and implementing a non-parametric Dirichlet-process prior over divergence models, I improved the robustness, accuracy, and power of the method for estimating shared evolutionary history across taxa. Conclusions The results demonstrate the improved performance of the new method is due to (1) more appropriate priors on divergence-time and demographic parameters that avoid prohibitively small marginal likelihoods for models with more divergence events, and (2) the Dirichlet-process providing a flexible prior on divergence histories that does not strongly disfavor models with intermediate numbers of divergence events. The new method yields more robust estimates of posterior uncertainty, and thus greatly reduces the tendency to incorrectly estimate models of shared evolutionary history with strong support. PMID:24992937

  10. Multi-scale crystal growth computations via an approximate block Newton method

    NASA Astrophysics Data System (ADS)

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

    2010-04-01

    Multi-scale and multi-physics simulations, such as the computational modeling of crystal growth processes, will benefit from the modular coupling of existing codes rather than the development of monolithic, single-application software. An effective coupling approach, the approximate block Newton approach (ABN), is developed and applied to the steady-state computation of crystal growth in an electrodynamic gradient freeze system. Specifically, the code CrysMAS is employed for furnace-scale heat transfer computations and is coupled with the code Cats2D to calculate melt fluid dynamics and phase-change phenomena. The ABN coupling strategy proves to be vastly more reliable and cost efficient than simpler coupling methods for this problem and is a promising approach for future crystal growth models.

  11. Coherent-potential approximation in the tight-binding linear muffin-tin orbital method

    NASA Astrophysics Data System (ADS)

    Singh, Prabhakar P.; Gonis, A.

    1993-07-01

    We describe a consistent approach for applying the coherent-potential approximation (CPA) to the various representations of the linear muffin-tin orbital method. Unlike the previous works of Kudrnovský et al. [Phys. Rev. B 35, 2487 (1987); 41, 7515 (1990)], our results for the ensemble-averaged Green functions in the tight-binding representation yield E- and r-dependent quantities that are consistent with the traditional applications of the single-site CPA. To illustrate the reliability and the usefulness of our approach we compare the nonspherically averaged charge densities, calculated in real space, of ordered NiPt in L10 structure and the substitutionally disordered Ni0.5Pt0.5 on a face-centered-cubic lattice.

  12. Relaxation and approximate factorization methods for the unsteady full potential equation

    NASA Technical Reports Server (NTRS)

    Shankar, V.; Ide, H.; Gorski, J.

    1984-01-01

    The unsteady form of the full potential equation is solved in conservation form, using implicit methods based on approximate factorization and relaxation schemes. A local time linearization for density is introduced to enable solution to the equation in terms of phi, the velocity potential. A novel flux-biasing technique is applied to generate proper forms of the artificial viscosity, to treat hyperbolic regions with shocks and sonic lines present. The wake is properly modeled by accounting not only for jumps in phi, but also for jumps in higher derivatives of phi obtained from requirements of density continuity. The far field is modeled using the Riemann invariants to simulate nonreflecting boundary conditions. Results are presented for flows over airfoils, cylinders, and spheres. Comparisons are made with available Euler and full potential results.

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

    PubMed Central

    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

  14. Nonadaptive methods for polyhedral approximation of the Edgeworth—Pareto hull using suboptimal coverings on the direction sphere

    NASA Astrophysics Data System (ADS)

    Lotov, A. V.; Maiskaya, T. S.

    2012-01-01

    For multicriteria convex optimization problems, new nonadaptive methods are proposed for polyhedral approximation of the multidimensional Edgeworth-Pareto hull (EPH), which is a maximal set having the same Pareto frontier as the set of feasible criteria vectors. The methods are based on evaluating the support function of the EPH for a collection of directions generated by a suboptimal covering on the unit sphere. Such directions are constructed in advance by applying an asymptotically effective adaptive method for the polyhedral approximation of convex compact bodies, namely, by the estimate refinement method. Due to the a priori definition of the directions, the proposed EPH approximation procedure can easily be implemented with parallel computations. Moreover, the use of nonadaptive methods considerably simplifies the organization of EPH approximation on the Internet. Experiments with an applied problem (from 3 to 5 criteria) showed that the methods are fairly similar in characteristics to adaptive methods. Therefore, they can be used in parallel computations and on the Internet.

  15. Rational trigonometric approximations using Fourier series partial sums

    NASA Technical Reports Server (NTRS)

    Geer, James F.

    1993-01-01

    A class of approximations (S(sub N,M)) to a periodic function f which uses the ideas of Pade, or rational function, approximations based on the Fourier series representation of f, rather than on the Taylor series representation of f, is introduced and studied. Each approximation S(sub N,M) is the quotient of a trigonometric polynomial of degree N and a trigonometric polynomial of degree M. The coefficients in these polynomials are determined by requiring that an appropriate number of the Fourier coefficients of S(sub N,M) agree with those of f. Explicit expressions are derived for these coefficients in terms of the Fourier coefficients of f. It is proven that these 'Fourier-Pade' approximations converge point-wise to (f(x(exp +))+f(x(exp -)))/2 more rapidly (in some cases by a factor of 1/k(exp 2M)) than the Fourier series partial sums on which they are based. The approximations are illustrated by several examples and an application to the solution of an initial, boundary value problem for the simple heat equation is presented.

  16. Geometry of the steady-state approximation: Perturbation and accelerated convergence methods

    NASA Astrophysics Data System (ADS)

    Roussel, Marc R.; Fraser, Simon J.

    1990-07-01

    The time evolution of two model enzyme reactions is represented in phase space Γ. The phase flow is attracted to a unique trajectory, the slow manifold M, before it reaches the point equilibrium of the system. Locating M describes the slow time evolution precisely, and allows all rate constants to be obtained from steady-state data. The line set M is found by solution of a functional equation derived from the flow differential equations. For planar systems, the steady-state (SSA) and equilibrium (EA) approximations bound a trapping region containing M, and direct iteration and perturbation theory are formally equivalent solutions of the functional equation. The iteration's convergence is examined by eigenvalue methods. In many dimensions, the nullcline surfaces of the flow in Γ form a prism-shaped region containing M, but this prism is not a simple trap for the flow. Two of its edges are EA and SSA. Perturbation expansion and direct iteration are now no longer equivalent procedures; they are compared in a three-dimensional example. Convergence of the iterative scheme can be accelerated by a generalization of Aitken's δ2 extrapolation, greatly reducing the global error. These operations can be carried out using an algebraic manipulative language. Formally, all these techniques can be carried out in many dimensions.

  17. Simple finite element methods for approximating predator-prey dynamics in two dimensions using MATLAB.

    PubMed

    Garvie, Marcus R; Burkardt, John; Morgan, Jeff

    2015-03-01

    We describe simple finite element schemes for approximating spatially extended predator-prey dynamics with the Holling type II functional response and logistic growth of the prey. The finite element schemes generalize 'Scheme 1' in the paper by Garvie (Bull Math Biol 69(3):931-956, 2007). We present user-friendly, open-source MATLAB code for implementing the finite element methods on arbitrary-shaped two-dimensional domains with Dirichlet, Neumann, Robin, mixed Robin-Neumann, mixed Dirichlet-Neumann, and Periodic boundary conditions. Users can download, edit, and run the codes from http://www.uoguelph.ca/~mgarvie/ . In addition to discussing the well posedness of the model equations, the results of numerical experiments are presented and demonstrate the crucial role that habitat shape, initial data, and the boundary conditions play in determining the spatiotemporal dynamics of predator-prey interactions. As most previous works on this problem have focussed on square domains with standard boundary conditions, our paper makes a significant contribution to the area. PMID:25616741

  18. Heats of Segregation of BCC Metals Using Ab Initio and Quantum Approximate Methods

    NASA Technical Reports Server (NTRS)

    Good, Brian; Chaka, Anne; Bozzolo, Guillermo

    2003-01-01

    Many multicomponent alloys exhibit surface segregation, in which the composition at or near a surface may be substantially different from that of the bulk. A number of phenomenological explanations for this tendency have been suggested, involving, among other things, differences among the components' surface energies, molar volumes, and heats of solution. From a theoretical standpoint, the complexity of the problem has precluded a simple, unified explanation, thus preventing the development of computational tools that would enable the identification of the driving mechanisms for segregation. In that context, we investigate the problem of surface segregation in a variety of bcc metal alloys by computing dilute-limit heats of segregation using both the quantum-approximate energy method of Bozzolo, Ferrante and Smith (BFS), and all-electron density functional theory. In addition, the composition dependence of the heats of segregation is investigated using a BFS-based Monte Carlo procedure, and, for selected cases of interest, density functional calculations. Results are discussed in the context of a simple picture that describes segregation behavior as the result of a competition between size mismatch and alloying effects

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

    NASA Astrophysics Data System (ADS)

    Kopka, P.; Wawrzynczak, A.; Borysiewicz, M.

    2015-09-01

    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.

  20. Scalable learning method for feedforward neural networks using minimal-enclosing-ball approximation.

    PubMed

    Wang, Jun; Deng, Zhaohong; Luo, Xiaoqing; Jiang, Yizhang; Wang, Shitong

    2016-06-01

    Training feedforward neural networks (FNNs) is one of the most critical issues in FNNs studies. However, most FNNs training methods cannot be directly applied for very large datasets because they have high computational and space complexity. In order to tackle this problem, the CCMEB (Center-Constrained Minimum Enclosing Ball) problem in hidden feature space of FNN is discussed and a novel learning algorithm called HFSR-GCVM (hidden-feature-space regression using generalized core vector machine) is developed accordingly. In HFSR-GCVM, a novel learning criterion using L2-norm penalty-based ε-insensitive function is formulated and the parameters in the hidden nodes are generated randomly independent of the training sets. Moreover, the learning of parameters in its output layer is proved equivalent to a special CCMEB problem in FNN hidden feature space. As most CCMEB approximation based machine learning algorithms, the proposed HFSR-GCVM training algorithm has the following merits: The maximal training time of the HFSR-GCVM training is linear with the size of training datasets and the maximal space consumption is independent of the size of training datasets. The experiments on regression tasks confirm the above conclusions. PMID:27049545

  1. An Evaluation of Solution Algorithms and Numerical Approximation Methods for Modeling an Ion Exchange Process

    PubMed Central

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

    2010-01-01

    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. PMID:20577570

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  4. Evaluation of Several Approximate Methods for Calculating the Symmetrical Bending-Moment Response of Flexible Airplanes to Isotropic Atmospheric Turbulence

    NASA Technical Reports Server (NTRS)

    Bennett, Floyd V.; Yntema, Robert T.

    1959-01-01

    Several approximate procedures for calculating the bending-moment response of flexible airplanes to continuous isotropic turbulence are presented and evaluated. The modal methods (the mode-displacement and force-summation methods) and a matrix method (segmented-wing method) are considered. These approximate procedures are applied to a simplified airplane for which an exact solution to the equation of motion can be obtained. The simplified airplane consists of a uniform beam with a concentrated fuselage mass at the center. Airplane motions are limited to vertical rigid-body translation and symmetrical wing bending deflections. Output power spectra of wing bending moments based on the exact transfer-function solutions are used as a basis for the evaluation of the approximate methods. It is shown that the force-summation and the matrix methods give satisfactory accuracy and that the mode-displacement method gives unsatisfactory accuracy.

  5. Approximate analysis method for statistical properties of seismic response of secondary system

    SciTech Connect

    Aoki, Shigeru

    1996-12-01

    In this paper, effectiveness of a stationary approximation is examined. The mean square response and the first excursion probability of the secondary system such as pipings and mechanical equipment installed in the primary system such as building subjected to nonstationary random excitation are obtained. Results obtained by stationary approximation are compared with those obtained by nonstationary analysis for various values of damping ratio, natural period and mass ratio of the secondary system to the primary system.

  6. A novel window based method for approximating the Hausdorff in 3D range imagery.

    SciTech Connect

    Koch, Mark William

    2004-10-01

    Matching a set of 3D points to another set of 3D points is an important part of any 3D object recognition system. The Hausdorff distance is known for it robustness in the face of obscuration, clutter, and noise. We show how to approximate the 3D Hausdorff fraction with linear time complexity and quadratic space complexity. We empirically demonstrate that the approximation is very good when compared to actual Hausdorff distances.

  7. Transfer induced by core excitation within an extended distorted-wave Born approximation method

    NASA Astrophysics Data System (ADS)

    Gómez-Ramos, M.; Moro, A. M.; Gómez-Camacho, J.; Thompson, I. J.

    2015-07-01

    Background: Dynamic core-excitation effects have been found to be of importance in breakup reactions and may be of relevance when obtaining spectroscopic information from transfer reactions. Purpose: In this paper we extend the distorted-wave Born approximation (DWBA) formalism in order to allow for noncentral components in the core-core term appearing in the transition operator, which allows for dynamic core-excitation effects. Then we study these effects by applying the formalism to different (d ,p ) reactions. Methods: The expression of the nonlocal kernels required for the evaluation of the DWBA amplitudes has been extended so as to include noncentral parts in the core-core interaction. The DWBA scattering amplitude is then obtained by solving the corresponding inhomogeneous equation, with the new computed kernels, and the usual outgoing boundary conditions. A new DWBA code has been developed for this purpose. Results: For 10Be(d ,p ) 11Be , core-excitation effects are found to be almost negligible (<3 %) . The importance of this effect has been found to depend to a large extent on the excitation energy of the core. This has been confirmed in the 30Ne(d ,p ) 31Ne case, for which the excitation energy of the first 2+ state is 0.8 MeV, and the effect of core excitation increases to ≈10 % . Conclusions: We find dynamic core-excitation effects in transfer reactions to have small contributions to cross sections, in general. However, they should not be neglected, since they may modify the spectroscopic information obtained from these reactions and may become of importance in reactions with nuclei with a core with high deformation and low excitation energy.

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

    NASA Technical Reports Server (NTRS)

    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.

  9. High-order-harmonic spectra from atoms in intense laser fields: Exact versus approximate methods

    NASA Astrophysics Data System (ADS)

    Pugliese, S. N.; Simonsen, A. S.; Førre, M.; Hansen, J. P.

    2015-08-01

    We compare harmonic spectra from hydrogen based on the numerical solution of the time-dependent Schrödinger equation and three approximate models: (i) the strong field approximation (SFA), (ii) the Coulomb-Volkov modified strong field approximation (CVA), and (iii) the strong field approximation with the stationary phase approximation applied to the momentum integrals (SPSFA). At laser intensities in the range of (1 -3 ) ×1014W/cm 2 we find good agreement when comparing the SFA and CVA with exact results. In general the CVA displays an overall better agreement with ab initio results, which reflects the role of the Coulomb field in the ionization as well as in the recombination process. Furthermore, it is found that the widely used SPSFA breaks down for low-order harmonic generation; i.e., the approximation turns out to be accurate only in the outer part of the harmonic plateau region as well as in the cutoff region. We trace this deficiency to the singularity of the SPSFA associated with short trajectories, i.e., short return times. When removing these, we obtain a version of the SPSFA which works rather well for the entire harmonic spectrum.

  10. Stochastic approximation methods for fusion-rule estimation in multiple sensor systems

    SciTech Connect

    Rao, N.S.V.

    1994-06-01

    A system of N sensors S{sub 1}, S{sub 2},{hor_ellipsis},S{sub N} is considered; corresponding to an object with parameter x {element_of} {Re}{sup d}, sensor S{sub i} yields output y{sup (i)}{element_of}{Re}{sup d} according to an unknown probability distribution p{sub i}(y{sup (i)}{vert_bar}x). A training l-sample (x{sub 1}, y{sub 1}), (x{sub 2}, y{sub 2}),{hor_ellipsis},(x{sub l}, y{sub l}) is given where y{sub i} = (y{sub i}({sup 1}), y{sub i}({sup 2}),{hor_ellipsis},y{sub i}({sup N}) and y{sub i}({sup j}) is the output of S{sub j} in response to input X{sub i}. The problem is to estimate a fusion rule f : {Re}{sup Nd} {yields} {Re}{sup d}, based on the sample, such that the expected square error I(f) = {integral}[x {minus} f(y{sup 1}, y{sup 2},{hor_ellipsis},y{sup N})]{sup 2} p(y{sup 1}, y{sup 2},{hor_ellipsis},y{sup N}){vert_bar}x)p(x)dy{sup 1}dy{sup 2} {hor_ellipsis} dy{sup N}dx is to be minimized over a family of fusion rules {lambda} based on the given l-sample. Let f{sub *} {element_of} {lambda} minimize I(f); f{sub *} cannot be computed since the underlying probability distributions are unknown. Three stochastic approximation methods are presented to compute {cflx f}, such that under suitable conditions, for sufficiently large sample, P[I{cflx f} {minus} I(f{sub *}) > {epsilon}] < {delta} for arbitrarily specified {epsilon} > 0 and {delta}, 0 < {delta} < 1. The three methods are based on Robbins-Monro style algorithms, empirical risk minimization, and regression estimation algorithms.

  11. Exponential-fitted methods for integrating stiff systems of ordinary differential equations: Applications to homogeneous gas-phase chemical kinetics

    NASA Technical Reports Server (NTRS)

    Pratt, D. T.

    1984-01-01

    Conventional algorithms for the numerical integration of ordinary differential equations (ODEs) are based on the use of polynomial functions as interpolants. However, the exact solutions of stiff ODEs behave like decaying exponential functions, which are poorly approximated by polynomials. An obvious choice of interpolant are the exponential functions themselves, or their low-order diagonal Pade (rational function) approximants. A number of explicit, A-stable, integration algorithms were derived from the use of a three-parameter exponential function as interpolant, and their relationship to low-order, polynomial-based and rational-function-based implicit and explicit methods were shown by examining their low-order diagonal Pade approximants. A robust implicit formula was derived by exponential fitting the trapezoidal rule. Application of these algorithms to integration of the ODEs governing homogenous, gas-phase chemical kinetics was demonstrated in a developmental code CREK1D, which compares favorably with the Gear-Hindmarsh code LSODE in spite of the use of a primitive stepsize control strategy.

  12. A Novel Method of the Generalized Interval-Valued Fuzzy Rough Approximation Operators

    PubMed Central

    Xue, Tianyu; Xue, Zhan'ao; Cheng, Huiru; Liu, Jie; Zhu, Tailong

    2014-01-01

    Rough set theory is a suitable tool for dealing with the imprecision, uncertainty, incompleteness, and vagueness of knowledge. In this paper, new lower and upper approximation operators for generalized fuzzy rough sets are constructed, and their definitions are expanded to the interval-valued environment. Furthermore, the properties of this type of rough sets are analyzed. These operators are shown to be equivalent to the generalized interval fuzzy rough approximation operators introduced by Dubois, which are determined by any interval-valued fuzzy binary relation expressed in a generalized approximation space. Main properties of these operators are discussed under different interval-valued fuzzy binary relations, and the illustrative examples are given to demonstrate the main features of the proposed operators. PMID:25162065

  13. Approximation methods for inverse problems involving the vibration of beams with tip bodies

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1984-01-01

    Two cubic spline based approximation schemes for the estimation of structural parameters associated with the transverse vibration of flexible beams with tip appendages are outlined. The identification problem is formulated as a least squares fit to data subject to the system dynamics which are given by a hybrid system of coupled ordinary and partial differential equations. The first approximation scheme is based upon an abstract semigroup formulation of the state equation while a weak/variational form is the basis for the second. Cubic spline based subspaces together with a Rayleigh-Ritz-Galerkin approach were used to construct sequences of easily solved finite dimensional approximating identification problems. Convergence results are briefly discussed and a numerical example demonstrating the feasibility of the schemes and exhibiting their relative performance for purposes of comparison is provided.

  14. Development of approximate method to analyze the characteristics of latent heat thermal energy storage system

    SciTech Connect

    Saitoh, T.S.; Hoshi, Akira

    1999-07-01

    numerical methods (e.g. Saitoh and Kato, 1994). In addition, close-contact melting heat transfer characteristics including melt flow in the liquid film under inner wall temperature distribution were analyzed and simple approximate equations were already presented by Saitoh and Hoshi (1997). In this paper, the authors will propose an analytical solution on combined close-contact and natural convection melting in horizontal cylindrical and spherical capsules, which is useful for the practical capsule bed LHTES system.

  15. An Alternating Least Squares Method for the Weighted Approximation of a Symmetric Matrix.

    ERIC Educational Resources Information Center

    ten Berge, Jos M. F.; Kiers, Henk A. L.

    1993-01-01

    R. A. Bailey and J. C. Gower explored approximating a symmetric matrix "B" by another, "C," in the least squares sense when the squared discrepancies for diagonal elements receive specific nonunit weights. A solution is proposed where "C" is constrained to be positive semidefinite and of a fixed rank. (SLD)

  16. Interfacing relativistic and nonrelativistic methods. III. Atomic 4-spinor expansions and integral approximations

    NASA Astrophysics Data System (ADS)

    Dyall, Kenneth G.; Enevoldsen, Thomas

    1999-12-01

    Two approximations to the normalized elimination of the small component are presented which enable the work of a relativistic calculation to be substantially reduced. The first involves fixing the ratio of the large and small components in atomic calculations, which corresponds to a basis set expansion in terms of positive energy atomic 4-spinors. The second involves the definition of a local, i.e., center-dependent, fine structure constant, which has the effect of making atoms with α=0 nonrelativistic. A series of test calculations on a variety of molecules and properties indicates that the errors incurred in the first approximation are negligible. In the second approximation, the errors are dependent on the property, the chemical environment and the atomic number. For the second period elements the errors in the approximation are for chemical purposes negligible. In the third period this is true for many properties, but for some, such as ligand-metal binding energies, there are discrepancies which may be a cause for concern in more accurate calculations. Beyond the third period it is usually necessary to treat atoms relativistically.

  17. The method of local linear approximation in the theory of nonlinear functional-differential equations

    SciTech Connect

    Slyusarchuk, Vasilii E

    2010-10-06

    Conditions for the existence of solutions to the nonlinear functional-differential equation (d{sup m}x(t))/dt{sup m} + (fx)(t)=h(t), t element of R in the space of functions bounded on the axes are obtained by using local linear approximation to the operator F. Bibliography: 21 items.

  18. Insights on the local density approximation plasma polarization shift as provided by the optimum potential method

    SciTech Connect

    Wilson, B.; Liberman, D.A.

    1995-01-18

    The plasma polarization shift computed with a Local Density Functional model of an ion-sphere model is compared with results calculated using an optimum central field effective exchange potential. Indications are that the bulk of the shift is an artifact of the approximate exchange functional describing the interaction between bound and continuum orbitals in the LDA.

  19. Closure to new results for an approximate method for calculating two-dimensional furrow infiltration

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In a discussion paper, Ebrahimian and Noury (2015) raised several concerns about an approximate solution to the two-dimensional Richards equation presented by Bautista et al (2014). The solution is based on a procedure originally proposed by Warrick et al. (2007). Such a solution is of practical i...

  20. Stochastic Approximation Methods for Latent Regression Item Response Models. Research Report. ETS RR-09-09

    ERIC Educational Resources Information Center

    von Davier, Matthias; Sinharay, Sandip

    2009-01-01

    This paper presents an application of a stochastic approximation EM-algorithm using a Metropolis-Hastings sampler to estimate the parameters of an item response latent regression model. Latent regression models are extensions of item response theory (IRT) to a 2-level latent variable model in which covariates serve as predictors of the…

  1. An integer order approximation method based on stability boundary locus for fractional order derivative/integrator operators.

    PubMed

    Deniz, Furkan Nur; Alagoz, Baris Baykant; Tan, Nusret; Atherton, Derek P

    2016-05-01

    This paper introduces an integer order approximation method for numerical implementation of fractional order derivative/integrator operators in control systems. The proposed method is based on fitting the stability boundary locus (SBL) of fractional order derivative/integrator operators and SBL of integer order transfer functions. SBL defines a boundary in the parametric design plane of controller, which separates stable and unstable regions of a feedback control system and SBL analysis is mainly employed to graphically indicate the choice of controller parameters which result in stable operation of the feedback systems. This study reveals that the SBL curves of fractional order operators can be matched with integer order models in a limited frequency range. SBL fitting method provides straightforward solutions to obtain an integer order model approximation of fractional order operators and systems according to matching points from SBL of fractional order systems in desired frequency ranges. Thus, the proposed method can effectively deal with stability preservation problems of approximate models. Illustrative examples are given to show performance of the proposed method and results are compared with the well-known approximation methods developed for fractional order systems. The integer-order approximate modeling of fractional order PID controllers is also illustrated for control applications. PMID:26876378

  2. Approximate method for calculating the radiation from a moving charge in the presence of a complex object.

    PubMed

    Belonogaya, Ekaterina S; Tyukhtin, Andrey V; Galyamin, Sergey N

    2013-04-01

    An approximate method for calculating the radiation from a moving charge in the presence of a dielectric object is developed. The method is composed of two steps. The first step is calculation of the field in the medium without considering the external boundaries of the object, and the second step is an approximate (ray-optical) calculation of the wave propagation outside the object. As a test problem, we consider the case of a charge crossing a dielectric plate. Computations of the field are performed using exact and approximate methods. It is shown that the results agree well. Additionally, we apply the method under consideration to the case of a cone-shaped object with a vacuum channel. The radiation energy spectral density as a function of the location of the observation point and the problem's parameters is given. In particular, the convergent radiation effect is described. PMID:23679539

  3. Approaching Phosphorescence Lifetimes in Solution: The Two-Component Polarizable-Embedding Approximate Coupled-Cluster Method.

    PubMed

    Krause, Katharina; Bauer, Mirko; Klopper, Wim

    2016-06-14

    Theoretical description of phosphorescence lifetimes in the condensed phase requires a method that takes into account both spin-orbit coupling and solvent-solute interactions. To obtain such a method, we have coupled our recently developed two-component coupled-cluster method with singles and approximated doubles to a polarizable environment. With this new method, we investigate how different solvents effect the electronic phosphorescence energies and lifetimes of 4H-pyran-4-thione. PMID:27158835

  4. A Diffusion Approximation and Numerical Methods for Adaptive Neuron Models with Stochastic Inputs

    PubMed Central

    Rosenbaum, Robert

    2016-01-01

    Characterizing the spiking statistics of neurons receiving noisy synaptic input is a central problem in computational neuroscience. Monte Carlo approaches to this problem are computationally expensive and often fail to provide mechanistic insight. Thus, the field has seen the development of mathematical and numerical approaches, often relying on a Fokker-Planck formalism. These approaches force a compromise between biological realism, accuracy and computational efficiency. In this article we develop an extension of existing diffusion approximations to more accurately approximate the response of neurons with adaptation currents and noisy synaptic currents. The implementation refines existing numerical schemes for solving the associated Fokker-Planck equations to improve computationally efficiency and accuracy. Computer code implementing the developed algorithms is made available to the public. PMID:27148036

  5. A Diffusion Approximation and Numerical Methods for Adaptive Neuron Models with Stochastic Inputs.

    PubMed

    Rosenbaum, Robert

    2016-01-01

    Characterizing the spiking statistics of neurons receiving noisy synaptic input is a central problem in computational neuroscience. Monte Carlo approaches to this problem are computationally expensive and often fail to provide mechanistic insight. Thus, the field has seen the development of mathematical and numerical approaches, often relying on a Fokker-Planck formalism. These approaches force a compromise between biological realism, accuracy and computational efficiency. In this article we develop an extension of existing diffusion approximations to more accurately approximate the response of neurons with adaptation currents and noisy synaptic currents. The implementation refines existing numerical schemes for solving the associated Fokker-Planck equations to improve computationally efficiency and accuracy. Computer code implementing the developed algorithms is made available to the public. PMID:27148036

  6. Vibration suppression with approximate finite dimensional compensators for distributed systems: Computational methods and experimental results

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Smith, Ralph C.; Wang, Yun

    1994-01-01

    Based on a distributed parameter model for vibrations, an approximate finite dimensional dynamic compensator is designed to suppress vibrations (multiple modes with a broad band of frequencies) of a circular plate with Kelvin-Voigt damping and clamped boundary conditions. The control is realized via piezoceramic patches bonded to the plate and is calculated from information available from several pointwise observed state variables. Examples from computational studies as well as use in laboratory experiments are presented to demonstrate the effectiveness of this design.

  7. The Investigation of Optimal Discrete Approximations for Real Time Flight Simulations

    NASA Technical Reports Server (NTRS)

    Parrish, E. A.; Mcvey, E. S.; Cook, G.; Henderson, K. C.

    1976-01-01

    The results are presented of an investigation of discrete approximations for real time flight simulation. Major topics discussed include: (1) consideration of the particular problem of approximation of continuous autopilots by digital autopilots; (2) use of Bode plots and synthesis of transfer functions by asymptotic fits in a warped frequency domain; (3) an investigation of the various substitution formulas, including the effects of nonlinearities; (4) use of pade approximation to the solution of the matrix exponential arising from the discrete state equations; and (5) an analytical integration of the state equation using interpolated input.

  8. Approximation methods for the solution of inverse problems in lake and sea sediment core analysis

    NASA Technical Reports Server (NTRS)

    Banks, H. T.; Rosen, I. G.

    1985-01-01

    A theoretical model employing one-dimensional (depth) transport equations to describe vertical redistribution of ocean-floor and lake-floor sediment (particulates, volcanic ash, microtektites, or radioactive tracers) by episodic and nonepisodic events including bioturbation is developed analytically and demonstrated. The principles underlying the model are explained; the model equations are derived; the inverse problem of identifying the depth-dependent bioturbation coefficient is addressed; two approximation theorems are presented; and numerical results for two sample problems are presented graphically. It is suggested that compatification, porosity effects, and depth-dependent sedimentation be taken into account when formulating future models.

  9. Fourth order exponential time differencing method with local discontinuous Galerkin approximation for coupled nonlinear Schrodinger equations

    SciTech Connect

    Liang, Xiao; Khaliq, Abdul Q. M.; Xing, Yulong

    2015-01-23

    In this paper, we study a local discontinuous Galerkin method combined with fourth order exponential time differencing Runge-Kutta time discretization and a fourth order conservative method for solving the nonlinear Schrödinger equations. Based on different choices of numerical fluxes, we propose both energy-conserving and energy-dissipative local discontinuous Galerkin methods, and have proven the error estimates for the semi-discrete methods applied to linear Schrödinger equation. The numerical methods are proven to be highly efficient and stable for long-range soliton computations. Finally, extensive numerical examples are provided to illustrate the accuracy, efficiency and reliability of the proposed methods.

  10. A simple approximate method for obtaining spanwise lift distributions over swept wings

    NASA Technical Reports Server (NTRS)

    Diederich, Franklin W

    1948-01-01

    It is shown how Schrenk's empirical method of estimating the lift distribution over straight wings can be adapted to swept wings by replacing the elliptical distribution by a new "ideal" distribution which varies with sweep.The application of the method is discussed in detail and several comparisons are made to show the agreement of the proposed method with more rigorous ones. It is shown how first-order compressibility corrections applicable to subcritical speeds may be included in this method.

  11. A multistage differential transformation method for approximate solution of Hantavirus infection model

    NASA Astrophysics Data System (ADS)

    Gökdoğan, Ahmet; Merdan, Mehmet; Yildirim, Ahmet

    2012-01-01

    The goal of this study is presented a reliable algorithm based on the standard differential transformation method (DTM), which is called the multi-stage differential transformation method (MsDTM) for solving Hantavirus infection model. The results obtanied by using MsDTM are compared to those obtained by using the Runge-Kutta method (R-K-method). The proposed technique is a hopeful tool to solving for a long time intervals in this kind of systems.

  12. Introducing AN Interpolation Method to Efficiently Implement AN Approximate Maximum Likelihood Estimator for the Hurst Exponent

    NASA Astrophysics Data System (ADS)

    Chang, Yen-Ching

    2015-10-01

    The efficiency and accuracy of estimating the Hurst exponent have been two inevitable considerations. Recently, an efficient implementation of the maximum likelihood estimator (MLE) (simply called the fast MLE) for the Hurst exponent was proposed based on a combination of the Levinson algorithm and Cholesky decomposition, and furthermore the fast MLE has also considered all four possible cases, including known mean, unknown mean, known variance, and unknown variance. In this paper, four cases of an approximate MLE (AMLE) were obtained based on two approximations of the logarithmic determinant and the inverse of a covariance matrix. The computational cost of the AMLE is much lower than that of the MLE, but a little higher than that of the fast MLE. To raise the computational efficiency of the proposed AMLE, a required power spectral density (PSD) was indirectly calculated by interpolating two suitable PSDs chosen from a set of established PSDs. Experimental results show that the AMLE through interpolation (simply called the interpolating AMLE) can speed up computation. The computational speed of the interpolating AMLE is on average over 24 times quicker than that of the fast MLE while remaining the accuracy very close to that of the MLE or the fast MLE.

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

    NASA Astrophysics Data System (ADS)

    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.

  14. Newton's method applied to finite-difference approximations for the steady-state compressible Navier-Stokes equations

    NASA Technical Reports Server (NTRS)

    Bailey, Harry E.; Beam, Richard M.

    1991-01-01

    Finite-difference approximations for steady-state compressible Navier-Stokes equations, whose two spatial dimensions are written in generalized curvilinear coordinates and strong conservation-law form, are presently solved by means of Newton's method in order to obtain a lifting-airfoil flow field under subsonic and transonnic conditions. In addition to ascertaining the computational requirements of an initial guess ensuring convergence and the degree of computational efficiency obtainable via the approximate Newton method's freezing of the Jacobian matrices, attention is given to the need for auxiliary methods assessing the temporal stability of steady-state solutions. It is demonstrated that nonunique solutions of the finite-difference equations are obtainable by Newton's method in conjunction with a continuation method.

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

    SciTech Connect

    Kim, S.

    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.

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

    SciTech Connect

    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.

  17. Method of adiabatic modes in research of smoothly irregular integrated optical waveguides: zero approximation

    SciTech Connect

    Egorov, A A; Sevast'yanov, L A; Sevast'yanov, A L

    2014-02-28

    We consider the application of the method of adiabatic waveguide modes for calculating the propagation of electromagnetic radiation in three-dimensional (3D) irregular integrated optical waveguides. The method of adiabatic modes takes into account a three-dimensional distribution of quasi-waveguide modes and explicit ('inclined') tangential boundary conditions. The possibilities of the method are demonstrated on the example of numerical research of two major elements of integrated optics: a waveguide of 'horn' type and a thin-film generalised waveguide Luneburg lens by the methods of adiabatic modes and comparative waveguides. (integral optical waveguides)

  18. Two-stream approximations to radiative transfer in planetary atmospheres - A unified description of existing methods and a new improvement

    NASA Technical Reports Server (NTRS)

    Meador, W. E.; Weaver, W. R.

    1980-01-01

    Existing two-stream approximations to radiative transfer theory for particulate media are shown to be represented by identical forms of coupled differential equations if the intensity is replaced by integrals of the intensity over hemispheres. One set of solutions thus suffices for all methods and provides convenient analytical comparisons. The equations also suggest modifications of the standard techniques so as to duplicate exact solutions for thin atmospheres and thus permit accurate determinations of the effects of typical aerosol layers. Numerical results for the plane albedos of plane-parallel atmospheres are given for conventional and modified Eddington approximations, conventional and modified two-point quadrature schemes, the hemispheric-constant method and the delta-function method, all for comparison with accurate discrete-ordinate solutions. A new two-stream approximation is introduced that reduces to the modified Eddington approximation in the limit of isotropic phase functions and to the exact solution in the limit of extreme anisotropic scattering. Comparisons of plane albedos and transmittances show the new method to be generally superior over a wide range of atmospheric conditions (including cloud and aerosol layers), especially in the case of nonconservative scattering.

  19. A new analytic approximation method for the non-zero angular momentum states of the Hulthén potential

    NASA Astrophysics Data System (ADS)

    Dutt, Ranabir; Mukherji, Uma

    1982-08-01

    We propose a new approximation scheme to obtain analytic expressions for the bond-state energies and eigenfunctions for any arbitrary bound nl-state of the Hulthén potential. The predicted energies Enl are in excellent agreement with the perturbative results of Lai and Lin. The scope for an extension of the method to the continuum states is also discussed.

  20. A 3D finite element ALE method using an approximate Riemann solution

    DOE PAGESBeta

    Chiravalle, V. P.; Morgan, N. R.

    2016-08-09

    Arbitrary Lagrangian–Eulerian finite volume methods that solve a multidimensional Riemann-like problem at the cell center in a staggered grid hydrodynamic (SGH) arrangement have been proposed. This research proposes a new 3D finite element arbitrary Lagrangian–Eulerian SGH method that incorporates a multidimensional Riemann-like problem. Here, two different Riemann jump relations are investigated. A new limiting method that greatly improves the accuracy of the SGH method on isentropic flows is investigated. A remap method that improves upon a well-known mesh relaxation and remapping technique in order to ensure total energy conservation during the remap is also presented. Numerical details and test problemmore » results are presented.« less

  1. High order filtering methods for approximating hyberbolic systems of conservation laws

    NASA Technical Reports Server (NTRS)

    Lafon, F.; Osher, S.

    1990-01-01

    In the computation of discontinuous solutions of hyperbolic systems of conservation laws, the recently developed essentially non-oscillatory (ENO) schemes appear to be very useful. However, they are computationally costly compared to simple central difference methods. A filtering method which is developed uses simple central differencing of arbitrarily high order accuracy, except when a novel local test indicates the development of spurious oscillations. At these points, the full ENO apparatus is used, maintaining the high order of accuracy, but removing spurious oscillations. Numerical results indicate the success of the method. High order of accuracy was obtained in regions of smooth flow without spurious oscillations for a wide range of problems and a significant speed up of generally a factor of almost three over the full ENO method.

  2. Flux vector splitting and approximate Newton methods. [for solution of steady Euler equations

    NASA Technical Reports Server (NTRS)

    Jespersen, D. C.; Pulliam, T. H.

    1983-01-01

    In the present investigation, the basic approach is employed to view an iterative scheme as Newton's method or as a modified Newton's method. Attention is given to various modified Newton methods which can arise from differencing schemes for the Euler equations. Flux vector splitting is considered as the basic spatial differencing technique. This technique is based on the partition of a flux vector into groups which have certain properties. The Euler equations fluxes can be split into two groups, the first group having a flux Jacobian with all positive eigenvalues, and the second group having a flux Jacobian with all negative eigenvalues. Flux vector splitting based on a velocity-sound speed split is considered along with the use of numerical techniques to analyze nonlinear systems, and the steady Euler equations for quasi-one-dimensional flow in a nozzle. Results are given for steady flows with shocks.

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

    SciTech Connect

    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).

  4. Iterative and direct methods employing distributed approximating functionals for the reconstruction of a potential energy surface from its sampled values

    NASA Astrophysics Data System (ADS)

    Szalay, Viktor

    1999-11-01

    The reconstruction of a function from knowing only its values on a finite set of grid points, that is the construction of an analytical approximation reproducing the function with good accuracy everywhere within the sampled volume, is an important problem in all branches of sciences. One such problem in chemical physics is the determination of an analytical representation of Born-Oppenheimer potential energy surfaces by ab initio calculations which give the value of the potential at a finite set of grid points in configuration space. This article describes the rudiments of iterative and direct methods of potential surface reconstruction. The major new results are the derivation, numerical demonstration, and interpretation of a reconstruction formula. The reconstruction formula derived approximates the unknown function, say V, by linear combination of functions obtained by discretizing the continuous distributed approximating functional (DAF) approximation of V over the grid of sampling. The simplest of contracted and ordinary Hermite-DAFs are shown to be sufficient for reconstruction. The linear combination coefficients can be obtained either iteratively or directly by finding the minimal norm least-squares solution of a linear system of equations. Several numerical examples of reconstructing functions of one and two variables, and very different shape are given. The examples demonstrate the robustness, high accuracy, as well as the caveats of the proposed method. As to the mathematical foundation of the method, it is shown that the reconstruction formula can be interpreted as, and in fact is, frame expansion. By recognizing the relevance of frames in determining analytical approximation to potential energy surfaces, an extremely rich and beautiful toolbox of mathematics has come to our disposal. Thus, the simple reconstruction method derived in this paper can be refined, extended, and improved in numerous ways.

  5. High order filtering methods for approximating hyperbolic systems of conservation laws

    NASA Technical Reports Server (NTRS)

    Lafon, F.; Osher, S.

    1991-01-01

    The essentially nonoscillatory (ENO) schemes, while potentially useful in the computation of discontinuous solutions of hyperbolic conservation-law systems, are computationally costly relative to simple central-difference methods. A filtering technique is presented which employs central differencing of arbitrarily high-order accuracy except where a local test detects the presence of spurious oscillations and calls upon the full ENO apparatus to remove them. A factor-of-three speedup is thus obtained over the full-ENO method for a wide range of problems, with high-order accuracy in regions of smooth flow.

  6. Spectral approximation methods and error estimates for Caputo fractional derivative with applications to initial-value problems

    NASA Astrophysics Data System (ADS)

    Duan, Beiping; Zheng, Zhoushun; Cao, Wen

    2016-08-01

    In this paper, we revisit two spectral approximations, including truncated approximation and interpolation for Caputo fractional derivative. The two approaches have been studied to approximate Riemann-Liouville (R-L) fractional derivative by Chen et al. and Zayernouri et al. respectively in their most recent work. For truncated approximation the reconsideration partly arises from the difference between fractional derivative in R-L sense and Caputo sense: Caputo fractional derivative requires higher regularity of the unknown than R-L version. Another reason for the reconsideration is that we distinguish the differential order of the unknown with the index of Jacobi polynomials, which is not presented in the previous work. Also we provide a way to choose the index when facing multi-order problems. By using generalized Hardy's inequality, the gap between the weighted Sobolev space involving Caputo fractional derivative and the classical weighted space is bridged, then the optimal projection error is derived in the non-uniformly Jacobi-weighted Sobolev space and the maximum absolute error is presented as well. For the interpolation, analysis of interpolation error was not given in their work. In this paper we build the interpolation error in non-uniformly Jacobi-weighted Sobolev space by constructing fractional inverse inequality. With combining collocation method, the approximation technique is applied to solve fractional initial-value problems (FIVPs). Numerical examples are also provided to illustrate the effectiveness of this algorithm.

  7. A Discontinuous Galerkin Method for Parabolic Problems with Modified hp-Finite Element Approximation Technique

    NASA Technical Reports Server (NTRS)

    Kaneko, Hideaki; Bey, Kim S.; Hou, Gene J. W.

    2004-01-01

    A recent paper is generalized to a case where the spatial region is taken in R(sup 3). The region is assumed to be a thin body, such as a panel on the wing or fuselage of an aerospace vehicle. The traditional h- as well as hp-finite element methods are applied to the surface defined in the x - y variables, while, through the thickness, the technique of the p-element is employed. Time and spatial discretization scheme based upon an assumption of certain weak singularity of double vertical line u(sub t) double vertical line 2, is used to derive an optimal a priori error estimate for the current method.

  8. Window-based method for approximating the Hausdorff in three-dimensional range imagery

    DOEpatents

    Koch, Mark W.

    2009-06-02

    One approach to pattern recognition is to use a template from a database of objects and match it to a probe image containing the unknown. Accordingly, the Hausdorff distance can be used to measure the similarity of two sets of points. In particular, the Hausdorff can measure the goodness of a match in the presence of occlusion, clutter, and noise. However, existing 3D algorithms for calculating the Hausdorff are computationally intensive, making them impractical for pattern recognition that requires scanning of large databases. The present invention is directed to a new method that can efficiently, in time and memory, compute the Hausdorff for 3D range imagery. The method uses a window-based approach.

  9. Integral approximants for functions of higher monodromic dimension

    SciTech Connect

    Baker, G.A. Jr.

    1987-01-01

    In addition to the description of multiform, locally analytic functions as covering a many sheeted version of the complex plane, Riemann also introduced the notion of considering them as describing a space whose ''monodromic'' dimension is the number of linearly independent coverings by the monogenic analytic function at each point of the complex plane. I suggest that this latter concept is natural for integral approximants (sub-class of Hermite-Pade approximants) and discuss results for both ''horizontal'' and ''diagonal'' sequences of approximants. Some theorems are now available in both cases and make clear the natural domain of convergence of the horizontal sequences is a disk centered on the origin and that of the diagonal sequences is a suitably cut complex-plane together with its identically cut pendant Riemann sheets. Some numerical examples have also been computed.

  10. Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

    PubMed Central

    2007-01-01

    Several modifications that have been made to the NDDO core-core interaction term and to the method of parameter optimization are described. These changes have resulted in a more complete parameter optimization, called PM6, which has, in turn, allowed 70 elements to be parameterized. The average unsigned error (AUE) between calculated and reference heats of formation for 4,492 species was 8.0 kcal mol−1. For the subset of 1,373 compounds involving only the elements H, C, N, O, F, P, S, Cl, and Br, the PM6 AUE was 4.4 kcal mol−1. The equivalent AUE for other methods were: RM1: 5.0, B3LYP 6–31G*: 5.2, PM5: 5.7, PM3: 6.3, HF 6–31G*: 7.4, and AM1: 10.0 kcal mol−1. Several long-standing faults in AM1 and PM3 have been corrected and significant improvements have been made in the prediction of geometries. Figure Calculated structure of the complex ion [Ta6Cl12]2+ (footnote): Reference value in parenthesis Electronic supplementary material The online version of this article (doi:10.1007/s00894-007-0233-4) contains supplementary material, which is available to authorized users. PMID:17828561

  11. Approximate natural vibration analysis of rectangular plates with openings using assumed mode method

    NASA Astrophysics Data System (ADS)

    Cho, Dae Seung; Vladimir, Nikola; Choi, Tae MuK

    2013-09-01

    Natural vibration analysis of plates with openings of different shape represents an important issue in naval architecture and ocean engineering applications. In this paper, a procedure for vibration analysis of plates with openings and arbitrary edge constraints is presented. It is based on the assumed mode method, where natural frequencies and modes are determined by solving an eigenvalue problem of a multi-degree-of-freedom system matrix equation derived by using Lagrange's equations of motion. The presented solution represents an extension of a procedure for natural vibration analysis of rectangular plates without openings, which has been recently presented in the literature. The effect of an opening is taken into account in an intuitive way, i.e. by subtracting its energy from the total plate energy without opening. Illustrative numerical examples include dynamic analysis of rectangular plates with rectangular, elliptic, circular as well as oval openings with various plate thicknesses and different combinations of boundary conditions. The results are compared with those obtained by the finite element method (FEM) as well as those available in the relevant literature, and very good agreement is achieved.

  12. Study of convergence rate and efficiency of two-phase methods for approximating the Edgeworth-Pareto hull

    NASA Astrophysics Data System (ADS)

    Kamenev, G. K.

    2013-04-01

    The convergence rate and efficiency of two-phase methods for approximating the Edgeworth-Pareto hull in nonlinear multicriteria optimization problems is studied. A feature of two-phase methods is that the criteria images of randomly generated points of the decision space approach the Pareto frontier via local optimization of adaptively chosen convolutions of criteria. It is shown that the convergence rate of two-phase methods is determined by the metric properties of the set of local extrema of criteria convolutions, specifically, by its upper metric dimension. The efficiency of two-phase methods is examined; i.e., they are compared with hypothetical optimal methods of the same class. It is shown that the efficiency of two-phase methods is determined by the ratio of the ɛ-entropy and ɛ-capacity for the set of local extrema of criteria convolutions.

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

    SciTech Connect

    Nakano, Masayoshi Minami, Takuya Fukui, Hitoshi Yoneda, Kyohei Shigeta, Yasuteru Kishi, Ryohei; Champagne, Benoît; Botek, Edith

    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.

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

    NASA Astrophysics Data System (ADS)

    Nakano, Masayoshi; Minami, Takuya; Fukui, Hitoshi; Yoneda, Kyohei; Shigeta, Yasuteru; Kishi, Ryohei; Champagne, Benoıît; Botek, Edith

    2015-01-01

    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.

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

    SciTech Connect

    Maliassov, S.Y.

    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.

  16. Accurate finite difference methods for time-harmonic wave propagation

    NASA Technical Reports Server (NTRS)

    Harari, Isaac; Turkel, Eli

    1994-01-01

    Finite difference methods for solving problems of time-harmonic acoustics are developed and analyzed. Multidimensional inhomogeneous problems with variable, possibly discontinuous, coefficients are considered, accounting for the effects of employing nonuniform grids. A weighted-average representation is less sensitive to transition in wave resolution (due to variable wave numbers or nonuniform grids) than the standard pointwise representation. Further enhancement in method performance is obtained by basing the stencils on generalizations of Pade approximation, or generalized definitions of the derivative, reducing spurious dispersion, anisotropy and reflection, and by improving the representation of source terms. The resulting schemes have fourth-order accurate local truncation error on uniform grids and third order in the nonuniform case. Guidelines for discretization pertaining to grid orientation and resolution are presented.

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Improved approximate methods for calculating frequency response function matrix and response of MDOF systems with viscoelastic hereditary terms

    NASA Astrophysics Data System (ADS)

    Li, Li; Hu, Yujin; Wang, Xuelin

    2013-07-01

    As we know, it is difficult and unnecessary to obtain all the eigenpairs of a large-scaled viscoelastic (nonviscous or hysteretic) damping systems, which means that the mode truncation scheme is generally used and the mode-truncated error is therefore introduced. This study is aimed at eliminating the influence of the unavailable modes on the dynamic response of MDOF systems with viscoelastic hereditary terms. The energy dissipation terms of the system depend on the past history of motion via convolution integrals over some kernel functions. Therefore, the system is a nonviscously damped system, which has been considered as the most generalized damping model within the scope of a linear mechanical analysis. To approximate frequency response function (FRF) matrix and response without using the unavailable modes, we suggest two methods, which attempt to approximate the influence of the unavailable modes in terms of the lower modes and system matrices by using the first one or two terms of Neumann expansion of the contribution of the unavailable modes. In contrast with the FRF matrix approximated in terms of the first two terms of Neumann expansion, these procedures cannot be extended to further high order terms since all of them will be affected by the frequency-dependent variation of damping matrix from previous terms. Finally, an example is shown that the two presented methods can make the mode-truncated error reduce and may be used to approximate the influence of nonviscous modes contributed to FRF matrix due to the fact that the nonviscous modes are difficult to be obtained accurately even if a small scaled model is used for some eigensolution methods.

  19. Pair approximation for polarization interaction and adiabatic nuclear and electronic sampling method for fluids with dipole polarizability

    NASA Astrophysics Data System (ADS)

    Predota, Milan; Cummings, Peter T.; Chialvo, Ariel A.

    The adiabatic nuclear and electronic sampling method (ANES), originally formulated as an efficient Monte Carlo algorithm for systems with fluctuating charges, is applied to the simulation of a polarizable water model with induced dipole moments. Structural, thermodynamic and dipolar properties obtained by ANES and a newer algorithm, the pair approximation for polarization interaction (PAPI), are compared with full iteration. With the best parameters, the inaccuracy of both approximate methods was found to be comparable with the uncertainty of the full iteration. The PAPI method with iteration radius equal to the second minimum of the oxygen-oxygen correlation function is, depending on the convergence tolerance, 10-15 times faster than the full iteration for 256 molecules, and yields very accurate structure and thermodynamics with deviation about 0.3%. When the iteration radius is increased to the cutoff distance, exact results are recovered at the cost of decreased efficiency. The ANES method with small nuclear displacements proved to inefficiently sample the configurational space. Simulations at low electronic temperatures with large nuclear displacements are inaccurate for up to 100 electronic moves, and increasing this number would make the simulations as slow as the full iteration. The most accurate and efficient adiabatic ANES simulations are those with infinite electronic temperature, large nuclear displacements and 1-10 electronic moves. The extra freedom of induced dipoles in the ANES method at high electronic temperatures modifies the observed dipolar properties; however, the question of whether the dielectric constant is also modified needs further consideration.

  20. An IPOT meshless method using DC PSE approximation for fluid flow equations in 2D and 3D geometries

    NASA Astrophysics Data System (ADS)

    Bourantas, G. C.; Loukopoulos, V. C.; Skouras, E. D.; Burganos, V. N.; Nikiforidis, G. C.

    2016-06-01

    Navier-Stokes (N-S) equations, in their primitive variable (u-v-p) formulation, are numerically solved using the Implicit Potential (IPOT) numerical scheme in the context of strong form Meshless Point Collocation (MPC) method. The unknown field functions are computed using the Discretization Correction Particle Strength Exchange (DC PSE) approximation method. The latter makes use of discrete moment conditions to derive the operator kernels, which leads to low condition number for the moment matrix compared to other meshless interpolation methods and increased stability for the numerical solution. The proposed meshless scheme is applied on 2D and 3D spatial domains, using uniform or irregular set of nodes to represent the domain. The numerical results obtained are compared against those obtained using well-established methods.

  1. Inversion of synthetic and experimental acoustical scattering data for the comparison of two reconstruction methods employing the Born approximation.

    PubMed

    Guillermin, R; Lasaygues, P; Sessarego, J P; Wirgin, A

    2001-03-01

    This work is concerned with the reconstruction, from measured (synthetic or real) data, of a 2D penetrable fluid-like object of arbitrary cross-section embedded in a fluid of infinite extent and insonified by a plane acoustic wave. Green's theorem is used to provide a domain integral representation of the scattered field. The introduction therein of the Born approximation gives rise to a linearized form of the inverse problem. The actual inversion is carried out by two methods. The first diffraction tomography (DT), exhibits the contrast function very conveniently and explicitly in the form of a wave number/incident angle Fourier transform of the far backscattered field and thus requires measurements of this field for incident waves all around the object and at all frequencies. The second discretized domain integral equation with Born approximation method, is numerically more intensive, but enables a wider choice of configurations and requires less measurements (one or several frequencies, one or several incident waves, choice of measurement points) than the DT method. A comparison of the two methods is carried out by inversion of both simulated and experimental scattered field data. PMID:11270630

  2. Approximate method for predicting the permanent set in a beam in vacuo and in water subject to a shock wave

    NASA Technical Reports Server (NTRS)

    Stiehl, A. L.; Haberman, R. C.; Cowles, J. H.

    1988-01-01

    An approximate method to compute the maximum deformation and permanent set of a beam subjected to shock wave laoding in vacuo and in water was investigated. The method equates the maximum kinetic energy of the beam (and water) to the elastic plastic work done by a static uniform load applied to a beam. Results for the water case indicate that the plastic deformation is controlled by the kinetic energy of the water. The simplified approach can result in significant savings in computer time or it can expediently be used as a check of results from a more rigorous approach. The accuracy of the method is demonstrated by various examples of beams with simple support and clamped support boundary conditions.

  3. Error estimate evaluation in numerical approximations of partial differential equations: A pilot study using data mining methods

    NASA Astrophysics Data System (ADS)

    Assous, Franck; Chaskalovic, Joël

    2013-03-01

    In this Note, we propose a new methodology based on exploratory data mining techniques to evaluate the errors due to the description of a given real system. First, we decompose this description error into four types of sources. Then, we construct databases of the entire information produced by different numerical approximation methods, to assess and compare the significant differences between these methods, using techniques like decision trees, Kohonen's cards, or neural networks. As an example, we characterize specific states of the real system for which we can locally appreciate the accuracy between two kinds of finite elements methods. In this case, this allowed us to precise the classical Bramble-Hilbert theorem that gives a global error estimate, whereas our approach gives a local error estimate.

  4. Constructing mathematical models for simulating the technological processes in thermal power equipment on the basis of statistical approximation methods

    NASA Astrophysics Data System (ADS)

    Kolchev, K. K.; Mezin, S. V.

    2015-07-01

    A technique for constructing mathematical models simulating the technological processes in thermal power equipment developed on the basis of the statistical approximation method is described. The considered method was used in the developed software module (plug-in) intended for calculating nonlinear mathematical models of gas turbine units and for diagnosing them. The mathematical models constructed using this module are used for describing the current state of a system. Deviations of the system's actual state from the estimate obtained using the mathematical model point to malfunctions in operation of this system. The multidimensional interpolation and approximation method and the theory of random functions serve as a theoretical basis of the developed technique. By using the developed technique it is possible to construct complex static models of plants that are subject to control and diagnostics. The module developed using the proposed technique makes it possible to carry out periodic diagnostics of the operating equipment for revealing deviations from the normal mode of its operation. The specific features relating to construction of mathematical models are considered, and examples of applying them with the use of observations obtained on the equipment of gas turbine units are given.

  5. A Neurodynamic Optimization Method for Recovery of Compressive Sensed Signals With Globally Converged Solution Approximating to l0 Minimization.

    PubMed

    Guo, Chengan; Yang, Qingshan

    2015-07-01

    Finding the optimal solution to the constrained l0 -norm minimization problems in the recovery of compressive sensed signals is an NP-hard problem and it usually requires intractable combinatorial searching operations for getting the global optimal solution, unless using other objective functions (e.g., the l1 norm or lp norm) for approximate solutions or using greedy search methods for locally optimal solutions (e.g., the orthogonal matching pursuit type algorithms). In this paper, a neurodynamic optimization method is proposed to solve the l0 -norm minimization problems for obtaining the global optimum using a recurrent neural network (RNN) model. For the RNN model, a group of modified Gaussian functions are constructed and their sum is taken as the objective function for approximating the l0 norm and for optimization. The constructed objective function sets up a convexity condition under which the neurodynamic system is guaranteed to obtain the globally convergent optimal solution. An adaptive adjustment scheme is developed for improving the performance of the optimization algorithm further. Extensive experiments are conducted to test the proposed approach in this paper and the output results validate the effectiveness of the new method. PMID:25122603

  6. FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    We describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in N-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank-Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

  7. FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    SciTech Connect

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

    2015-11-30

    In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

  8. ALGORITHM TO REDUCE APPROXIMATION ERROR FROM THE COMPLEX-VARIABLE BOUNDARY-ELEMENT METHOD APPLIED TO SOIL FREEZING.

    USGS Publications Warehouse

    Hromadka, T.V., II; Guymon, G.L.

    1985-01-01

    An algorithm is presented for the numerical solution of the Laplace equation boundary-value problem, which is assumed to apply to soil freezing or thawing. The Laplace equation is numerically approximated by the complex-variable boundary-element method. The algorithm aids in reducing integrated relative error by providing a true measure of modeling error along the solution domain boundary. This measure of error can be used to select locations for adding, removing, or relocating nodal points on the boundary or to provide bounds for the integrated relative error of unknown nodal variable values along the boundary.

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

    SciTech Connect

    Rossi, Mariana; Liu, Hanchao; Bowman, Joel; Paesani, Francesco; 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 D{sub 2}O doped with HOD and pure H{sub 2}O 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{sup −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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-11-01

    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.

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

    PubMed

    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. PMID:25399122

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

    NASA Astrophysics Data System (ADS)

    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.

  13. Application of vector-valued rational approximations to the matrix eigenvalue problem and connections with Krylov subspace methods

    NASA Technical Reports Server (NTRS)

    Sidi, Avram

    1992-01-01

    Let F(z) be a vectored-valued function F: C approaches C sup N, which is analytic at z=0 and meromorphic in a neighborhood of z=0, and let its Maclaurin series be given. We use vector-valued rational approximation procedures for F(z) that are based on its Maclaurin series in conjunction with power iterations to develop bona fide generalizations of the power method for an arbitrary N X N matrix that may be diagonalizable or not. These generalizations can be used to obtain simultaneously several of the largest distinct eigenvalues and the corresponding invariant subspaces, and present a detailed convergence theory for them. In addition, it is shown that the generalized power methods of this work are equivalent to some Krylov subspace methods, among them the methods of Arnoldi and Lanczos. Thus, the theory provides a set of completely new results and constructions for these Krylov subspace methods. This theory suggests at the same time a new mode of usage for these Krylov subspace methods that were observed to possess computational advantages over their common mode of usage.

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

    NASA Astrophysics Data System (ADS)

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

    2013-08-01

    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.

  15. An Itô-based general approximation method for random vibration of hysteretic systems, part I: Gaussian analysis

    NASA Astrophysics Data System (ADS)

    Noori, M.; Davoodi, H.; Saffar, A.

    1988-12-01

    The cumulant-neglect closure scheme independently developed by Ibrahim and Lin is extended for determining the stationary and non-stationary response of non-linear systems with hysteric restoring force characteristics. The method is applied to the analysis of a hysteresis and model with strength and/or stiffness degradation capabilities. This model has been studied in the past by Baber and Wen for the analysis of hysterically degrading systems using equivalent linearization. The same model has also been used for stochastic seismic performance evaluation of reinforced concrete buildings. Response statistics obtained for the model by using this closure scheme are compared with results of equivalent linearization via Monte Carlo simulation. The study performed, for a wide range of degradation parameters and input power spectral density levels, shows that the Gaussian responses obtained by this approach are identical with the linearized results. This general approximation technique, however, can provide information on higher order statistics for hysteretic systems. These non-Gaussian statistics have not been made available so far by the existing approximation techniques. In this paper the Gaussian statistics are presented.

  16. An approximate semi-analytical method for prediction of interlaminar shear stresses in an arbitrarily laminated thick plate

    NASA Technical Reports Server (NTRS)

    Chaudhuri, Reaz A.; Seide, Paul

    1987-01-01

    An approximate semianalytical method for determination of interlaminar shear stress distribution through the thickness of an arbitrarily laminated thick plate has been presented. The method is based on the assumptions of transverse inextensibility and layerwise constant shear angle theory (LCST) and utilizes an assumed quadratic displacement potential energy based finite element method (FEM). Centroid of the triangular surface has been proved from a rigorous mathematical point of view (Aubin-Nitsche theory), to be the point of exceptional accuracy for the interlaminar shear stresses. Numerical results indicate close agreement with the available three-dimensional elasticity theory solutions. A comparison between the present theory and that due to an assumed stress hybrid FEM suggest that the (normal) traction-free-edge condition is not satisfied in the latter approach. Furthermore, the present paper is the first to present the results for interlaminar shear stresses in a two-layer thick square plate of balanced unsymmetric angle-ply construction. A comparison with the recently proposed Equilibrium Method (EM) indicates the superiority of the present method, because the latter assures faster convergence as well as simultaneous vanishing of the transverse shear stresses on both of the exposed surfaces of the laminate. Superiority of the present method over the EM, in the case of a symmetric laminate, is limited to faster convergence alone. It has also been demonstrated that the combination of the present method and the reduced (quadratic order) numerical integration scheme yields convergence of the interlaminar shear stresses almost as rapidly as that of the nodal displacements, in the case of a thin plate.

  17. FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

    DOE PAGESBeta

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

    2015-11-30

    In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle amore » realistic calculation of fission dynamics.« less

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

    PubMed

    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. PMID:24891748

  19. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    NASA Astrophysics Data System (ADS)

    Senjean, Bruno; Knecht, Stefan; Jensen, Hans Jørgen Aa.; Fromager, Emmanuel

    2015-07-01

    Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is, in principle, very attractive but has been hard to use in practice. A practical model based on GOK-DFT for the calculation of electronic excitation energies is discussed. The model relies on two modifications of GOK-DFT: use of range separation and use of the slope of the linearly interpolated ensemble energy, rather than orbital energies. The range-separated approach is appealing, as it enables the rigorous formulation of a multideterminant state-averaged DFT method. In the exact theory, the short-range density functional, which complements the long-range wave-function-based ensemble energy contribution, should vary with the ensemble weights even when the density is held fixed. This weight dependence ensures that the range-separated ensemble energy varies linearly with the ensemble weights. When the (weight-independent) ground-state short-range exchange-correlation functional is used in this context, curvature appears, thus leading to an approximate weight-dependent excitation energy. In order to obtain unambiguous approximate excitation energies, we propose to interpolate linearly the ensemble energy between equiensembles. It is shown that such a linear interpolation method (LIM) can be rationalized and that it effectively introduces weight dependence effects. As proof of principle, the LIM has been applied to He, Be, and H2 in both equilibrium and stretched geometries as well as the stretched HeH+ molecule. Very promising results have been obtained for both single (including charge transfer) and double excitations with spin-independent short-range local and semilocal functionals. Even at the Kohn-Sham ensemble DFT level, which is recovered when the range-separation parameter is set to 0, LIM performs better than standard time-dependent DFT.

  20. The surface morphology analysis based on progressive approximation method using confocal three-dimensional micro X-ray fluorescence

    NASA Astrophysics Data System (ADS)

    Yi, Longtao; Sun, Tianxi; Wang, Kai; Qin, Min; Yang, Kui; Wang, Jinbang; Liu, Zhiguo

    2016-08-01

    Confocal three-dimensional micro X-ray fluorescence (3D MXRF) is an excellent surface analysis technology. For a confocal structure, only the X-rays from the confocal volume can be detected. Confocal 3D MXRF has been widely used for analysing elements, the distribution of elements and 3D image of some special samples. However, it has rarely been applied to analysing surface topography by surface scanning. In this paper, a confocal 3D MXRF technology based on polycapillary X-ray optics was proposed for determining surface topography. A corresponding surface adaptive algorithm based on a progressive approximation method was designed to obtain surface topography. The surface topography of the letter "R" on a coin of the People's Republic of China and a small pit on painted pottery were obtained. The surface topography of the "R" and the pit are clearly shown in the two figures. Compared with the method in our previous study, it exhibits a higher scanning efficiency. This approach could be used for two-dimensional (2D) elemental mapping or 3D elemental voxel mapping measurements as an auxiliary method. It also could be used for analysing elemental mapping while obtaining the surface topography of a sample in 2D elemental mapping measurement.

  1. Comparison of iterative methods and preconditioners for two-phase flow in porous media using exact and approximate Jacobians

    NASA Astrophysics Data System (ADS)

    Büsing, Henrik

    2013-04-01

    Two-phase flow in porous media occurs in various settings, such as the sequestration of CO2 in the subsurface, radioactive waste management, the flow of oil or gas in hydrocarbon reservoirs, or groundwater remediation. To model the sequestration of CO2, we consider a fully coupled formulation of the system of nonlinear, partial differential equations. For the solution of this system, we employ the Box method after Huber & Helmig (2000) for the space discretization and the fully implicit Euler method for the time discretization. After linearization with Newton's method, it remains to solve a linear system in every Newton step. We compare different iterative methods (BiCGStab, GMRES, AGMG, c.f., [Notay (2012)]) combined with different preconditioners (ILU0, ASM, Jacobi, and AMG as preconditioner) for the solution of these systems. The required Jacobians can be obtained elegantly with automatic differentiation (AD) [Griewank & Walther (2008)], a source code transformation providing exact derivatives. We compare the performance of the different iterative methods with their respective preconditioners for these linear systems. Furthermore, we analyze linear systems obtained by approximating the Jacobian with finite differences in terms of Newton steps per time step, steps of the iterative solvers and the overall solution time. Finally, we study the influence of heterogeneities in permeability and porosity on the performance of the iterative solvers and their robustness in this respect. References [Griewank & Walther(2008)] Griewank, A. & Walther, A., 2008. Evaluating Derivatives: Principles and Techniques of Algorithmic Differentiation, SIAM, Philadelphia, PA, 2nd edn. [Huber & Helmig(2000)] Huber, R. & Helmig, R., 2000. Node-centered finite volume discretizations for the numerical simulation of multiphase flow in heterogeneous porous media, Computational Geosciences, 4, 141-164. [Notay(2012)] Notay, Y., 2012. Aggregation-based algebraic multigrid for convection

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

    NASA Astrophysics Data System (ADS)

    Neese, Frank; Wennmohs, Frank; Hansen, Andreas

    2009-03-01

    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 Møller-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

  3. On the convergence of local approximations to pseudodifferential operators with applications

    NASA Technical Reports Server (NTRS)

    Hagstrom, Thomas

    1994-01-01

    We consider the approximation of a class pseudodifferential operators by sequences of operators which can be expressed as compositions of differential operators and their inverses. We show that the error in such approximations can be bounded in terms of L(1) error in approximating a convolution kernel, and use this fact to develop convergence results. Our main result is a finite time convergence analysis of the Engquist-Majda Pade approximants to the square root of the d'Alembertian. We also show that no spatially local approximation to this operator can be convergent uniformly in time. We propose some temporally local but spatially nonlocal operators with better long time behavior. These are based on Laguerre and exponential series.

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

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

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

  5. Higher-order numerical methods derived from three-point polynomial interpolation

    NASA Technical Reports Server (NTRS)

    Rubin, S. G.; Khosla, P. K.

    1976-01-01

    Higher-order collocation procedures resulting in tridiagonal matrix systems are derived from polynomial spline interpolation and Hermitian finite-difference discretization. The equations generally apply for both uniform and variable meshes. Hybrid schemes resulting from different polynomial approximations for first and second derivatives lead to the nonuniform mesh extension of the so-called compact or Pade difference techniques. A variety of fourth-order methods are described and this concept is extended to sixth-order. Solutions with these procedures are presented for the similar and non-similar boundary layer equations with and without mass transfer, the Burgers equation, and the incompressible viscous flow in a driven cavity. Finally, the interpolation procedure is used to derive higher-order temporal integration schemes and results are shown for the diffusion equation.

  6. The narrow pulse approximation and long length scale determination in xenon gas diffusion NMR studies of model porous media

    NASA Technical Reports Server (NTRS)

    Mair, R. W.; Sen, P. N.; Hurlimann, M. D.; Patz, S.; Cory, D. G.; Walsworth, R. L.

    2002-01-01

    We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Pade approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Pade interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Pade length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).

  7. Meromorphic approximants to complex Cauchy transforms with polar singularities

    SciTech Connect

    Baratchart, Laurent; Yattselev, Maxim L

    2009-10-31

    We study AAK-type meromorphic approximants to functions of the form F(z)={integral}(d{lambda}(t))/(z-t)+R(z), where R is a rational function and {lambda} is a complex measure with compact regular support included in (-1,1), whose argument has bounded variation on the support. The approximation is understood in the L{sup p}-norm of the unit circle, p{>=}2. We dwell on the fact that the denominators of such approximants satisfy certain non-Hermitian orthogonal relations with varying weights. They resemble the orthogonality relations that arise in the study of multipoint Pade approximants. However, the varying part of the weight implicitly depends on the orthogonal polynomials themselves, which constitutes the main novelty and the main difficulty of the undertaken analysis. We obtain that the counting measures of poles of the approximants converge to the Green equilibrium distribution on the support of {lambda} relative to the unit disc, that the approximants themselves converge in capacity to F, and that the poles of R attract at least as many poles of the approximants as their multiplicity and not much more. Bibliography: 35 titles.

  8. Technical Note: Adaptation of an Animal-Model Method for Approximation of Reliabilities to a Sire-Maternal Grandsire Model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The ACCF90 computer program, which approximates reliability for animal models, was modified to estimate reliabilities for sire-maternal grandsire (MGS) models. Accuracy of the approximation was tested on a calving-ease data set for 2,968 bulls for which the inverse of the coefficient matrix could be...

  9. QSAR studies on chalcones and flavonoids as anti-tuberculosis agents using genetic function approximation (GFA) method.

    PubMed

    Sivakumar, Ponnurengam Malliappan; Geetha Babu, Sethu Kailasam; Mukesh, Doble

    2007-01-01

    Design of compounds having good anti-tubercular activity is gaining much importance in the field of tuberculosis research due to reemergence of antibiotic resistance strains. In this paper quantitative structure activity relationships (QSAR) were developed on chalcones, chalcone-like compounds, flavones and flavanones to understand the relationship between biological activity and structural features. Genetic function approximation (GFA) method was used to identify the descriptors that would lead to good regression equations. The best molecular descriptors identified were Jurs descriptors (Jurs charged partial surface area), hydrogen bond donor, principal moment of inertia, molecular energy, dipole magnetic, molecular area, absorption, distribution, metabolism and excretion (ADME) properties and Chi indices (Kier & Hall chi connectivity indices). Excellent statistically significant models were developed by this approach (r(2)=0.8-0.97) for the four groups of compounds. The cross validated r(2) (XV r(2)) which is an indication of the predictive capability of the model for all the cases was also very good (=0.79-0.94). PMID:17202700

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

    PubMed

    Bozkaya, Uğur; Sherrill, C David

    2016-05-01

    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 (C10H22), 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. PMID:27155621

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

    NASA Astrophysics Data System (ADS)

    Bozkaya, Uǧur; Sherrill, C. David

    2016-05-01

    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 (C10H22), 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.

  12. A new method to validate the usage of Fresnel approximation instead of Kirchhoff diffraction formula for calculations concerning camera systems

    NASA Astrophysics Data System (ADS)

    Talbiersky, Ulrike

    2010-05-01

    The usage of Fresnel diffraction as an approximation of the Kirchhoff formula offers a large variety of advantages concerning diverse calculations for camera systems. However, Fresnel approximations cannot be applied to arbitrary camera systems. For configurations with wide aperture, e.g., the usage of Fresnel approximation is not possible without accepting an unagreeable deviation. It is important to check in advance if a camera system allows such an approximation for the needed calculations. Assuming that focal length f and ground distance g are given quantities, investigations of the real and complex integrands lead to a formula from which the minimal F-number f# (respectively the maximum aperture radius r) is derived, so that Fresnel approximations can still be applied to a system. The analytical results are supported by numerical calculations and audited for three camera configurations outlined for remote sensing.

  13. Model of electron tunneling coupled to torsional vibrations: Exact solution and study of performance of approximation methods

    NASA Astrophysics Data System (ADS)

    Gráf, Lukáš; Čížek, Martin

    2014-09-01

    A two dimensional model for the electron interaction with molecular vibrations in molecular junctions is proposed. Alternatively the model can be applied to tunneling through a cylindrical nano-structure. The transmission function is calculated accurately numerically. The exact results are then compared with various approximations: (1) completely frozen vibrations for very light molecule, (2) Chase approximation for very heavy molecule, and (3) discrete-state-in-continuum model in resonant regime. The validity of these approximations is discussed in terms of the characteristic time-scales and coupling strengths. The excitation of the vibrational degree of freedom and the emergence of prominent threshold structures in the strong coupling regime are discussed in more details.

  14. A new method to construct integrable approximations to nearly integrable systems in Celestial Mechanics: application to the Sitnikov problem

    NASA Astrophysics Data System (ADS)

    Hagel, Johannes

    2015-06-01

    The Sitnikov problem for nonzero primaries eccentricities is a non-integrable dynamical system. In this contribution, a second dynamical system close to the original one but being fully integrable is constructed. We denote this system by "approximating integrable system", and we will give a rigorous definition for it as well as for the "distance" between the integrable and the non-integrable system. The first integral of the approximating system is derived in closed form, and from this result, the most important system properties are found algebraically and compared to the ones of the Sitnikov problem obtained by numerical integration. It turns out that for the given range of the eccentricity and initial amplitude, the approximating system describes accurately the most important properties of the Sitnikov problem.

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

    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.

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

    SciTech Connect

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

    2014-12-10

    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.

  17. Approximate solution of two-term fractional-order diffusion, wave-diffusion, and telegraph models arising in mathematical physics using optimal homotopy asymptotic method

    NASA Astrophysics Data System (ADS)

    Sarwar, S.; Rashidi, M. M.

    2016-07-01

    This paper deals with the investigation of the analytical approximate solutions for two-term fractional-order diffusion, wave-diffusion, and telegraph equations. The fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], (1,2), and [1,2], respectively. In this paper, we extended optimal homotopy asymptotic method (OHAM) for two-term fractional-order wave-diffusion equations. Highly approximate solution is obtained in series form using this extended method. Approximate solution obtained by OHAM is compared with the exact solution. It is observed that OHAM is a prevailing and convergent method for the solutions of nonlinear-fractional-order time-dependent partial differential problems. The numerical results rendering that the applied method is explicit, effective, and easy to use, for handling more general fractional-order wave diffusion, diffusion, and telegraph problems.

  18. 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

    SciTech Connect

    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.

  19. Two coupled particle-finite volume methods using Delaunay-Voronoie meshes for the approximation of Vlasov-Poisson and Vlasov-Maxwell equations

    SciTech Connect

    Hermeline, F. )

    1993-05-01

    This paper deals with the approximation of Vlasov-Poisson and Vlasov-Maxwell equations. We present two coupled particle-finite volume methods which use the properties of Delaunay-Voronoi meshes. These methods are applied to benchmark calculations and engineering problems such as simulation of electron injector devices. 42 refs., 13 figs.

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

    NASA Astrophysics Data System (ADS)

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

    2011-06-01

    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.

  1. Approximate method for calculating transonic flow about lifting wing-body configurations: Computer program and user's manual

    NASA Technical Reports Server (NTRS)

    Barnwell, R. W.; Davis, R. M.

    1975-01-01

    A user's manual is presented for a computer program which calculates inviscid flow about lifting configurations in the free-stream Mach-number range from zero to low supersonic. Angles of attack of the order of the configuration thickness-length ratio and less can be calculated. An approximate formulation was used which accounts for shock waves, leading-edge separation and wind-tunnel wall effects.

  2. Spline-based Rayleigh-Ritz methods for the approximation of the natural modes of vibration for flexible beams with tip bodies

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1986-01-01

    Rayleigh-Ritz methods for the approximation of the natural modes for a class of vibration problems involving flexible beams with tip bodies using subspaces of piecewise polynomial spline functions are developed. An abstract operator-theoretic formulation of the eigenvalue problem is derived and spectral properties investigated. The existing theory for spline-based Rayleigh-Ritz methods applied to elliptic differential operators and the approximation properties of interpolatory splines are used to argue convergence and establish rates of convergence. An example and numerical results are discussed.

  3. Spline-based Rayleigh-Ritz methods for the approximation of the natural modes of vibration for flexible beams with tip bodies

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1985-01-01

    Rayleigh-Ritz methods for the approximation of the natural modes for a class of vibration problems involving flexible beams with tip bodies using subspaces of piecewise polynomial spline functions are developed. An abstract operator theoretic formulation of the eigenvalue problem is derived and spectral properties investigated. The existing theory for spline-based Rayleigh-Ritz methods applied to elliptic differential operators and the approximation properties of interpolatory splines are useed to argue convergence and establish rates of convergence. An example and numerical results are discussed.

  4. Fourth Order Exponential Time Differencing Method with Local Discontinuous Galerkin Approximation for Coupled Nonlinear Schrödinger Equations

    DOE PAGESBeta

    Liang, Xiao; Khaliq, Abdul Q.M.; Xing, Yulong

    2015-01-23

    In this paper, we study a local discontinuous Galerkin method combined with fourth order exponential time differencing Runge-Kutta time discretization and a fourth order conservative method for solving the nonlinear Schrödinger equations. Based on different choices of numerical fluxes, we propose both energy-conserving and energy-dissipative local discontinuous Galerkin methods, and have proven the error estimates for the semi-discrete methods applied to linear Schrödinger equation. The numerical methods are proven to be highly efficient and stable for long-range soliton computations. Finally, extensive numerical examples are provided to illustrate the accuracy, efficiency and reliability of the proposed methods.

  5. A B-Spline-Based Colocation Method to Approximate the Solutions to the Equations of Fluid Dynamics

    SciTech Connect

    M. D. Landon; R. W. Johnson

    1999-07-01

    The potential of a B-spline collocation method for numerically solving the equations of fluid dynamics is discussed. It is known that B-splines can resolve complex curves with drastically fewer data than can their standard shape function counterparts. This feature promises to allow much faster numerical simulations of fluid flow than standard finite volume/finite element methods without sacrificing accuracy. An example channel flow problem is solved using the method.

  6. A B-Spline-Based Colocation Method to Approximate the Solutions to the Equations of Fluid Dynamics

    SciTech Connect

    Johnson, Richard Wayne; Landon, Mark Dee

    1999-07-01

    The potential of a B-spline collocation method for numerically solving the equations of fluid dynamics is discussed. It is known that B-splines can resolve curves with drastically fewer data than can their standard shape function counterparts. This feature promises to allow much faster numerical simulations of fluid flow than standard finite volume/finite element methods without sacrificing accuracy. An example channel flow problem is solved using the method.

  7. Fast approximate motif statistics.

    PubMed

    Nicodème, P

    2001-01-01

    We present in this article a fast approximate method for computing the statistics of a number of non-self-overlapping matches of motifs in a random text in the nonuniform Bernoulli model. This method is well suited for protein motifs where the probability of self-overlap of motifs is small. For 96% of the PROSITE motifs, the expectations of occurrences of the motifs in a 7-million-amino-acids random database are computed by the approximate method with less than 1% error when compared with the exact method. Processing of the whole PROSITE takes about 30 seconds with the approximate method. We apply this new method to a comparison of the C. elegans and S. cerevisiae proteomes. PMID:11535175

  8. An Approximate Method of Calculation of Relative Humidity Required to Prevent Frosting on Inside of Aircraft Pressure Cabin Windows, Special Report

    NASA Technical Reports Server (NTRS)

    Jones, Alun R.

    1940-01-01

    This report has been prepare in response to a request for information from an aircraft company. A typical example was selected for the presentation of an approximate method of calculation of the relative humidity required to prevent frosting on the inside of a plastic window in a pressure type cabin on a high speed airplane. The results of the study are reviewed.

  9. Technical Note: Weight approximation of coccoliths using a circular polarizer and interference colour derived retardation estimates - (The CPR Method)

    NASA Astrophysics Data System (ADS)

    Bollmann, J.

    2014-04-01

    A circular polarizer is used for the first time to image coccoliths without the extinction pattern of crossed polarized light at maximum interference colour. The combination of a circular polarizer with retardation measurements based on grey values derived from theoretical calculations allows for the first time accurate calculations of the weight of single coccoliths thinner than 1.37 μm. The weight estimates of 364 Holocene coccoliths using this new method are in good agreement with published volumetric estimates. A robust calibration method based on the measurement of a calibration target of known retardation enables the comparison of data between different imaging systems. Therefore, the new method overcomes the shortcomings of the error prone empirical calibration procedure of a previously reported method based on birefringence of calcite. Furthermore, it greatly simplifies the identification of coccolithophore species on the light microscope as well as the calculation of the area and thus weight of a coccolith.

  10. A Finite-Difference Numerical Method for Onsager's Pancake Approximation for Fluid Flow in a Gas Centrifuge

    SciTech Connect

    de Stadler, M; Chand, K

    2007-11-12

    Gas centrifuges exhibit very complex flows. Within the centrifuge there is a rarefied region, a transition region, and a region with an extreme density gradient. The flow moves at hypersonic speeds and shock waves are present. However, the flow is subsonic in the axisymmetric plane. The analysis may be simplified by treating the flow as a perturbation of wheel flow. Wheel flow implies that the fluid is moving as a solid body. With the very large pressure gradient, the majority of the fluid is located very close to the rotor wall and moves at an azimuthal velocity proportional to its distance from the rotor wall; there is no slipping in the azimuthal plane. The fluid can be modeled as incompressible and subsonic in the axisymmetric plane. By treating the centrifuge as long, end effects can be appropriately modeled without performing a detailed boundary layer analysis. Onsager's pancake approximation is used to construct a simulation to model fluid flow in a gas centrifuge. The governing 6th order partial differential equation is broken down into an equivalent coupled system of three equations and then solved numerically. In addition to a discussion on the baseline solution, known problems and future work possibilities are presented.

  11. Hodgkin–Huxley revisited: reparametrization and identifiability analysis of the classic action potential model with approximate Bayesian methods

    PubMed Central

    Daly, Aidan C.; Holmes, Chris

    2015-01-01

    As cardiac cell models become increasingly complex, a correspondingly complex ‘genealogy’ of inherited parameter values has also emerged. The result has been the loss of a direct link between model parameters and experimental data, limiting both reproducibility and the ability to re-fit to new data. We examine the ability of approximate Bayesian computation (ABC) to infer parameter distributions in the seminal action potential model of Hodgkin and Huxley, for which an immediate and documented connection to experimental results exists. The ability of ABC to produce tight posteriors around the reported values for the gating rates of sodium and potassium ion channels validates the precision of this early work, while the highly variable posteriors around certain voltage dependency parameters suggests that voltage clamp experiments alone are insufficient to constrain the full model. Despite this, Hodgkin and Huxley's estimates are shown to be competitive with those produced by ABC, and the variable behaviour of posterior parametrized models under complex voltage protocols suggests that with additional data the model could be fully constrained. This work will provide the starting point for a full identifiability analysis of commonly used cardiac models, as well as a template for informative, data-driven parametrization of newly proposed models. PMID:27019736

  12. Hodgkin-Huxley revisited: reparametrization and identifiability analysis of the classic action potential model with approximate Bayesian methods.

    PubMed

    Daly, Aidan C; Gavaghan, David J; Holmes, Chris; Cooper, Jonathan

    2015-12-01

    As cardiac cell models become increasingly complex, a correspondingly complex 'genealogy' of inherited parameter values has also emerged. The result has been the loss of a direct link between model parameters and experimental data, limiting both reproducibility and the ability to re-fit to new data. We examine the ability of approximate Bayesian computation (ABC) to infer parameter distributions in the seminal action potential model of Hodgkin and Huxley, for which an immediate and documented connection to experimental results exists. The ability of ABC to produce tight posteriors around the reported values for the gating rates of sodium and potassium ion channels validates the precision of this early work, while the highly variable posteriors around certain voltage dependency parameters suggests that voltage clamp experiments alone are insufficient to constrain the full model. Despite this, Hodgkin and Huxley's estimates are shown to be competitive with those produced by ABC, and the variable behaviour of posterior parametrized models under complex voltage protocols suggests that with additional data the model could be fully constrained. This work will provide the starting point for a full identifiability analysis of commonly used cardiac models, as well as a template for informative, data-driven parametrization of newly proposed models. PMID:27019736

  13. A semi-alternating direction method for a 2-D fractional FitzHugh-Nagumo monodomain model on an approximate irregular domain

    NASA Astrophysics Data System (ADS)

    Liu, F.; Zhuang, P.; Turner, I.; Anh, V.; Burrage, K.

    2015-07-01

    A FitzHugh-Nagumo monodomain model has been used to describe the propagation of the electrical potential in heterogeneous cardiac tissue. In this paper, we consider a two-dimensional fractional FitzHugh-Nagumo monodomain model on an irregular domain. The model consists of a coupled Riesz space fractional nonlinear reaction-diffusion model and an ordinary differential equation, describing the ionic fluxes as a function of the membrane potential. Second, we use a decoupling technique and focus on solving the Riesz space fractional nonlinear reaction-diffusion model. A novel spatially second-order accurate semi-implicit alternating direction method (SIADM) for this model on an approximate irregular domain is proposed. Third, stability and convergence of the SIADM are proved. Finally, some numerical examples are given to support our theoretical analysis and these numerical techniques are employed to simulate a two-dimensional fractional FitzHugh-Nagumo model on both an approximate circular and an approximate irregular domain.

  14. Dynamically coupling the non-linear Stokes equations with the shallow ice approximation in glaciology: Description and first applications of the ISCAL method

    NASA Astrophysics Data System (ADS)

    Ahlkrona, Josefin; Lötstedt, Per; Kirchner, Nina; Zwinger, Thomas

    2016-03-01

    We propose and implement a new method, called the Ice Sheet Coupled Approximation Levels (ISCAL) method, for simulation of ice sheet flow in large domains during long time-intervals. The method couples the full Stokes (FS) equations with the Shallow Ice Approximation (SIA). The part of the domain where SIA is applied is determined automatically and dynamically based on estimates of the modeling error. For a three dimensional model problem, ISCAL computes the solution substantially faster with a low reduction in accuracy compared to a monolithic FS. Furthermore, ISCAL is shown to be able to detect rapid dynamic changes in the flow. Three different error estimations are applied and compared. Finally, ISCAL is applied to the Greenland Ice Sheet on a quasi-uniform grid, proving ISCAL to be a potential valuable tool for the ice sheet modeling community.

  15. Covariant approximation averaging

    NASA Astrophysics Data System (ADS)

    Shintani, Eigo; Arthur, Rudy; Blum, Thomas; Izubuchi, Taku; Jung, Chulwoo; Lehner, Christoph

    2015-06-01

    We present a new class of statistical error reduction techniques for Monte Carlo simulations. Using covariant symmetries, we show that correlation functions can be constructed from inexpensive approximations without introducing any systematic bias in the final result. We introduce a new class of covariant approximation averaging techniques, known as all-mode averaging (AMA), in which the approximation takes account of contributions of all eigenmodes through the inverse of the Dirac operator computed from the conjugate gradient method with a relaxed stopping condition. In this paper we compare the performance and computational cost of our new method with traditional methods using correlation functions and masses of the pion, nucleon, and vector meson in Nf=2 +1 lattice QCD using domain-wall fermions. This comparison indicates that AMA significantly reduces statistical errors in Monte Carlo calculations over conventional methods for the same cost.

  16. Frozen Gaussian approximation based domain decomposition methods for the linear Schrödinger equation beyond the semi-classical regime

    NASA Astrophysics Data System (ADS)

    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.

  17. An experimental and analytical method for approximate determination of the tilt rotor research aircraft rotor/wing download

    NASA Technical Reports Server (NTRS)

    Jordon, D. E.; Patterson, W.; Sandlin, D. R.

    1985-01-01

    The XV-15 Tilt Rotor Research Aircraft download phenomenon was analyzed. This phenomenon is a direct result of the two rotor wakes impinging on the wing upper surface when the aircraft is in the hover configuration. For this study the analysis proceeded along tow lines. First was a method whereby results from actual hover tests of the XV-15 aircraft were combined with drag coefficient results from wind tunnel tests of a wing that was representative of the aircraft wing. Second, an analytical method was used that modeled that airflow caused gy the two rotors. Formulas were developed in such a way that acomputer program could be used to calculate the axial velocities were then used in conjunction with the aforementioned wind tunnel drag coefficinet results to produce download values. An attempt was made to validate the analytical results by modeling a model rotor system for which direct download values were determinrd..

  18. Selection of polynomial chaos bases via Bayesian model uncertainty methods with applications to sparse approximation of PDEs with stochastic inputs

    SciTech Connect

    Karagiannis, Georgios Lin, Guang

    2014-02-15

    Generalized polynomial chaos (gPC) expansions allow us to represent the solution of a stochastic system using a series of polynomial chaos basis functions. The number of gPC terms increases dramatically as the dimension of the random input variables increases. When the number of the gPC terms is larger than that of the available samples, a scenario that often occurs when the corresponding deterministic solver is computationally expensive, evaluation of the gPC expansion can be inaccurate due to over-fitting. We propose a fully Bayesian approach that allows for global recovery of the stochastic solutions, in both spatial and random domains, by coupling Bayesian model uncertainty and regularization regression methods. It allows the evaluation of the PC coefficients on a grid of spatial points, via (1) the Bayesian model average (BMA) or (2) the median probability model, and their construction as spatial functions on the spatial domain via spline interpolation. The former accounts for the model uncertainty and provides Bayes-optimal predictions; while the latter provides a sparse representation of the stochastic solutions by evaluating the expansion on a subset of dominating gPC bases. Moreover, the proposed methods quantify the importance of the gPC bases in the probabilistic sense through inclusion probabilities. We design a Markov chain Monte Carlo (MCMC) sampler that evaluates all the unknown quantities without the need of ad-hoc techniques. The proposed methods are suitable for, but not restricted to, problems whose stochastic solutions are sparse in the stochastic space with respect to the gPC bases while the deterministic solver involved is expensive. We demonstrate the accuracy and performance of the proposed methods and make comparisons with other approaches on solving elliptic SPDEs with 1-, 14- and 40-random dimensions.

  19. Selection of Polynomial Chaos Bases via Bayesian Model Uncertainty Methods with Applications to Sparse Approximation of PDEs with Stochastic Inputs

    SciTech Connect

    Karagiannis, Georgios; Lin, Guang

    2014-02-15

    Generalized polynomial chaos (gPC) expansions allow the representation of the solution of a stochastic system as a series of polynomial terms. The number of gPC terms increases dramatically with the dimension of the random input variables. When the number of the gPC terms is larger than that of the available samples, a scenario that often occurs if the evaluations of the system are expensive, the evaluation of the gPC expansion can be inaccurate due to over-fitting. We propose a fully Bayesian approach that allows for global recovery of the stochastic solution, both in spacial and random domains, by coupling Bayesian model uncertainty and regularization regression methods. It allows the evaluation of the PC coefficients on a grid of spacial points via (1) Bayesian model average or (2) medial probability model, and their construction as functions on the spacial domain via spline interpolation. The former accounts the model uncertainty and provides Bayes-optimal predictions; while the latter, additionally, provides a sparse representation of the solution by evaluating the expansion on a subset of dominating gPC bases when represented as a gPC expansion. Moreover, the method quantifies the importance of the gPC bases through inclusion probabilities. We design an MCMC sampler that evaluates all the unknown quantities without the need of ad-hoc techniques. The proposed method is suitable for, but not restricted to, problems whose stochastic solution is sparse at the stochastic level with respect to the gPC bases while the deterministic solver involved is expensive. We demonstrate the good performance of the proposed method and make comparisons with others on 1D, 14D and 40D in random space elliptic stochastic partial differential equations.

  20. Approximating Integrals Using Probability

    ERIC Educational Resources Information Center

    Maruszewski, Richard F., Jr.; Caudle, Kyle A.

    2005-01-01

    As part of a discussion on Monte Carlo methods, which outlines how to use probability expectations to approximate the value of a definite integral. The purpose of this paper is to elaborate on this technique and then to show several examples using visual basic as a programming tool. It is an interesting method because it combines two branches of…

  1. Numerical approximation of higher-order time-fractional telegraph equation by using a combination of a geometric approach and method of line

    NASA Astrophysics Data System (ADS)

    Hashemi, M. S.; Baleanu, D.

    2016-07-01

    We propose a simple and accurate numerical scheme for solving the time fractional telegraph (TFT) equation within Caputo type fractional derivative. A fictitious coordinate ϑ is imposed onto the problem in order to transform the dependent variable u (x , t) into a new variable with an extra dimension. In the new space with the added fictitious dimension, a combination of method of line and group preserving scheme (GPS) is proposed to find the approximate solutions. This method preserves the geometric structure of the problem. Power and accuracy of this method has been illustrated through some examples of TFT equation.

  2. A new algorithm for high-dimensional uncertainty quantification based on dimension-adaptive sparse grid approximation and reduced basis methods

    NASA Astrophysics Data System (ADS)

    Chen, Peng; Quarteroni, Alfio

    2015-10-01

    In this work we develop an adaptive and reduced computational algorithm based on dimension-adaptive sparse grid approximation and reduced basis methods for solving high-dimensional uncertainty quantification (UQ) problems. In order to tackle the computational challenge of "curse of dimensionality" commonly faced by these problems, we employ a dimension-adaptive tensor-product algorithm [16] and propose a verified version to enable effective removal of the stagnation phenomenon besides automatically detecting the importance and interaction of different dimensions. To reduce the heavy computational cost of UQ problems modelled by partial differential equations (PDE), we adopt a weighted reduced basis method [7] and develop an adaptive greedy algorithm in combination with the previous verified algorithm for efficient construction of an accurate reduced basis approximation. The efficiency and accuracy of the proposed algorithm are demonstrated by several numerical experiments.

  3. Split-step non-paraxial beam propagation method

    NASA Astrophysics Data System (ADS)

    Sharma, Anurag; Agrawal, Arti

    2004-06-01

    A new method for solving the wave equation is presented, which, being non-paraxial, is applicable to wide-angle beam propagation. It shows very good stability characteristics in the sense that relatively larger step-sizes can be used. It is both faster and easier to implement. The method is based on symmetrized splitting of operators, one representing the propagation through a uniform medium and the other, the effect of the refractive index variation of the guiding structure. The method can be implemented in the FD-BPM, FFT-BPM and collocation schemes. The method is stable for a step size of 1 micron in a graded index waveguide with accuracy better than 0.001 in the field overlap integral for 1000-micron propagation. At a tilt angle of 50°, the method shows an error less than 0.001 with 0.25-micron step. In the benchmark test, the present method shows a relative power of ~0.96 in a 100 micron long waveguide with 1000 propagation steps and 800 sample points, while FD-BPM with Pade(2,2) approximation gives a relative power of 0.95 with 1000 sample points and 2048 propagation steps. Thus, the method requires fewer points, is easier to implement, faster, more accurate and highly stable.

  4. Approximate method for estimating plasma ionization characteristics based on numerical simulation of the dynamics of a plasma bunch with a high specific energy in the upper ionosphere

    NASA Astrophysics Data System (ADS)

    Motorin, A. A.; Stupitsky, E. L.; Kholodov, A. S.

    2016-07-01

    The spatiotemporal pattern for the development of a plasma cloud formed in the ionosphere and the main cloud gas-dynamic characteristics have been obtained from 3D calculations of the explosion-type plasmodynamic flows previously performed by us. An approximate method for estimating the plasma temperature and ionization degree with the introduction of the effective adiabatic index has been proposed based on these results.

  5. Description of spin–orbit coupling in excited states with two-component methods based on approximate coupled-cluster theory

    SciTech Connect

    Krause, Katharina; Klopper, Wim

    2015-03-14

    A generalization of the approximated coupled-cluster singles and doubles method and the algebraic diagrammatic construction scheme up to second order to two-component spinors obtained from a relativistic Hartree–Fock calculation is reported. Computational results for zero-field splittings of atoms and monoatomic cations, triplet lifetimes of two organic molecules, and the spin-forbidden part of the UV/Vis absorption spectrum of tris(ethylenediamine)cobalt(III) are presented.

  6. Simple approximation of total emissivity of CO2-H2O mixture used in the zonal method of calculation of heat transfer by radiation

    NASA Astrophysics Data System (ADS)

    Lisienko, V. G.; Malikov, G. K.; Titaev, A. A.

    2014-12-01

    The paper presents a new simple-to-use expression to calculate the total emissivity of a mixture of gases CO2 and H2O used for modeling heat transfer by radiation in industrial furnaces. The accuracy of this expression is evaluated using the exponential wide band model. It is found that the time taken to calculate the total emissivity in this expression is 1.5 times less than in other approximation methods.

  7. CranSLIK v2.0: improving the stochastic prediction of oil spill transport and fate using approximation methods

    NASA Astrophysics Data System (ADS)

    Rutherford, R.; Moulitsas, I.; Snow, B. J.; Kolios, A. J.; De Dominicis, M.

    2015-10-01

    Oil spill models are used to forecast the transport and fate of oil after it has been released. CranSLIK is a model that predicts the movement and spread of a surface oil spill at sea via a stochastic approach. The aim of this work is to identify parameters that can further improve the forecasting algorithms and expand the functionality of CranSLIK, while maintaining the run-time efficiency of the method. The results from multiple simulations performed using the operational, validated oil spill model, MEDSLIK-II, were analysed using multiple regression in order to identify improvements which could be incorporated into CranSLIK. This has led to a revised model, namely CranSLIK v2.0, which was validated against MEDSLIK-II forecasts for real oil spill cases. The new version of CranSLIK demonstrated significant forecasting improvements by capturing the oil spill accurately in real validation cases and also proved capable of simulating a broader range of oil spill scenarios.

  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

    NASA Astrophysics Data System (ADS)

    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. A minimalistic approach to static and dynamic electron correlations: Amending generalized valence bond method with extended random phase approximation correlation correction

    NASA Astrophysics Data System (ADS)

    Chatterjee, Koushik; Pastorczak, Ewa; Jawulski, Konrad; Pernal, Katarzyna

    2016-06-01

    A perfect-pairing generalized valence bond (GVB) approximation is known to be one of the simplest approximations, which allows one to capture the essence of static correlation in molecular systems. In spite of its attractive feature of being relatively computationally efficient, this approximation misses a large portion of dynamic correlation and does not offer sufficient accuracy to be generally useful for studying electronic structure of molecules. We propose to correct the GVB model and alleviate some of its deficiencies by amending it with the correlation energy correction derived from the recently formulated extended random phase approximation (ERPA). On the examples of systems of diverse electronic structures, we show that the resulting ERPA-GVB method greatly improves upon the GVB model. ERPA-GVB recovers most of the electron correlation and it yields energy barrier heights of excellent accuracy. Thanks to a balanced treatment of static and dynamic correlation, ERPA-GVB stays reliable when one moves from systems dominated by dynamic electron correlation to those for which the static correlation comes into play.

  10. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation

    NASA Astrophysics Data System (ADS)

    Mohammadpour, Mozhdeh; Jamshidi, Zahra

    2016-05-01

    The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation.

  11. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation.

    PubMed

    Mohammadpour, Mozhdeh; Jamshidi, Zahra

    2016-05-21

    The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation. PMID:27208944

  12. Approximate kernel competitive learning.

    PubMed

    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. PMID:25528318

  13. Derivation and evaluation of an approximate analysis for three-dimensional viscous subsonic flow with large secondary velocities. [finite difference method

    NASA Technical Reports Server (NTRS)

    Anderson, O. L.; Briley, W. R.; Mcdonald, H.

    1978-01-01

    An approximate analysis is presented for calculating three-dimensional, low Mach number, laminar viscous flows in curved passages with large secondary flows and corner boundary layers. The analysis is based on the decomposition of the overall velocity field into inviscid and viscous components with the overall velocity being determined from superposition. An incompressible vorticity transport equation is used to estimate inviscid secondary flow velocities to be used as corrections to the potential flow velocity field. A parabolized streamwise momentum equation coupled to an adiabatic energy equation and global continuity equation is used to obtain an approximate viscous correction to the pressure and longitudinal velocity fields. A collateral flow assumption is invoked to estimate the viscous correction to the transverse velocity fields. The approximate analysis is solved numerically using an implicit ADI solution for the viscous pressure and velocity fields. An iterative ADI procedure is used to solve for the inviscid secondary vorticity and velocity fields. This method was applied to computing the flow within a turbine vane passage with inlet flow conditions of M = 0.1 and M = 0.25, Re = 1000 and adiabatic walls, and for a constant radius curved rectangular duct with R/D = 12 and 14 and with inlet flow conditions of M = 0.1, Re = 1000, and adiabatic walls.

  14. 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.

    PubMed

    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. PMID:26561777

  15. An approximate method for solving the problem of the establishment of chemical equilibrium in the products of explosion of gas mixture

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    Based on the assumption of the existence of the partial chemical equilibrium in the detonation products, an approximate method for calculating composition of the detonation products is developed. The method uses the assumption of the existence of extremum of Helmholtz free energy for a given density, temperature, and molecular weight of the detonation products mixture. Without significant loss of accuracy to the solution of stiff differential equations, detailed kinetic mechanism can be replaced by one 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 decision of a stiff system, replacing it when bimolecular reactions are near equilibrium.

  16. An approximate theoretical method for modeling the static thrust performance of non-axisymmetric two-dimensional convergent-divergent nozzles. M.S. Thesis - George Washington Univ.

    NASA Technical Reports Server (NTRS)

    Hunter, Craig A.

    1995-01-01

    An analytical/numerical method has been developed to predict the static thrust performance of non-axisymmetric, two-dimensional convergent-divergent exhaust nozzles. Thermodynamic nozzle performance effects due to over- and underexpansion are modeled using one-dimensional compressible flow theory. Boundary layer development and skin friction losses are calculated using an approximate integral momentum method based on the classic karman-Polhausen solution. Angularity effects are included with these two models in a computational Nozzle Performance Analysis Code, NPAC. In four different case studies, results from NPAC are compared to experimental data obtained from subscale nozzle testing to demonstrate the capabilities and limitations of the NPAC method. In several cases, the NPAC prediction matched experimental gross thrust efficiency data to within 0.1 percent at a design NPR, and to within 0.5 percent at off-design conditions.

  17. Influence of contact points on the performance of caries detection methods in approximal surfaces of primary molars: an in vivo study.

    PubMed

    Ribeiro, Apoena A; Purger, Flávia; Rodrigues, Jonas A; Oliveira, Patrícia R A; Lussi, Adrian; Monteiro, Antonio Henrique; Alves, Haimon D L; Assis, Joaquim T; Vasconcellos, Adalberto B

    2015-01-01

    This in vivo study aimed to evaluate the influence of contact points on the approximal caries detection in primary molars, by comparing the performance of the DIAGNOdent pen and visual-tactile examination after tooth separation to bitewing radiography (BW). A total of 112 children were examined and 33 children were selected. In three periods (a, b, and c), 209 approximal surfaces were examined: (a) examiner 1 performed visual-tactile examination using the Nyvad criteria (EX1); examiner 2 used DIAGNOdent pen (LF1) and took BW; (b) 1 week later, after tooth separation, examiner 1 performed the second visual-tactile examination (EX2) and examiner 2 used DIAGNOdent again (LF2); (c) after tooth exfoliation, surfaces were directly examined using DIAGNOdent (LF3). Teeth were examined by computed microtomography as a reference standard. Analyses were based on diagnostic thresholds: D1: D 0 = health, D 1 –D 4 = disease; D2: D 0 , D 1 = health, D 2 –D 4 = disease; D3: D 0 –D 2 = health, D 3 , D 4 = disease. At D1, the highest sensitivity/specificity were observed for EX1 (1.00)/LF3 (0.68), respectively. At D2, the highest sensitivity/ specificity were observed for LF3 (0.69)/BW (1.00), respectively. At D3, the highest sensitivity/specificity were observed for LF3 (0.78)/EX1, EX2 and BW (1.00). EX1 showed higher accuracy values than LF1, and EX2 showed similar values to LF2. We concluded that the visual-tactile examination showed better results in detecting sound surfaces and approximal caries lesions without tooth separation. However, the effectiveness of approximal caries lesion detection of both methods was increased by the absence of contact points. Therefore, regardless of the method of detection, orthodontic separating elastics should be used as a complementary tool for the diagnosis of approximal noncavitated lesions in primary molars. PMID:25572115

  18. Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

    NASA Astrophysics Data System (ADS)

    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.

  19. Configuration Interaction-Corrected Tamm-Dancoff Approximation: A Time-Dependent Density Functional Method with the Correct Dimensionality of Conical Intersections.

    PubMed

    Li, Shaohong L; Marenich, Aleksandr V; Xu, Xuefei; Truhlar, Donald G

    2014-01-16

    Linear response (LR) Kohn-Sham (KS) time-dependent density functional theory (TDDFT), or KS-LR, has been widely used to study electronically excited states of molecules and is the method of choice for large and complex systems. The Tamm-Dancoff approximation to TDDFT (TDDFT-TDA or KS-TDA) gives results similar to KS-LR and alleviates the instability problem of TDDFT near state intersections. However, KS-LR and KS-TDA share a debilitating feature; conical intersections of the reference state and a response state occur in F - 1 instead of the correct F - 2 dimensions, where F is the number of internal degrees of freedom. Here, we propose a new method, named the configuration interaction-corrected Tamm-Dancoff approximation (CIC-TDA), that eliminates this problem. It calculates the coupling between the reference state and an intersecting response state by interpreting the KS reference-state Slater determinant and linear response as if they were wave functions. Both formal analysis and test results show that CIC-TDA gives similar results to KS-TDA far from a conical intersection, but the intersection occurs with the correct dimensionality. We anticipate that this will allow more realistic application of TDDFT to photochemistry. PMID:26270707

  20. Approximation methods for the identification and control of distributed-parameter systems. Final technical report, 1 October 1984-30 September 1987

    SciTech Connect

    Rosen, I.G.

    1987-11-20

    Efforts to develop computational methods for the identification and optimal control of linear and nonlinear systems governed by distributed-parameter systems are reported on. Specifically, approximation methods for determining Optimal LOG compensators (feedback control and estimator gains) and functional parameters in linear and nonlinear partial differential equations and hereditary systems were developed, analyzed, and tested. The study included theoretical, experimental, and numerical components. Covergence theories for spline-based and modal finite-element schemes were established, and extensive numerical studies on both conventional (serial) and vector supercomputers were carried out. A parameter estimation scheme was tested using experimental data taken from the RPL structure, a laboratory experiment designed to test control algorithms for the large-angle slewing of spacecraft with flexible appendages, and other projects involving the identification of flexible structures based upon experimental data were initiated.

  1. Method for locating and evaluating subsurface uranium deposits having an apparent grade of up to approximately 5% contained U/sub 3/O/sub 8/

    SciTech Connect

    Miller, B.R.

    1982-09-14

    This invention relates to a novel method for both locating and evaluating subsurface uranium-bearing formations containing an apparent grade of up to approximately 5% of contained U/sub 3/O/sub 8/. The steps include taking readings of the natural gamma count from an unknown radioactive formation on both the shielded and unshielded detectors with the external gamma source shielded, uncovering the external gamma source and reading the count-rate on both the shielded and unshielded detectors, comparing the ratio of the natural gamma count recorded by the unshielded and shielded detectors with a similar ratio recorded by the same detectors in a uranium-bearing matrix of known concentration no greater than approximately 5% in a state of equilibrium to ascertain first if a state of disequilibrium exists and, secondly , if a state of disequilibrium is found to exist then to determine if this state of apparent disequilibrium is being influenced by the presence of either thorium or potassium or, alternatively, is primarily the result of a disequilibrium between uranium and its daughter products. The natural radiation seen by the shielded probe provides the data for a determination of the apparent grade of U/sub 3/O/sub 8/ used in later calculations. Finally , if the disequilibrium is found to exist between uranium and its daughter products, then determining the direction and approximate order of magnitude of the disequilibrium by analyzing the ratio of the count rates detected by the shielded and unsheilded detectors ascertained from a suspected uranium-bearing formation.

  2. Identifying Early Paleozoic tectonic relations in a region affected by post-Taconian transcurrent faulting, an example from the PA-DE Piedmont

    SciTech Connect

    Alcock, J. . Dept. of Environmental Science); Wagner, M.E. . Geology); Srogi, L.A. . Dept. of Geology and Astronomy)

    1993-03-01

    Post-Taconian transcurrent faulting in the Appalachian Piedmont presents a significant problem to workers attempting to reconstruct the Early Paleozoic tectonic history. One solution to the problem is to identify blocks that lie between zones of transcurrent faulting and that retain the Early Paleozoic arrangement of litho-tectonic units. The authors propose that a comparison of metamorphic histories of different units can be used to recognize blocks of this type. The Wilmington Complex (WC) arc terrane, the pre-Taconian Laurentian margin rocks (LM) exposed in basement-cored massifs, and the Wissahickon Group metapelites (WS) that lie between them are three litho-tectonic units in the PA-DE Piedmont that comprise a block assembled in the Early Paleozoic. Evidence supporting this interpretation includes: (1) Metamorphic and lithologic differences across the WC-WS contact and detailed geologic mapping of the contact that suggest thrusting of the WC onto the WS; (2) A metamorphic gradient in the WS with highest grade, including spinel-cordierite migmatites, adjacent to the WC indicating that peak metamorphism of the WS resulted from heating by the WC; (3) A metamorphic discontinuity at the WS-LM contact, evidence for emplacement of the WS onto the LM after WS peak metamorphism; (4) A correlation of mineral assemblage in the Cockeysville Marble of the LM with distance from the WS indicating that peak metamorphism of the LM occurred after emplacement of the WS; and (5) Early Paleozoic lower intercept zircon ages for the LM that are interpreted to date Taconian regional metamorphism. Analysis of metamorphism and its timing relative to thrusting suggest that the WS was associated with the WC before the WS was emplaced onto the LM during the Taconian. It follows that these units form a block that has not been significantly disrupted by later transcurrent shear.

  3. Multicriteria approximation through decomposition

    SciTech Connect

    Burch, C. |; Krumke, S.; Marathe, M.; Phillips, C.; Sundberg, E. |

    1997-12-01

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of the technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. The method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) The authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing. (2) They show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  4. Multicriteria approximation through decomposition

    SciTech Connect

    Burch, C.; Krumke, S.; Marathe, M.; Phillips, C.; Sundberg, E.

    1998-06-01

    The authors propose a general technique called solution decomposition to devise approximation algorithms with provable performance guarantees. The technique is applicable to a large class of combinatorial optimization problems that can be formulated as integer linear programs. Two key ingredients of their technique involve finding a decomposition of a fractional solution into a convex combination of feasible integral solutions and devising generic approximation algorithms based on calls to such decompositions as oracles. The technique is closely related to randomized rounding. Their method yields as corollaries unified solutions to a number of well studied problems and it provides the first approximation algorithms with provable guarantees for a number of new problems. The particular results obtained in this paper include the following: (1) the authors demonstrate how the technique can be used to provide more understanding of previous results and new algorithms for classical problems such as Multicriteria Spanning Trees, and Suitcase Packing; (2) they also show how the ideas can be extended to apply to multicriteria optimization problems, in which they wish to minimize a certain objective function subject to one or more budget constraints. As corollaries they obtain first non-trivial multicriteria approximation algorithms for problems including the k-Hurdle and the Network Inhibition problems.

  5. The accuracy of the DDA (Discrete Dipole Approximation) method in determining the optical properties of black carbon fractal-like aggregates

    NASA Astrophysics Data System (ADS)

    Skorupski, Krzysztof

    2015-05-01

    Black carbon (BC) particles are a product of incomplete combustion of carbon-based fuels. One of the possibilities of studying the optical properties of BC structures is to use the DDA (Discrete Dipole Approximation) method. The main goal of this work was to investigate its accuracy and to approximate the most reliable simulation parameters. For the light scattering simulations the ADDA code was used and for the reference program the superposition T-Matrix code by Mackowski was selected. The study was divided into three parts. First, DDA simulations for a single particle (sphere) were performed. The results proved that the meshing algorithm can significantly affect the particle shape, and therefore, the extinction diagrams. The volume correction procedure is recommended for sparse or asymmetrical meshes. In the next step large fractal-like aggregates were investigated. When sparse meshes are used, the impact of the volume correction procedure cannot be easily predicted. In some cases it can even lead to more erroneous results. Finally, the optical properties of fractal-like aggregates composed of spheres in point contact were compared to much more realistic structures made up of connected, non-spherical primary particles.

  6. A simple method for the approximation of the behaviour of marker constituents in density-fractionated red blood cells by means of normalized cumulative distribution functions.

    PubMed

    Gross, J; Schmalisch, G; Syllm-Rapoport, I

    1983-01-01

    The present paper proposes a mathematical approach for the approximation of the relation between the concentration (or activity) of a cell constituent and the cumulative red cell distribution after density gradient centrifugation by means of normalized cumulative distribution functions (NCDF). With only one parameter (easily obtained on a programmable pocket calculator) and the mean concentration of the substance in the total red cell population this functional relation can be described in good approximation. The goodness of fit expressed by v2 (= square of correlation coefficient) to the experimentally obtained data is demonstrated for the cell constituents creatine (v2 = 0.85-0.97), RNA (v2 = 0.82-0.87) and G-6PD (v2 = 0.60-0.95). The method of NCDF is shown to be superior to an exponential function. It permits the estimation of a concentration (or activity) of a cell constituent for any chosen density-fractionated cell portion and thus gives information on the ratio of standardized portions of young: old cells. PMID:6200104

  7. An Efficient Method for Calculating the Characteristics of the Integrated Lens Antennas on the Basis of the Geometrical and Physical Optics Approximations

    NASA Astrophysics Data System (ADS)

    Mozharovskiy, A. V.; Artemenko, A. A.; Mal'tsev, A. A.; Maslennikov, R. O.; Sevast'yanov, A. G.; Ssorin, V. N.

    2015-11-01

    We develop a combined method for calculating the characteristics of the integrated lens antennas for millimeter-wave wireless local radio-communication systems on the basis of the geometrical and physical optics approximations. The method is based on the concepts of geometrical optics for calculating the electromagnetic-field distribution on the lens surface (with allowance for multiple internal re-reflections) and physical optics for determining the antenna-radiated fields in the Fraunhofer zone. Using the developed combined method, we study various integrated lens antennas on the basis of the data on the used-lens shape and material and the primary-feed radiation model, which is specified analytically or by computer simulation. Optimal values of the cylindrical-extension length, which ensure the maximum antenna directivity equal to 19.1 and 23.8 dBi for the greater and smaller lenses, respectively, are obtained for the hemispherical quartz-glass lenses having the cylindrical extensions with radii of 7.5 and 12.5 mm. In this case, the scanning-angle range of the considered antennas is greater than ±20° for an admissible 2-dB decrease in the directivity of the deflected beam. The calculation results obtained using the developed method are confirmed by the experimental studies performed for the prototypes of the integrated quartz-glass lens antennas within the framework of this research.

  8. Enhanced fixed-size parallel speedup with the Muskingum method using a trans-boundary approach and a large subbasins approximation

    NASA Astrophysics Data System (ADS)

    David, Cédric H.; Famiglietti, James S.; Yang, Zong-Liang; Eijkhout, Victor

    2015-09-01

    This study presents a new algorithm for parallel computation of river flow that builds on recent work demonstrating the relative independence of distant river reaches in the update step of the Muskingum method. The algorithm is designed to achieve enhanced fixed-size parallel speedup and uses a mathematical approximation applied at the boundaries of large subbasins. In order to use such an algorithm, a balanced domain decomposition method that differs from the traditional classifications of river reaches and subbasins and based on network topology is developed. An application of the algorithm and domain decomposition method to the Mississippi River Basin results in an eightfold decrease in computing time with 16 computing cores which is unprecedented for Muskingum-type algorithms applied in classic parallel-computing paradigms having a one-to-one relationship between cores and subbasins. An estimated 300 km between upstream and downstream reaches of subbasins guarantees the applicability of the algorithm in our study and motivates further investigation of domain decomposition methods.

  9. An exact formulation of k-distribution methods in non-uniform gaseous media and its approximate treatment within the Multi-Spectral framework

    NASA Astrophysics Data System (ADS)

    ANDRE, Frédéric; HOU, Longfeng; SOLOVJOV, Vladimir P.

    2016-01-01

    The main restriction of k-distribution approaches for applications in radiative heat transfer in gaseous media arises from the use of a scaling or correlation assumption to treat non-uniform situations. It is shown that those cases can be handled exactly by using a multidimensional k-distribution that addresses the problem of spectral correlations without using any simplifying assumptions. Nevertheless, the approach cannot be suggested for engineering applications due to its computational cost. Accordingly, a more efficient method, based on the so-called Multi-Spectral Framework, is proposed to approximate the previous exact formulation. The model is assessed against reference LBL calculations and shown to outperform usual k-distribution approaches for radiative heat transfer in non-uniform media.

  10. A method to study electronic transport properties of molecular junction: one-dimension transmission combined with three-dimension correction approximation (OTCTCA)

    PubMed Central

    Liu, Ran; Wang, Chuan-Kui; Li, Zong-Liang

    2016-01-01

    Based on the ab initio calculation, a method of one-dimension transmission combined with three-dimension correction approximation (OTCTCA) is developed to investigate electron-transport properties of molecular junctions. The method considers that the functional molecule provides a spatial distribution of effective potential field for the electronic transport. The electrons are injected from one electrode by bias voltage, then transmit through the potential field around the functional molecule, at last are poured into the other electrode with a specific transmission probability which is calculated from one-dimension Schrödinger equation combined with three-dimension correction. The electron-transport properties of alkane diamines and 4, 4′-bipyridine molecular junctions are studied by applying OTCTCA method. The numerical results show that the conductance obviously exponentially decays with the increase of molecular length. When stretching molecular junctions, steps with a certain width are presented in conductance traces. Especially, in stretching process of 4, 4′-bipyridine molecular junction, if the terminal N atom is broken from flat part of electrode tip and exactly there is a surface Au atom on the tip nearby the N atom, the molecule generally turns to absorb on the surface Au atom, which further results in another lower conductance step in the traces as the experimental probing. PMID:26911451

  11. A method to study electronic transport properties of molecular junction: one-dimension transmission combined with three-dimension correction approximation (OTCTCA).

    PubMed

    Liu, Ran; Wang, Chuan-Kui; Li, Zong-Liang

    2016-01-01

    Based on the ab initio calculation, a method of one-dimension transmission combined with three-dimension correction approximation (OTCTCA) is developed to investigate electron-transport properties of molecular junctions. The method considers that the functional molecule provides a spatial distribution of effective potential field for the electronic transport. The electrons are injected from one electrode by bias voltage, then transmit through the potential field around the functional molecule, at last are poured into the other electrode with a specific transmission probability which is calculated from one-dimension Schrödinger equation combined with three-dimension correction. The electron-transport properties of alkane diamines and 4, 4'-bipyridine molecular junctions are studied by applying OTCTCA method. The numerical results show that the conductance obviously exponentially decays with the increase of molecular length. When stretching molecular junctions, steps with a certain width are presented in conductance traces. Especially, in stretching process of 4, 4'-bipyridine molecular junction, if the terminal N atom is broken from flat part of electrode tip and exactly there is a surface Au atom on the tip nearby the N atom, the molecule generally turns to absorb on the surface Au atom, which further results in another lower conductance step in the traces as the experimental probing. PMID:26911451

  12. A method to study electronic transport properties of molecular junction: one-dimension transmission combined with three-dimension correction approximation (OTCTCA)

    NASA Astrophysics Data System (ADS)

    Liu, Ran; Wang, Chuan-Kui; Li, Zong-Liang

    2016-02-01

    Based on the ab initio calculation, a method of one-dimension transmission combined with three-dimension correction approximation (OTCTCA) is developed to investigate electron-transport properties of molecular junctions. The method considers that the functional molecule provides a spatial distribution of effective potential field for the electronic transport. The electrons are injected from one electrode by bias voltage, then transmit through the potential field around the functional molecule, at last are poured into the other electrode with a specific transmission probability which is calculated from one-dimension Schrödinger equation combined with three-dimension correction. The electron-transport properties of alkane diamines and 4, 4‧-bipyridine molecular junctions are studied by applying OTCTCA method. The numerical results show that the conductance obviously exponentially decays with the increase of molecular length. When stretching molecular junctions, steps with a certain width are presented in conductance traces. Especially, in stretching process of 4, 4‧-bipyridine molecular junction, if the terminal N atom is broken from flat part of electrode tip and exactly there is a surface Au atom on the tip nearby the N atom, the molecule generally turns to absorb on the surface Au atom, which further results in another lower conductance step in the traces as the experimental probing.

  13. Handbook for quick cost estimates. A method for developing quick approximate estimates of costs for generic actions for nuclear power plants

    SciTech Connect

    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.

  14. Beyond the Kirchhoff approximation

    NASA Technical Reports Server (NTRS)

    Rodriguez, Ernesto

    1989-01-01

    The three most successful models for describing scattering from random rough surfaces are the Kirchhoff approximation (KA), the small-perturbation method (SPM), and the two-scale-roughness (or composite roughness) surface-scattering (TSR) models. In this paper it is shown how these three models can be derived rigorously from one perturbation expansion based on the extinction theorem for scalar waves scattering from perfectly rigid surface. It is also shown how corrections to the KA proportional to the surface curvature and higher-order derivatives may be obtained. Using these results, the scattering cross section is derived for various surface models.

  15. Approximate factorization with source terms

    NASA Technical Reports Server (NTRS)

    Shih, T. I.-P.; Chyu, W. J.

    1991-01-01

    A comparative evaluation is made of three methodologies with a view to that which offers the best approximate factorization error. While two of these methods are found to lead to more efficient algorithms in cases where factors which do not contain source terms can be diagonalized, the third method used generates the lowest approximate factorization error. This method may be preferred when the norms of source terms are large, and transient solutions are of interest.

  16. Approximate constants of motion for classically chaotic vibrational dynamics - Vague tori, semiclassical quantization, and classical intramolecular energy flow

    NASA Technical Reports Server (NTRS)

    Shirts, R. B.; Reinhardt, W. P.

    1982-01-01

    Substantial short time regularity, even in the chaotic regions of phase space, is found for what is seen as a large class of systems. This regularity manifests itself through the behavior of approximate constants of motion calculated by Pade summation of the Birkhoff-Gustavson normal form expansion; it is attributed to remnants of destroyed invariant tori in phase space. The remnant torus-like manifold structures are used to justify Einstein-Brillouin-Keller semiclassical quantization procedures for obtaining quantum energy levels, even in the absence of complete tori. They also provide a theoretical basis for the calculation of rate constants for intramolecular mode-mode energy transfer. These results are illustrated by means of a thorough analysis of the Henon-Heiles oscillator problem. Possible generality of the analysis is demonstrated by brief consideration of classical dynamics for the Barbanis Hamiltonian, Zeeman effect in hydrogen and recent results of Wolf and Hase (1980) for the H-C-C fragment.

  17. Approximate option pricing

    SciTech Connect

    Chalasani, P.; Saias, I.; Jha, S.

    1996-04-08

    As increasingly large volumes of sophisticated options (called derivative securities) are traded in world financial markets, determining a fair price for these options has become an important and difficult computational problem. Many valuation codes use the binomial pricing model, in which the stock price is driven by a random walk. In this model, the value of an n-period option on a stock is the expected time-discounted value of the future cash flow on an n-period stock price path. Path-dependent options are particularly difficult to value since the future cash flow depends on the entire stock price path rather than on just the final stock price. Currently such options are approximately priced by Monte carlo methods with error bounds that hold only with high probability and which are reduced by increasing the number of simulation runs. In this paper the authors show that pricing an arbitrary path-dependent option is {number_sign}-P hard. They show that certain types f path-dependent options can be valued exactly in polynomial time. Asian options are path-dependent options that are particularly hard to price, and for these they design deterministic polynomial-time approximate algorithms. They show that the value of a perpetual American put option (which can be computed in constant time) is in many cases a good approximation to the value of an otherwise identical n-period American put option. In contrast to Monte Carlo methods, the algorithms have guaranteed error bounds that are polynormally small (and in some cases exponentially small) in the maturity n. For the error analysis they derive large-deviation results for random walks that may be of independent interest.

  18. Dynamic mean field theory for lattice gas models of fluids confined in porous materials: Higher order theory based on the Bethe-Peierls and path probability method approximations

    SciTech Connect

    Edison, John R.; Monson, Peter A.

    2014-07-14

    Recently we have developed a dynamic mean field theory (DMFT) for lattice gas models of fluids in porous materials [P. A. Monson, J. Chem. Phys. 128(8), 084701 (2008)]. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable states for fluids in pores and is especially useful for studying system exhibiting adsorption/desorption hysteresis. In this paper we discuss the extension of the theory to higher order by means of the path probability method (PPM) of Kikuchi and co-workers. We show that this leads to a treatment of the dynamics that is consistent with thermodynamics coming from the Bethe-Peierls or Quasi-Chemical approximation for the equilibrium or metastable equilibrium states of the lattice model. We compare the results from the PPM with those from DMFT and from dynamic Monte Carlo simulations. We find that the predictions from PPM are qualitatively similar to those from DMFT but give somewhat improved quantitative accuracy, in part due to the superior treatment of the underlying thermodynamics. This comes at the cost of greater computational expense associated with the larger number of equations that must be solved.

  19. Structural optimization with approximate sensitivities

    NASA Technical Reports Server (NTRS)

    Patnaik, S. N.; Hopkins, D. A.; Coroneos, R.

    1994-01-01

    Computational efficiency in structural optimization can be enhanced if the intensive computations associated with the calculation of the sensitivities, that is, gradients of the behavior constraints, are reduced. Approximation to gradients of the behavior constraints that can be generated with small amount of numerical calculations is proposed. Structural optimization with these approximate sensitivities produced correct optimum solution. Approximate gradients performed well for different nonlinear programming methods, such as the sequence of unconstrained minimization technique, method of feasible directions, sequence of quadratic programming, and sequence of linear programming. Structural optimization with approximate gradients can reduce by one third the CPU time that would otherwise be required to solve the problem with explicit closed-form gradients. The proposed gradient approximation shows potential to reduce intensive computation that has been associated with traditional structural optimization.

  20. A novel solution procedure for a three-level atom interacting with one-mode cavity field via modified homotopy analysis method

    NASA Astrophysics Data System (ADS)

    Abdel Wahab, N. H.; Salah, Ahmed

    2015-05-01

    In this paper, the interaction of a three-level -configration atom and a one-mode quantized electromagnetic cavity field has been studied. The detuning parameters, the Kerr nonlinearity and the arbitrary form of both the field and intensity-dependent atom-field coupling have been taken into account. The wave function when the atom and the field are initially prepared in the excited state and coherent state, respectively, by using the Schrödinger equation has been given. The analytical approximation solution of this model has been obtained by using the modified homotopy analysis method (MHAM). The homotopy analysis method is mentioned summarily. MHAM can be obtained from the homotopy analysis method (HAM) applied to Laplace, inverse Laplace transform and Pade approximate. MHAM is used to increase the accuracy and accelerate the convergence rate of truncated series solution obtained by the HAM. The time-dependent parameters of the anti-bunching of photons, the amplitude-squared squeezing and the coherent properties have been calculated. The influence of the detuning parameters, Kerr nonlinearity and photon number operator on the temporal behavior of these phenomena have been analyzed. We noticed that the considered system is sensitive to variations in the presence of these parameters.

  1. Pulmonary nodules: a quantitative method of diagnosis by evaluating nodule perimeter difference to approximate oval using three-dimensional CT images.

    PubMed

    Kamiya, Hisashi; Murayama, Sadayuki; Kakinohana, Yasumasa; Miyara, Tetsuhiro

    2011-01-01

    The purpose of this study was to investigate whether maximum nodule perimeter to the approximate oval could discriminate benign nodules from malignancy. Measurement of maximum nodule perimeter difference to the approximate oval was performed using volume-rendering images of three directions of each pulmonary nodule. The margin was then traced manually and our custom software delineated the approximate oval automatically. The maximum nodule perimeter difference was 26.5±23.3 mm for malignant and 16.6±16.9 mm for benign nodules, showing an almost statistically significant difference (P=.07). This study suggests that the maximum nodule perimeter difference to the approximate oval of the malignant nodules has a tendency to be longer than benign nodules. PMID:21377050

  2. Approximate flavor symmetries

    SciTech Connect

    Rasin, A.

    1994-04-01

    We discuss the idea of approximate flavor symmetries. Relations between approximate flavor symmetries and natural flavor conservation and democracy models is explored. Implications for neutrino physics are also discussed.

  3. Approximate Genealogies Under Genetic Hitchhiking

    PubMed Central

    Pfaffelhuber, P.; Haubold, B.; Wakolbinger, A.

    2006-01-01

    The rapid fixation of an advantageous allele leads to a reduction in linked neutral variation around the target of selection. The genealogy at a neutral locus in such a selective sweep can be simulated by first generating a random path of the advantageous allele's frequency and then a structured coalescent in this background. Usually the frequency path is approximated by a logistic growth curve. We discuss an alternative method that approximates the genealogy by a random binary splitting tree, a so-called Yule tree that does not require first constructing a frequency path. Compared to the coalescent in a logistic background, this method gives a slightly better approximation for identity by descent during the selective phase and a much better approximation for the number of lineages that stem from the founder of the selective sweep. In applications such as the approximation of the distribution of Tajima's D, the two approximation methods perform equally well. For relevant parameter ranges, the Yule approximation is faster. PMID:17182733

  4. The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n-butane conformation and SN2 reaction: RCl+Cl -

    NASA Astrophysics Data System (ADS)

    Humbel, Stéphane; Sieber, Stefan; Morokuma, Keiji

    1996-08-01

    A new theoretical method, called IMOMO (integrated MO (molecular orbital)+MO), for integration of two different levels of MO approximation is presented. Only the active or more difficult part of a molecule is treated at a higher level of approximation and the rest of the molecule at a lower level of approximation. The integrated total energy and energy derivatives are defined from three different calculations, and the structure of transition state as well as the equilibrium structure can be optimized using the integrated energy. Any combination of any molecular orbital approximations (ab initio, density functional to semi-empirical) can be used. Test calculations in the IMOMO method have been performed and compared with normal MO calculations for the conformation energy of ethane and n-butane and the SN2 reaction of ethyl, propyl, isobutyl, and neopentyl chloride with Cl-. The results indicate that these methods have a tremendous potential for theoretical study of larger molecules, in particular for transition states.

  5. Exponential approximations in optimal design

    NASA Technical Reports Server (NTRS)

    Belegundu, A. D.; Rajan, S. D.; Rajgopal, J.

    1990-01-01

    One-point and two-point exponential functions have been developed and proved to be very effective approximations of structural response. The exponential has been compared to the linear, reciprocal and quadratic fit methods. Four test problems in structural analysis have been selected. The use of such approximations is attractive in structural optimization to reduce the numbers of exact analyses which involve computationally expensive finite element analysis.

  6. Gadgets, approximation, and linear programming

    SciTech Connect

    Trevisan, L.; Sudan, M.; Sorkin, G.B.; Williamson, D.P.

    1996-12-31

    We present a linear-programming based method for finding {open_quotes}gadgets{close_quotes}, i.e., combinatorial structures reducing constraints of one optimization problems to constraints of another. A key step in this method is a simple observation which limits the search space to a finite one. Using this new method we present a number of new, computer-constructed gadgets for several different reductions. This method also answers a question posed by on how to prove the optimality of gadgets-we show how LP duality gives such proofs. The new gadgets improve hardness results for MAX CUT and MAX DICUT, showing that approximating these problems to within factors of 60/61 and 44/45 respectively is N P-hard. We also use the gadgets to obtain an improved approximation algorithm for MAX 3SAT which guarantees an approximation ratio of .801. This improves upon the previous best bound of .7704.

  7. Comparison of two Pareto frontier approximations

    NASA Astrophysics Data System (ADS)

    Berezkin, V. E.; Lotov, A. V.

    2014-09-01

    A method for comparing two approximations to the multidimensional Pareto frontier in nonconvex nonlinear multicriteria optimization problems, namely, the inclusion functions method is described. A feature of the method is that Pareto frontier approximations are compared by computing and comparing inclusion functions that show which fraction of points of one Pareto frontier approximation is contained in the neighborhood of the Edgeworth-Pareto hull approximation for the other Pareto frontier.

  8. Approximate spatial reasoning

    NASA Technical Reports Server (NTRS)

    Dutta, Soumitra

    1988-01-01

    A model for approximate spatial reasoning using fuzzy logic to represent the uncertainty in the environment is presented. Algorithms are developed which can be used to reason about spatial information expressed in the form of approximate linguistic descriptions similar to the kind of spatial information processed by humans. Particular attention is given to static spatial reasoning.

  9. Approximation by hinge functions

    SciTech Connect

    Faber, V.

    1997-05-01

    Breiman has defined {open_quotes}hinge functions{close_quotes} for use as basis functions in least squares approximations to data. A hinge function is the max (or min) function of two linear functions. In this paper, the author assumes the existence of smooth function f(x) and a set of samples of the form (x, f(x)) drawn from a probability distribution {rho}(x). The author hopes to find the best fitting hinge function h(x) in the least squares sense. There are two problems with this plan. First, Breiman has suggested an algorithm to perform this fit. The author shows that this algorithm is not robust and also shows how to create examples on which the algorithm diverges. Second, if the author tries to use the data to minimize the fit in the usual discrete least squares sense, the functional that must be minimized is continuous in the variables, but has a derivative which jumps at the data. This paper takes a different approach. This approach is an example of a method that the author has developed called {open_quotes}Monte Carlo Regression{close_quotes}. (A paper on the general theory is in preparation.) The author shall show that since the function f is continuous, the analytic form of the least squares equation is continuously differentiable. A local minimum is solved for by using Newton`s method, where the entries of the Hessian are estimated directly from the data by Monte Carlo. The algorithm has the desirable properties that it is quadratically convergent from any starting guess sufficiently close to a solution and that each iteration requires only a linear system solve.

  10. An approximation technique for jet impingement flow

    SciTech Connect

    Najafi, Mahmoud; Fincher, Donald; Rahni, Taeibi; Javadi, KH.; Massah, H.

    2015-03-10

    The analytical approximate solution of a non-linear jet impingement flow model will be demonstrated. We will show that this is an improvement over the series approximation obtained via the Adomian decomposition method, which is itself, a powerful method for analysing non-linear differential equations. The results of these approximations will be compared to the Runge-Kutta approximation in order to demonstrate their validity.

  11. Calculator Function Approximation.

    ERIC Educational Resources Information Center

    Schelin, Charles W.

    1983-01-01

    The general algorithm used in most hand calculators to approximate elementary functions is discussed. Comments on tabular function values and on computer function evaluation are given first; then the CORDIC (Coordinate Rotation Digital Computer) scheme is described. (MNS)

  12. Approximate spatial reasoning

    NASA Technical Reports Server (NTRS)

    Dutta, Soumitra

    1988-01-01

    Much of human reasoning is approximate in nature. Formal models of reasoning traditionally try to be precise and reject the fuzziness of concepts in natural use and replace them with non-fuzzy scientific explicata by a process of precisiation. As an alternate to this approach, it has been suggested that rather than regard human reasoning processes as themselves approximating to some more refined and exact logical process that can be carried out with mathematical precision, the essence and power of human reasoning is in its capability to grasp and use inexact concepts directly. This view is supported by the widespread fuzziness of simple everyday terms (e.g., near tall) and the complexity of ordinary tasks (e.g., cleaning a room). Spatial reasoning is an area where humans consistently reason approximately with demonstrably good results. Consider the case of crossing a traffic intersection. We have only an approximate idea of the locations and speeds of various obstacles (e.g., persons and vehicles), but we nevertheless manage to cross such traffic intersections without any harm. The details of our mental processes which enable us to carry out such intricate tasks in such apparently simple manner are not well understood. However, it is that we try to incorporate such approximate reasoning techniques in our computer systems. Approximate spatial reasoning is very important for intelligent mobile agents (e.g., robots), specially for those operating in uncertain or unknown or dynamic domains.

  13. Application of the hampel's method to approximate a theoretical model of the cooling tower in the two-dimensional approach. (Polish Title: Zastosowanie metody Hampela do aproksymacji modelu teoretycznego chłodni kominowej w podejściu dwuwymiarowym)

    NASA Astrophysics Data System (ADS)

    Muszyński, Z.

    2013-12-01

    Correct assessment of construction safety requires reliable information about geometrical shape of the analyzed object. The least square method is the most popular method to calculate object deviation between theoretical geometry and the real object shape measured with geodetic methods. The paper presents the possibility of using robust estimation methods on the example of Hampel's method. Deviation values obtained in this way are resistant to outliers influence and are more reliable. This problem is illustrated by a hyperbola which is approximated in survey points (measured by terrestrial laser scanning) localized on the generating line of the cooling tower shell in one of its axial vertical cross-section.

  14. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

    NASA Astrophysics Data System (ADS)

    Zhang, Shen; Wang, Hongwei; Kang, Wei; Zhang, Ping; He, X. T.

    2016-04-01

    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.

  15. A Newton-Krylov method with approximate Jacobian for implicit solution of Navier-Stokes on staggered overset-curvilinear grids with immersed boundaries

    NASA Astrophysics Data System (ADS)

    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.

  16. The Guiding Center Approximation

    NASA Astrophysics Data System (ADS)

    Pedersen, Thomas Sunn

    The guiding center approximation for charged particles in strong magnetic fields is introduced here. This approximation is very useful in situations where the charged particles are very well magnetized, such that the gyration (Larmor) radius is small compared to relevant length scales of the confinement device, and the gyration is fast relative to relevant timescales in an experiment. The basics of motion in a straight, uniform, static magnetic field are reviewed, and are used as a starting point for analyzing more complicated situations where more forces are present, as well as inhomogeneities in the magnetic field -- magnetic curvature as well as gradients in the magnetic field strength. The first and second adiabatic invariant are introduced, and slowly time-varying fields are also covered. As an example of the use of the guiding center approximation, the confinement concept of the cylindrical magnetic mirror is analyzed.

  17. Monotone Boolean approximation

    SciTech Connect

    Hulme, B.L.

    1982-12-01

    This report presents a theory of approximation of arbitrary Boolean functions by simpler, monotone functions. Monotone increasing functions can be expressed without the use of complements. Nonconstant monotone increasing functions are important in their own right since they model a special class of systems known as coherent systems. It is shown here that when Boolean expressions for noncoherent systems become too large to treat exactly, then monotone approximations are easily defined. The algorithms proposed here not only provide simpler formulas but also produce best possible upper and lower monotone bounds for any Boolean function. This theory has practical application for the analysis of noncoherent fault trees and event tree sequences.

  18. Wavelet Sparse Approximate Inverse Preconditioners

    NASA Technical Reports Server (NTRS)

    Chan, Tony F.; Tang, W.-P.; Wan, W. L.

    1996-01-01

    There is an increasing interest in using sparse approximate inverses as preconditioners for Krylov subspace iterative methods. Recent studies of Grote and Huckle and Chow and Saad also show that sparse approximate inverse preconditioner can be effective for a variety of matrices, e.g. Harwell-Boeing collections. Nonetheless a drawback is that it requires rapid decay of the inverse entries so that sparse approximate inverse is possible. However, for the class of matrices that, come from elliptic PDE problems, this assumption may not necessarily hold. Our main idea is to look for a basis, other than the standard one, such that a sparse representation of the inverse is feasible. A crucial observation is that the kind of matrices we are interested in typically have a piecewise smooth inverse. We exploit this fact, by applying wavelet techniques to construct a better sparse approximate inverse in the wavelet basis. We shall justify theoretically and numerically that our approach is effective for matrices with smooth inverse. We emphasize that in this paper we have only presented the idea of wavelet approximate inverses and demonstrated its potential but have not yet developed a highly refined and efficient algorithm.

  19. Computer Experiments for Function Approximations

    SciTech Connect

    Chang, A; Izmailov, I; Rizzo, S; Wynter, S; Alexandrov, O; Tong, C

    2007-10-15

    This research project falls in the domain of response surface methodology, which seeks cost-effective ways to accurately fit an approximate function to experimental data. Modeling and computer simulation are essential tools in modern science and engineering. A computer simulation can be viewed as a function that receives input from a given parameter space and produces an output. Running the simulation repeatedly amounts to an equivalent number of function evaluations, and for complex models, such function evaluations can be very time-consuming. It is then of paramount importance to intelligently choose a relatively small set of sample points in the parameter space at which to evaluate the given function, and then use this information to construct a surrogate function that is close to the original function and takes little time to evaluate. This study was divided into two parts. The first part consisted of comparing four sampling methods and two function approximation methods in terms of efficiency and accuracy for simple test functions. The sampling methods used were Monte Carlo, Quasi-Random LP{sub {tau}}, Maximin Latin Hypercubes, and Orthogonal-Array-Based Latin Hypercubes. The function approximation methods utilized were Multivariate Adaptive Regression Splines (MARS) and Support Vector Machines (SVM). The second part of the study concerned adaptive sampling methods with a focus on creating useful sets of sample points specifically for monotonic functions, functions with a single minimum and functions with a bounded first derivative.

  20. Frequency dependent Qα and Qβ in the Umbria-Marche (Italy) region using a quadratic approximation of the coda-normalization method

    NASA Astrophysics Data System (ADS)

    de Lorenzo, Salvatore; Bianco, Francesca; Del Pezzo, Edoardo

    2013-06-01

    The coda normalization method is one of the most used methods in the inference of attenuation parameters Qα and Qβ. Since, in this method, the geometrical spreading exponent γ is an unknown model parameter, the most part of studies assumes a fixed γ, generally equal to 1. However γ and Q could be also jointly inferred from the non-linear inversion of coda-normalized logarithms of amplitudes, but the trade-off between γ and Q could give rise to unreasonable values of these parameters. To minimize the trade-off between γ and Q, an inversion method based on a parabolic expression of the coda-normalization equation has been developed. The method has been applied to the waveforms recorded during the 1997 Umbria-Marche seismic crisis. The Akaike criterion has been used to compare results of the parabolic model with those of the linear model, corresponding to γ = 1. A small deviation from the spherical geometrical spreading has been inferred, but this is accompanied by a significant variation of Qα and Qβ values. For almost all the considered stations, Qα smaller than Qβ has been inferred, confirming that seismic attenuation, in the Umbria-Marche region, is controlled by crustal pore fluids.

  1. Optimizing the Zeldovich approximation

    NASA Technical Reports Server (NTRS)

    Melott, Adrian L.; Pellman, Todd F.; Shandarin, Sergei F.

    1994-01-01

    We have recently learned that the Zeldovich approximation can be successfully used for a far wider range of gravitational instability scenarios than formerly proposed; we study here how to extend this range. In previous work (Coles, Melott and Shandarin 1993, hereafter CMS) we studied the accuracy of several analytic approximations to gravitational clustering in the mildly nonlinear regime. We found that what we called the 'truncated Zeldovich approximation' (TZA) was better than any other (except in one case the ordinary Zeldovich approximation) over a wide range from linear to mildly nonlinear (sigma approximately 3) regimes. TZA was specified by setting Fourier amplitudes equal to zero for all wavenumbers greater than k(sub nl), where k(sub nl) marks the transition to the nonlinear regime. Here, we study the cross correlation of generalized TZA with a group of n-body simulations for three shapes of window function: sharp k-truncation (as in CMS), a tophat in coordinate space, or a Gaussian. We also study the variation in the crosscorrelation as a function of initial truncation scale within each type. We find that k-truncation, which was so much better than other things tried in CMS, is the worst of these three window shapes. We find that a Gaussian window e(exp(-k(exp 2)/2k(exp 2, sub G))) applied to the initial Fourier amplitudes is the best choice. It produces a greatly improved crosscorrelation in those cases which most needed improvement, e.g. those with more small-scale power in the initial conditions. The optimum choice of kG for the Gaussian window is (a somewhat spectrum-dependent) 1 to 1.5 times k(sub nl). Although all three windows produce similar power spectra and density distribution functions after application of the Zeldovich approximation, the agreement of the phases of the Fourier components with the n-body simulation is better for the Gaussian window. We therefore ascribe the success of the best-choice Gaussian window to its superior treatment

  2. Decoupling electrons and nuclei without the Born-Oppenheimer approximation: The electron-nucleus mean-field configuration-interaction method

    NASA Astrophysics Data System (ADS)

    Cassam-Chenaï, Patrick; Suo, Bingbing; Liu, Wenjian

    2015-07-01

    We introduce the electron-nucleus mean-field configuration-interaction (EN-MFCI) approach. It consists in building an effective Hamiltonian for the electrons taking into account a mean field due to the nuclear motion and, conversely, in building an effective Hamiltonian for the nuclear motion taking into account a mean field due to the electrons. The eigenvalue problems of these Hamiltonians are solved in basis sets giving partial eigensolutions for the active degrees of freedom (DOF's), that is to say, either for the electrons or for nuclear motion. The process can be iterated or electron and nuclear motion DOF's can be contracted in a CI calculation. In the EN-MFCI reduction of the molecular Schrödinger equation to an electronic and a nuclear problem, the electronic wave functions do not depend parametrically upon nuclear coordinates. So, it is different from traditional adiabatic methods. Furthermore, when contracting electronic and nuclear functions, a direct product basis set is built in contrast with methods which treat electrons and nuclei on the same footing, but where electron-nucleus explicitly correlated coordinates are used. Also, the EN-MFCI approach can make use of the partition of molecular DOF's into translational, rotational, and internal DOF's. As a result, there is no need to eliminate translations and rotations from the calculation, and the convergence of vibrational levels is facilitated by the use of appropriate internal coordinates. The method is illustrated on diatomic molecules.

  3. The Coupled Spectral Element/Normal Mode Method: Application to the Testing of Several Approximations Based on Normal Mode Theory for the Computation of Seismograms in a Realistic 3D Earth.

    NASA Astrophysics Data System (ADS)

    Capdeville, Y.; Gung, Y.; Romanowicz, B.

    2002-12-01

    The spectral element method (SEM) has recently been adapted successfully for global spherical earth wave propagation applications. Its advantage is that it provides a way to compute exact seismograms in a 3D earth, without restrictions on the size or wavelength of lateral heterogeneity at any depth, and can handle diffraction and other interactions with major structural boundaries. Its disadvantage is that it is computationally heavy. In order to partly address this drawback, a coupled SEM/normal mode method was developed (Capdeville et al., 2000). This enables us to more efficiently compute bodywave seismograms to realistically short periods (10s or less). In particular, the coupled SEM/normal mode method is a powerful tool to test the validity of some analytical approximations that are currently used in global waveform tomography, and that are considerably faster computationally. Here, we focus on several approximations based on normal mode perturbation theory: the classical "path-average approximation" (PAVA) introduced by Woodhouse and Dziewonski (1984) and well suited for fundamental mode surface waves (1D sensitivity kernels); the non-linear asymptotic coupling theory (NACT), which introduces coupling between mode branches and 2D kernels in the vertical plane containing the source and the receiver (Li and Tanimoto, 1993; Li and Romanowicz, 1995); an extension of NACT which includes out of plane focusing terms computed asymptotically (e.g. Romanowicz, 1987) and introduces 3D kernels; we also consider first order perturbation theory without asymptotic approximations, such as developed for example by Dahlen et al. (2000). We present the results of comparisons of realistic seismograms for different models of heterogeneity, varying the strength and sharpness of the heterogeneity and its location in depth in the mantle. We discuss the consequences of different levels of approximations on our ability to resolve 3D heterogeneity in the earth's mantle.

  4. Comparison of cross sections from the quasi-classical trajectory method and the j(z)-conserving centrifugal sudden approximation with accurate quantum results for an atom-rigid nonlinear polyatomic collision

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.

    1993-01-01

    We report the results of a series of calculations of state-to-state integral cross sections for collisions between O and nonvibrating H2O in the gas phase on a model nonreactive potential energy surface. The dynamical methods used include converged quantum mechanical scattering calculations, the j(z) conserving centrifugal sudden (j(z)-CCS) approximation, and quasi-classical trajectory (QCT) calculations. We consider three total energies 0.001, 0.002, and 0.005 E(h) and the nine initial states with rotational angular momentum less than or equal to 2 (h/2 pi). The j(z)-CCS approximation gives good results, while the QCT method can be quite unreliable for transitions to specific rotational sublevels. However, the QCT cross sections summed over final sublevels and averaged over initial sublevels are in better agreement with the quantum results.

  5. The {sup 2}H(d,p){sup 3}H Reaction At Astrophysical Energies Studied Via The Trojan Horse Method And Pole Approximation Validity Test

    SciTech Connect

    Sparta, R.; Pizzone, R. G.; Spitaleri, C.; Cherubini, S.; Crucilla, V.; Gulino, M.; La Cognata, M.; Lamia, L.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Aliotta, M.; Burjan, V.; Hons, Z.; Kroha, V.; Mrazek, J.; Kiss, G.; McCleskey, M.; Trache, L.

    2010-03-01

    In order to understand primordial and stellar nucleosynthesis, we have studied {sup 2}H(d,p){sup 3}H reaction at 0, 4 MeV down to astrophysical energies. Knowledge of this S-factor is interesting also to plan reactions for fusion reactors to produce energy. {sup 2}H(d,p){sup 3}H has been studied through the Trojan Horse Method applied to the three-body reaction {sup 2}H({sup 3}He,pt)H, at a beam energy of 17 MeV. Once protons and tritons are detected in coincidence and the quasi-free events are selected, the obtained S-factor has been compared with direct reactions results. Such data are in agreement with the direct ones, and a pole invariance test has been obtained comparing the present result with another {sup 2}H(d,p){sup 3}H THM one, performed with a different spectator particle (see fig. 1).

  6. CranSLIK v2.0: improvements on the stochastic prediction of oil spill transport and fate using approximation methods

    NASA Astrophysics Data System (ADS)

    Rutherford, R.; Moulitsas, I.; Snow, B. J.; Kolios, A. J.; De Dominicis, M.

    2015-06-01

    Oil spill models are used to forecast the transport and fate of oil after it has been released. CranSLIK is a model that predicts the movement and spread of a surface oil spill at sea via a stochastic approach. The aim of this work is to identify parameters that can further improve the forecasting algorithms and expand the functionality of CranSLIK, while maintaining the run time efficiency of the method. The results from multiple simulations performed using the operational, validated oil spill model, MEDSLIK-II, were analysed using multiple regression in order to identify improvements which could be incorporated into CranSLIK. This has led to a revised model, namely CranSLIK v2.0, which was validated against MEDSLIK-II forecasts for real oil spill cases. The new version of CranSLIK demonstrated significant forecasting improvements by capturing the oil spill accurately in real validation cases and also proved capable of simulating a broader range of oil spill scenarios.

  7. Quantum tunneling beyond semiclassical approximation

    NASA Astrophysics Data System (ADS)

    Banerjee, Rabin; Ranjan Majhi, Bibhas

    2008-06-01

    Hawking radiation as tunneling by Hamilton-Jacobi method beyond semiclassical approximation is analysed. We compute all quantum corrections in the single particle action revealing that these are proportional to the usual semiclassical contribution. We show that a simple choice of the proportionality constants reproduces the one loop back reaction effect in the spacetime, found by conformal field theory methods, which modifies the Hawking temperature of the black hole. Using the law of black hole mechanics we give the corrections to the Bekenstein-Hawking area law following from the modified Hawking temperature. Some examples are explicitly worked out.

  8. Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model.

    PubMed

    Tuna, Deniz; Lefrancois, Daniel; Wolański, Łukasz; Gozem, Samer; Schapiro, Igor; Andruniów, Tadeusz; Dreuw, Andreas; Olivucci, Massimo

    2015-12-01

    As a minimal model of the chromophore of rhodopsin proteins, the penta-2,4-dieniminium cation (PSB3) poses a challenging test system for the assessment of electronic-structure methods for the exploration of ground- and excited-state potential-energy surfaces, the topography of conical intersections, and the dimensionality (topology) of the branching space. Herein, we report on the performance of the approximate linear-response coupled-cluster method of second order (CC2) and the algebraic-diagrammatic-construction scheme of the polarization propagator of second and third orders (ADC(2) and ADC(3)). For the ADC(2) method, we considered both the strict and extended variants (ADC(2)-s and ADC(2)-x). For both CC2 and ADC methods, we also tested the spin-component-scaled (SCS) and spin-opposite-scaled (SOS) variants. We have explored several ground- and excited-state reaction paths, a circular path centered around the S1/S0 surface crossing, and a 2D scan of the potential-energy surfaces along the branching space. We find that the CC2 and ADC methods yield a different dimensionality of the intersection space. While the ADC methods yield a linear intersection topology, we find a conical intersection topology for the CC2 method. We present computational evidence showing that the linear-response CC2 method yields a surface crossing between the reference state and the first response state featuring characteristics that are expected for a true conical intersection. Finally, we test the performance of these methods for the approximate geometry optimization of the S1/S0 minimum-energy conical intersection and compare the geometries with available data from multireference methods. The present study provides new insight into the performance of linear-response CC2 and polarization-propagator ADC methods for molecular electronic spectroscopy and applications in computational photochemistry. PMID:26642989

  9. Approximate Counting of Graphical Realizations

    PubMed Central

    2015-01-01

    In 1999 Kannan, Tetali and Vempala proposed a MCMC method to uniformly sample all possible realizations of a given graphical degree sequence and conjectured its rapidly mixing nature. Recently their conjecture was proved affirmative for regular graphs (by Cooper, Dyer and Greenhill, 2007), for regular directed graphs (by Greenhill, 2011) and for half-regular bipartite graphs (by Miklós, Erdős and Soukup, 2013). Several heuristics on counting the number of possible realizations exist (via sampling processes), and while they work well in practice, so far no approximation guarantees exist for such an approach. This paper is the first to develop a method for counting realizations with provable approximation guarantee. In fact, we solve a slightly more general problem; besides the graphical degree sequence a small set of forbidden edges is also given. We show that for the general problem (which contains the Greenhill problem and the Miklós, Erdős and Soukup problem as special cases) the derived MCMC process is rapidly mixing. Further, we show that this new problem is self-reducible therefore it provides a fully polynomial randomized approximation scheme (a.k.a. FPRAS) for counting of all realizations. PMID:26161994

  10. Approximate Counting of Graphical Realizations.

    PubMed

    Erdős, Péter L; Kiss, Sándor Z; Miklós, István; Soukup, Lajos

    2015-01-01

    In 1999 Kannan, Tetali and Vempala proposed a MCMC method to uniformly sample all possible realizations of a given graphical degree sequence and conjectured its rapidly mixing nature. Recently their conjecture was proved affirmative for regular graphs (by Cooper, Dyer and Greenhill, 2007), for regular directed graphs (by Greenhill, 2011) and for half-regular bipartite graphs (by Miklós, Erdős and Soukup, 2013). Several heuristics on counting the number of possible realizations exist (via sampling processes), and while they work well in practice, so far no approximation guarantees exist for such an approach. This paper is the first to develop a method for counting realizations with provable approximation guarantee. In fact, we solve a slightly more general problem; besides the graphical degree sequence a small set of forbidden edges is also given. We show that for the general problem (which contains the Greenhill problem and the Miklós, Erdős and Soukup problem as special cases) the derived MCMC process is rapidly mixing. Further, we show that this new problem is self-reducible therefore it provides a fully polynomial randomized approximation scheme (a.k.a. FPRAS) for counting of all realizations. PMID:26161994

  11. Repetition through Successive Approximations.

    ERIC Educational Resources Information Center

    Littell, Katherine M.

    This study was conducted in an attempt to provide an alternative to the long-established method of tape listening and repetition drills, a method that has had disappointing results. It is suggested that the rate of speed of phonic presentation is not commensurate with the rate of comprehension. The proposed method seeks to prevent cognitive…

  12. APPROXIMATE MULTIPHASE FLOW MODELING BY CHARACTERISTIC METHODS

    EPA Science Inventory

    The flow of petroleum hydrocarbons, organic solvents and other liquids that are immiscible with water presents the nation with some of the most difficult subsurface remediation problems. One aspect of contaminant transport associated releases of such liquids is the transport as a...

  13. Approximate Analysis of Semiconductor Laser Arrays

    NASA Technical Reports Server (NTRS)

    Marshall, William K.; Katz, Joseph

    1987-01-01

    Simplified equation yields useful information on gains and output patterns. Theoretical method based on approximate waveguide equation enables prediction of lateral modes of gain-guided planar array of parallel semiconductor lasers. Equation for entire array solved directly using piecewise approximation of index of refraction by simple functions without customary approximation based on coupled waveguid modes of individual lasers. Improved results yield better understanding of laser-array modes and help in development of well-behaved high-power semiconductor laser arrays.

  14. Countably QC-Approximating Posets

    PubMed Central

    Mao, Xuxin; Xu, Luoshan

    2014-01-01

    As a generalization of countably C-approximating posets, the concept of countably QC-approximating posets is introduced. With the countably QC-approximating property, some characterizations of generalized completely distributive lattices and generalized countably approximating posets are given. The main results are as follows: (1) a complete lattice is generalized completely distributive if and only if it is countably QC-approximating and weakly generalized countably approximating; (2) a poset L having countably directed joins is generalized countably approximating if and only if the lattice σc(L)op of all σ-Scott-closed subsets of L is weakly generalized countably approximating. PMID:25165730

  15. Fermion tunneling beyond semiclassical approximation

    NASA Astrophysics Data System (ADS)

    Majhi, Bibhas Ranjan

    2009-02-01

    Applying the Hamilton-Jacobi method beyond the semiclassical approximation prescribed in R. Banerjee and B. R. Majhi, J. High Energy Phys.JHEPFG1029-8479 06 (2008) 09510.1088/1126-6708/2008/06/095 for the scalar particle, Hawking radiation as tunneling of the Dirac particle through an event horizon is analyzed. We show that, as before, all quantum corrections in the single particle action are proportional to the usual semiclassical contribution. We also compute the modifications to the Hawking temperature and Bekenstein-Hawking entropy for the Schwarzschild black hole. Finally, the coefficient of the logarithmic correction to entropy is shown to be related with the trace anomaly.

  16. Approximate Bayesian multibody tracking.

    PubMed

    Lanz, Oswald

    2006-09-01

    Visual tracking of multiple targets is a challenging problem, especially when efficiency is an issue. Occlusions, if not properly handled, are a major source of failure. Solutions supporting principled occlusion reasoning have been proposed but are yet unpractical for online applications. This paper presents a new solution which effectively manages the trade-off between reliable modeling and computational efficiency. The Hybrid Joint-Separable (HJS) filter is derived from a joint Bayesian formulation of the problem, and shown to be efficient while optimal in terms of compact belief representation. Computational efficiency is achieved by employing a Markov random field approximation to joint dynamics and an incremental algorithm for posterior update with an appearance likelihood that implements a physically-based model of the occlusion process. A particle filter implementation is proposed which achieves accurate tracking during partial occlusions, while in cases of complete occlusion, tracking hypotheses are bound to estimated occlusion volumes. Experiments show that the proposed algorithm is efficient, robust, and able to resolve long-term occlusions between targets with identical appearance. PMID:16929730

  17. Inversion and approximation of Laplace transforms

    NASA Technical Reports Server (NTRS)

    Lear, W. M.

    1980-01-01

    A method of inverting Laplace transforms by using a set of orthonormal functions is reported. As a byproduct of the inversion, approximation of complicated Laplace transforms by a transform with a series of simple poles along the left half plane real axis is shown. The inversion and approximation process is simple enough to be put on a programmable hand calculator.

  18. An approximation for inverse Laplace transforms

    NASA Technical Reports Server (NTRS)

    Lear, W. M.

    1981-01-01

    Programmable calculator runs simple finite-series approximation for Laplace transform inversions. Utilizing family of orthonormal functions, approximation is used for wide range of transforms, including those encountered in feedback control problems. Method works well as long as F(t) decays to zero as it approaches infinity and so is appliable to most physical systems.

  19. Approximate Solutions Of Equations Of Steady Diffusion

    NASA Technical Reports Server (NTRS)

    Edmonds, Larry D.

    1992-01-01

    Rigorous analysis yields reliable criteria for "best-fit" functions. Improved "curve-fitting" method yields approximate solutions to differential equations of steady-state diffusion. Method applies to problems in which rates of diffusion depend linearly or nonlinearly on concentrations of diffusants, approximate solutions analytic or numerical, and boundary conditions of Dirichlet type, of Neumann type, or mixture of both types. Applied to equations for diffusion of charge carriers in semiconductors in which mobilities and lifetimes of charge carriers depend on concentrations.

  20. Alternative approximation concepts for space frame synthesis

    NASA Technical Reports Server (NTRS)

    Lust, R. V.; Schmit, L. A.

    1985-01-01

    A method for space frame synthesis based on the application of a full gamut of approximation concepts is presented. It is found that with the thoughtful selection of design space, objective function approximation, constraint approximation and mathematical programming problem formulation options it is possible to obtain near minimum mass designs for a significant class of space frame structural systems while requiring fewer than 10 structural analyses. Example problems are presented which demonstrate the effectiveness of the method for frame structures subjected to multiple static loading conditions with limits on structural stiffness and strength.

  1. Widths and Shifts of Isolated Lines of Neutral and Ionized Atoms Perturbed by Collisions With Electrons and Ions: An Outline of the Semiclassical Perturbation (SCP) Method and of the Approximations Used for the Calculations

    NASA Astrophysics Data System (ADS)

    Sahal-Bréchot, Sylvie; Dimitrijević, Milan; Nessib, Nabil

    2014-06-01

    "Stark broadening" theory and calculations have been extensively developed for about 50 years. The theory can now be considered as mature for many applications, especially for accurate spectroscopic diagnostics and modeling, in astrophysics, laboratory plasma physics and technological plasmas, as well. This requires the knowledge of numerous collisional line profiles. In order to meet these needs, the "SCP" (semiclassical perturbation) method and numerical code were created and developed. The SCP code is now extensively used for the needs of spectroscopic diagnostics and modeling, and the results of the published calculations are displayed in the STARK-B database. The aim of the present paper is to introduce the main approximations leading to the impact of semiclassical perturbation method and to give formulae entering the numerical SCP code, in order to understand the validity conditions of the method and of the results; and also to understand some regularities and systematic trends. This would also allow one to compare the method and its results to those of other methods and codes.

  2. Approximation concepts for efficient structural synthesis

    NASA Technical Reports Server (NTRS)

    Schmit, L. A., Jr.; Miura, H.

    1976-01-01

    It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

  3. Adiabatic approximation for nucleus-nucleus scattering

    SciTech Connect

    Johnson, R.C.

    2005-10-14

    Adiabatic approximations to few-body models of nuclear scattering are described with emphasis on reactions with deuterons and halo nuclei (frozen halo approximation) as projectiles. The different ways the approximation should be implemented in a consistent theory of elastic scattering, stripping and break-up are explained and the conditions for the theory's validity are briefly discussed. A formalism which links few-body models and the underlying many-body system is outlined and the connection between the adiabatic and CDCC methods is reviewed.

  4. Approximate Bruechner orbitals in electron propagator calculations

    SciTech Connect

    Ortiz, J.V.

    1999-12-01

    Orbitals and ground-state correlation amplitudes from the so-called Brueckner doubles approximation of coupled-cluster theory provide a useful reference state for electron propagator calculations. An operator manifold with hold, particle, two-hole-one-particle and two-particle-one-hole components is chosen. The resulting approximation, third-order algebraic diagrammatic construction [2ph-TDA, ADC (3)] and 3+ methods. The enhanced versatility of this approximation is demonstrated through calculations on valence ionization energies, core ionization energies, electron detachment energies of anions, and on a molecule with partial biradical character, ozone.

  5. Unsteady aerodynamics in time and frequency domains for finite time arbitrary motion of rotary wings in hover and forward flight

    NASA Technical Reports Server (NTRS)

    Dinyavari, M. A. H.; Friedmann, P. P.

    1984-01-01

    Several incompressible finite-time arbitrary-motion airfoil theories suitable for coupled flap-lag-torsional aeroelastic analysis of helicopter rotors in hover and forward flight are derived. These theories include generalized Greenberg's theory, generalized Loewy's theory, and a staggered cascade theory. The generalized Greenberg's and staggered cascade theories were derived directly in Laplace domain considering the finite length of the wake and using operational methods. The load expressions are presented in Laplace, frequency, and time domains. Approximate time domain loads for the various generalized theories, discussed in the paper, are obtained by developing finite state models using the Pade approximant of the appropriate lift deficiency functions. Three different methods for constructing Pade approximants of the lift deficiency functions were considered and the more flexible one was used. Pade approximants of Loewy's lift deficiency function, for various wake spacing and radial location parameters of a helicopter typical rotor blade section, are presented.

  6. Separable approximations of two-body interactions

    NASA Astrophysics Data System (ADS)

    Haidenbauer, J.; Plessas, W.

    1983-01-01

    We perform a critical discussion of the efficiency of the Ernst-Shakin-Thaler method for a separable approximation of arbitrary two-body interactions by a careful examination of separable 3S1-3D1 N-N potentials that were constructed via this method by Pieper. Not only the on-shell properties of these potentials are considered, but also a comparison is made of their off-shell characteristics relative to the Reid soft-core potential. We point out a peculiarity in Pieper's application of the Ernst-Shakin-Thaler method, which leads to a resonant-like behavior of his potential 3SD1D. It is indicated where care has to be taken in order to circumvent drawbacks inherent in the Ernst-Shakin-Thaler separable approximation scheme. NUCLEAR REACTIONS Critical discussion of the Ernst-Shakin-Thaler separable approximation method. Pieper's separable N-N potentials examined on shell and off shell.

  7. Multidimensional stochastic approximation Monte Carlo.

    PubMed

    Zablotskiy, Sergey V; Ivanov, Victor A; Paul, Wolfgang

    2016-06-01

    Stochastic Approximation Monte Carlo (SAMC) has been established as a mathematically founded powerful flat-histogram Monte Carlo method, used to determine the density of states, g(E), of a model system. We show here how it can be generalized for the determination of multidimensional probability distributions (or equivalently densities of states) of macroscopic or mesoscopic variables defined on the space of microstates of a statistical mechanical system. This establishes this method as a systematic way for coarse graining a model system, or, in other words, for performing a renormalization group step on a model. We discuss the formulation of the Kadanoff block spin transformation and the coarse-graining procedure for polymer models in this language. We also apply it to a standard case in the literature of two-dimensional densities of states, where two competing energetic effects are present g(E_{1},E_{2}). We show when and why care has to be exercised when obtaining the microcanonical density of states g(E_{1}+E_{2}) from g(E_{1},E_{2}). PMID:27415383

  8. Multidimensional stochastic approximation Monte Carlo

    NASA Astrophysics Data System (ADS)

    Zablotskiy, Sergey V.; Ivanov, Victor A.; Paul, Wolfgang

    2016-06-01

    Stochastic Approximation Monte Carlo (SAMC) has been established as a mathematically founded powerful flat-histogram Monte Carlo method, used to determine the density of states, g (E ) , of a model system. We show here how it can be generalized for the determination of multidimensional probability distributions (or equivalently densities of states) of macroscopic or mesoscopic variables defined on the space of microstates of a statistical mechanical system. This establishes this method as a systematic way for coarse graining a model system, or, in other words, for performing a renormalization group step on a model. We discuss the formulation of the Kadanoff block spin transformation and the coarse-graining procedure for polymer models in this language. We also apply it to a standard case in the literature of two-dimensional densities of states, where two competing energetic effects are present g (E1,E2) . We show when and why care has to be exercised when obtaining the microcanonical density of states g (E1+E2) from g (E1,E2) .

  9. Cavity approximation for graphical models.

    PubMed

    Rizzo, T; Wemmenhove, B; Kappen, H J

    2007-07-01

    We reformulate the cavity approximation (CA), a class of algorithms recently introduced for improving the Bethe approximation estimates of marginals in graphical models. In our formulation, which allows for the treatment of multivalued variables, a further generalization to factor graphs with arbitrary order of interaction factors is explicitly carried out, and a message passing algorithm that implements the first order correction to the Bethe approximation is described. Furthermore, we investigate an implementation of the CA for pairwise interactions. In all cases considered we could confirm that CA[k] with increasing k provides a sequence of approximations of markedly increasing precision. Furthermore, in some cases we could also confirm the general expectation that the approximation of order k , whose computational complexity is O(N(k+1)) has an error that scales as 1/N(k+1) with the size of the system. We discuss the relation between this approach and some recent developments in the field. PMID:17677405

  10. Approximate circuits for increased reliability

    SciTech Connect

    Hamlet, Jason R.; Mayo, Jackson R.

    2015-08-18

    Embodiments of the invention describe a Boolean circuit having a voter circuit and a plurality of approximate circuits each based, at least in part, on a reference circuit. The approximate circuits are each to generate one or more output signals based on values of received input signals. The voter circuit is to receive the one or more output signals generated by each of the approximate circuits, and is to output one or more signals corresponding to a majority value of the received signals. At least some of the approximate circuits are to generate an output value different than the reference circuit for one or more input signal values; however, for each possible input signal value, the majority values of the one or more output signals generated by the approximate circuits and received by the voter circuit correspond to output signal result values of the reference circuit.

  11. Approximate circuits for increased reliability

    SciTech Connect

    Hamlet, Jason R.; Mayo, Jackson R.

    2015-12-22

    Embodiments of the invention describe a Boolean circuit having a voter circuit and a plurality of approximate circuits each based, at least in part, on a reference circuit. The approximate circuits are each to generate one or more output signals based on values of received input signals. The voter circuit is to receive the one or more output signals generated by each of the approximate circuits, and is to output one or more signals corresponding to a majority value of the received signals. At least some of the approximate circuits are to generate an output value different than the reference circuit for one or more input signal values; however, for each possible input signal value, the majority values of the one or more output signals generated by the approximate circuits and received by the voter circuit correspond to output signal result values of the reference circuit.

  12. [Diagnostics of approximal caries - literature review].

    PubMed

    Berczyński, Paweł; Gmerek, Anna; Buczkowska-Radlińska, Jadwiga

    2015-01-01

    The most important issue in modern cariology is the early diagnostics of carious lesions, because only early detected lesions can be treated with as little intervention as possible. This is extremely difficult on approximal surfaces because of their anatomy, late onset of pain, and very few clinical symptoms. Modern diagnostic methods make dentists' everyday work easier, often detecting lesions unseen during visual examination. This work presents a review of the literature on the subject of modern diagnostic methods that can be used to detect approximal caries. PMID:27344873

  13. Approximate convective heating equations for hypersonic flows

    NASA Technical Reports Server (NTRS)

    Zoby, E. V.; Moss, J. N.; Sutton, K.

    1979-01-01

    Laminar and turbulent heating-rate equations appropriate for engineering predictions of the convective heating rates about blunt reentry spacecraft at hypersonic conditions are developed. The approximate methods are applicable to both nonreacting and reacting gas mixtures for either constant or variable-entropy edge conditions. A procedure which accounts for variable-entropy effects and is not based on mass balancing is presented. Results of the approximate heating methods are in good agreement with existing experimental results as well as boundary-layer and viscous-shock-layer solutions.

  14. Approximate solutions of the hyperbolic Kepler equation

    NASA Astrophysics Data System (ADS)

    Avendano, Martín; Martín-Molina, Verónica; Ortigas-Galindo, Jorge

    2015-12-01

    We provide an approximate zero widetilde{S}(g,L) for the hyperbolic Kepler's equation S-g {{arcsinh}}(S)-L=0 for gin (0,1) and Lin [0,∞ ). We prove, by using Smale's α -theory, that Newton's method starting at our approximate zero produces a sequence that converges to the actual solution S( g, L) at quadratic speed, i.e. if S_n is the value obtained after n iterations, then |S_n-S|≤ 0.5^{2^n-1}|widetilde{S}-S|. The approximate zero widetilde{S}(g,L) is a piecewise-defined function involving several linear expressions and one with cubic and square roots. In bounded regions of (0,1) × [0,∞ ) that exclude a small neighborhood of g=1, L=0, we also provide a method to construct simpler starters involving only constants.

  15. Faddeev random-phase approximation for molecules

    SciTech Connect

    Degroote, Matthias; Van Neck, Dimitri; Barbieri, Carlo

    2011-04-15

    The Faddeev random-phase approximation is a Green's function technique that makes use of Faddeev equations to couple the motion of a single electron to the two-particle-one-hole and two-hole-one-particle excitations. This method goes beyond the frequently used third-order algebraic diagrammatic construction method: all diagrams involving the exchange of phonons in the particle-hole and particle-particle channel are retained, but the phonons are now described at the level of the random-phase approximation, which includes ground-state correlations, rather than at the Tamm-Dancoff approximation level, where ground-state correlations are excluded. Previously applied to atoms, this paper presents results for small molecules at equilibrium geometry.

  16. Mathematical algorithms for approximate reasoning

    NASA Technical Reports Server (NTRS)

    Murphy, John H.; Chay, Seung C.; Downs, Mary M.

    1988-01-01

    Most state of the art expert system environments contain a single and often ad hoc strategy for approximate reasoning. Some environments provide facilities to program the approximate reasoning algorithms. However, the next generation of expert systems should have an environment which contain a choice of several mathematical algorithms for approximate reasoning. To meet the need for validatable and verifiable coding, the expert system environment must no longer depend upon ad hoc reasoning techniques but instead must include mathematically rigorous techniques for approximate reasoning. Popular approximate reasoning techniques are reviewed, including: certainty factors, belief measures, Bayesian probabilities, fuzzy logic, and Shafer-Dempster techniques for reasoning. A group of mathematically rigorous algorithms for approximate reasoning are focused on that could form the basis of a next generation expert system environment. These algorithms are based upon the axioms of set theory and probability theory. To separate these algorithms for approximate reasoning various conditions of mutual exclusivity and independence are imposed upon the assertions. Approximate reasoning algorithms presented include: reasoning with statistically independent assertions, reasoning with mutually exclusive assertions, reasoning with assertions that exhibit minimum overlay within the state space, reasoning with assertions that exhibit maximum overlay within the state space (i.e. fuzzy logic), pessimistic reasoning (i.e. worst case analysis), optimistic reasoning (i.e. best case analysis), and reasoning with assertions with absolutely no knowledge of the possible dependency among the assertions. A robust environment for expert system construction should include the two modes of inference: modus ponens and modus tollens. Modus ponens inference is based upon reasoning towards the conclusion in a statement of logical implication, whereas modus tollens inference is based upon reasoning away

  17. Approximating random quantum optimization problems

    NASA Astrophysics Data System (ADS)

    Hsu, B.; Laumann, C. R.; Läuchli, A. M.; Moessner, R.; Sondhi, S. L.

    2013-06-01

    We report a cluster of results regarding the difficulty of finding approximate ground states to typical instances of the quantum satisfiability problem k-body quantum satisfiability (k-QSAT) on large random graphs. As an approximation strategy, we optimize the solution space over “classical” product states, which in turn introduces a novel autonomous classical optimization problem, PSAT, over a space of continuous degrees of freedom rather than discrete bits. Our central results are (i) the derivation of a set of bounds and approximations in various limits of the problem, several of which we believe may be amenable to a rigorous treatment; (ii) a demonstration that an approximation based on a greedy algorithm borrowed from the study of frustrated magnetism performs well over a wide range in parameter space, and its performance reflects the structure of the solution space of random k-QSAT. Simulated annealing exhibits metastability in similar “hard” regions of parameter space; and (iii) a generalization of belief propagation algorithms introduced for classical problems to the case of continuous spins. This yields both approximate solutions, as well as insights into the free energy “landscape” of the approximation problem, including a so-called dynamical transition near the satisfiability threshold. Taken together, these results allow us to elucidate the phase diagram of random k-QSAT in a two-dimensional energy-density-clause-density space.

  18. Padé approximations and diophantine geometry

    PubMed Central

    Chudnovsky, D. V.; Chudnovsky, G. V.

    1985-01-01

    Using methods of Padé approximations we prove a converse to Eisenstein's theorem on the boundedness of denominators of coefficients in the expansion of an algebraic function, for classes of functions, parametrized by meromorphic functions. This result is applied to the Tate conjecture on the effective description of isogenies for elliptic curves. PMID:16593552

  19. Parameter Choices for Approximation by Harmonic Splines

    NASA Astrophysics Data System (ADS)

    Gutting, Martin

    2016-04-01

    The approximation by harmonic trial functions allows the construction of the solution of boundary value problems in geoscience, e.g., in terms of harmonic splines. Due to their localizing properties regional modeling or the improvement of a global model in a part of the Earth's surface is possible with splines. Fast multipole methods have been developed for some cases of the occurring kernels to obtain a fast matrix-vector multiplication. The main idea of the fast multipole algorithm consists of a hierarchical decomposition of the computational domain into cubes and a kernel approximation for the more distant points. This reduces the numerical effort of the matrix-vector multiplication from quadratic to linear in reference to the number of points for a prescribed accuracy of the kernel approximation. The application of the fast multipole method to spline approximation which also allows the treatment of noisy data requires the choice of a smoothing parameter. We investigate different methods to (ideally automatically) choose this parameter with and without prior knowledge of the noise level. Thereby, the performance of these methods is considered for different types of noise in a large simulation study. Applications to gravitational field modeling are presented as well as the extension to boundary value problems where the boundary is the known surface of the Earth itself.

  20. Approximation and compression with sparse orthonormal transforms.

    PubMed

    Sezer, Osman Gokhan; Guleryuz, Onur G; Altunbasak, Yucel

    2015-08-01

    We propose a new transform design method that targets the generation of compression-optimized transforms for next-generation multimedia applications. The fundamental idea behind transform compression is to exploit regularity within signals such that redundancy is minimized subject to a fidelity cost. Multimedia signals, in particular images and video, are well known to contain a diverse set of localized structures, leading to many different types of regularity and to nonstationary signal statistics. The proposed method designs sparse orthonormal transforms (SOTs) that automatically exploit regularity over different signal structures and provides an adaptation method that determines the best representation over localized regions. Unlike earlier work that is motivated by linear approximation constructs and model-based designs that are limited to specific types of signal regularity, our work uses general nonlinear approximation ideas and a data-driven setup to significantly broaden its reach. We show that our SOT designs provide a safe and principled extension of the Karhunen-Loeve transform (KLT) by reducing to the KLT on Gaussian processes and by automatically exploiting non-Gaussian statistics to significantly improve over the KLT on more general processes. We provide an algebraic optimization framework that generates optimized designs for any desired transform structure (multiresolution, block, lapped, and so on) with significantly better n -term approximation performance. For each structure, we propose a new prototype codec and test over a database of images. Simulation results show consistent increase in compression and approximation performance compared with conventional methods. PMID:25823033

  1. Quickly Approximating the Distance Between Two Objects

    NASA Technical Reports Server (NTRS)

    Hammen, David

    2009-01-01

    A method of quickly approximating the distance between two objects (one smaller, regarded as a point; the other larger and complexly shaped) has been devised for use in computationally simulating motions of the objects for the purpose of planning the motions to prevent collisions.

  2. An asymptotic homogenized neutron diffusion approximation. II. Numerical comparisons

    SciTech Connect

    Trahan, T. J.; Larsen, E. W.

    2012-07-01

    In a companion paper, a monoenergetic, homogenized, anisotropic diffusion equation is derived asymptotically for large, 3-D, multiplying systems with a periodic lattice structure [1]. In the present paper, this approximation is briefly compared to several other well known diffusion approximations. Although the derivation is different, the asymptotic diffusion approximation matches that proposed by Deniz and Gelbard, and is closely related to those proposed by Benoist. The focus of this paper, however, is a numerical comparison of the various methods for simple reactor analysis problems in 1-D. The comparisons show that the asymptotic diffusion approximation provides a more accurate estimate of the eigenvalue than the Benoist diffusion approximations. However, the Benoist diffusion approximations and the asymptotic diffusion approximation provide very similar estimates of the neutron flux. The asymptotic method and the Benoist methods both outperform the standard homogenized diffusion approximation, with flux weighted cross sections. (authors)

  3. Private Medical Record Linkage with Approximate Matching

    PubMed Central

    Durham, Elizabeth; Xue, Yuan; Kantarcioglu, Murat; Malin, Bradley

    2010-01-01

    Federal regulations require patient data to be shared for reuse in a de-identified manner. However, disparate providers often share data on overlapping populations, such that a patient’s record may be duplicated or fragmented in the de-identified repository. To perform unbiased statistical analysis in a de-identified setting, it is crucial to integrate records that correspond to the same patient. Private record linkage techniques have been developed, but most methods are based on encryption and preclude the ability to determine similarity, decreasing the accuracy of record linkage. The goal of this research is to integrate a private string comparison method that uses Bloom filters to provide an approximate match, with a medical record linkage algorithm. We evaluate the approach with 100,000 patients’ identifiers and demographics from the Vanderbilt University Medical Center. We demonstrate that the private approximation method achieves sensitivity that is, on average, 3% higher than previous methods. PMID:21346965

  4. Congruence Approximations for Entrophy Endowed Hyperbolic Systems

    NASA Technical Reports Server (NTRS)

    Barth, Timothy J.; Saini, Subhash (Technical Monitor)

    1998-01-01

    Building upon the standard symmetrization theory for hyperbolic systems of conservation laws, congruence properties of the symmetrized system are explored. These congruence properties suggest variants of several stabilized numerical discretization procedures for hyperbolic equations (upwind finite-volume, Galerkin least-squares, discontinuous Galerkin) that benefit computationally from congruence approximation. Specifically, it becomes straightforward to construct the spatial discretization and Jacobian linearization for these schemes (given a small amount of derivative information) for possible use in Newton's method, discrete optimization, homotopy algorithms, etc. Some examples will be given for the compressible Euler equations and the nonrelativistic MHD equations using linear and quadratic spatial approximation.

  5. Approximate entropy of network parameters.

    PubMed

    West, James; Lacasa, Lucas; Severini, Simone; Teschendorff, Andrew

    2012-04-01

    We study the notion of approximate entropy within the framework of network theory. Approximate entropy is an uncertainty measure originally proposed in the context of dynamical systems and time series. We first define a purely structural entropy obtained by computing the approximate entropy of the so-called slide sequence. This is a surrogate of the degree sequence and it is suggested by the frequency partition of a graph. We examine this quantity for standard scale-free and Erdös-Rényi networks. By using classical results of Pincus, we show that our entropy measure often converges with network size to a certain binary Shannon entropy. As a second step, with specific attention to networks generated by dynamical processes, we investigate approximate entropy of horizontal visibility graphs. Visibility graphs allow us to naturally associate with a network the notion of temporal correlations, therefore providing the measure a dynamical garment. We show that approximate entropy distinguishes visibility graphs generated by processes with different complexity. The result probes to a greater extent these networks for the study of dynamical systems. Applications to certain biological data arising in cancer genomics are finally considered in the light of both approaches. PMID:22680542

  6. Approximate entropy of network parameters

    NASA Astrophysics Data System (ADS)

    West, James; Lacasa, Lucas; Severini, Simone; Teschendorff, Andrew

    2012-04-01

    We study the notion of approximate entropy within the framework of network theory. Approximate entropy is an uncertainty measure originally proposed in the context of dynamical systems and time series. We first define a purely structural entropy obtained by computing the approximate entropy of the so-called slide sequence. This is a surrogate of the degree sequence and it is suggested by the frequency partition of a graph. We examine this quantity for standard scale-free and Erdös-Rényi networks. By using classical results of Pincus, we show that our entropy measure often converges with network size to a certain binary Shannon entropy. As a second step, with specific attention to networks generated by dynamical processes, we investigate approximate entropy of horizontal visibility graphs. Visibility graphs allow us to naturally associate with a network the notion of temporal correlations, therefore providing the measure a dynamical garment. We show that approximate entropy distinguishes visibility graphs generated by processes with different complexity. The result probes to a greater extent these networks for the study of dynamical systems. Applications to certain biological data arising in cancer genomics are finally considered in the light of both approaches.

  7. Relativistic regular approximations revisited: An infinite-order relativistic approximation

    SciTech Connect

    Dyall, K.G.; van Lenthe, E.

    1999-07-01

    The concept of the regular approximation is presented as the neglect of the energy dependence of the exact Foldy{endash}Wouthuysen transformation of the Dirac Hamiltonian. Expansion of the normalization terms leads immediately to the zeroth-order regular approximation (ZORA) and first-order regular approximation (FORA) Hamiltonians as the zeroth- and first-order terms of the expansion. The expansion may be taken to infinite order by using an un-normalized Foldy{endash}Wouthuysen transformation, which results in the ZORA Hamiltonian and a nonunit metric. This infinite-order regular approximation, IORA, has eigenvalues which differ from the Dirac eigenvalues by order E{sup 3}/c{sup 4} for a hydrogen-like system, which is a considerable improvement over the ZORA eigenvalues, and similar to the nonvariational FORA energies. A further perturbation analysis yields a third-order correction to the IORA energies, TIORA. Results are presented for several systems including the neutral U atom. The IORA eigenvalues for all but the 1s spinor of the neutral system are superior even to the scaled ZORA energies, which are exact for the hydrogenic system. The third-order correction reduces the IORA error for the inner orbitals to a very small fraction of the Dirac eigenvalue. {copyright} {ital 1999 American Institute of Physics.}

  8. Efficient computational methods for electromagnetic imaging with applications to 3D magnetotellurics

    NASA Astrophysics Data System (ADS)

    Kordy, Michal Adam

    The motivation for this work is the forward and inverse problem for magnetotellurics, a frequency domain electromagnetic remote-sensing geophysical method used in mineral, geothermal, and groundwater exploration. The dissertation consists of four papers. In the first paper, we prove the existence and uniqueness of a representation of any vector field in H(curl) by a vector lying in H(curl) and H(div). It allows us to represent electric or magnetic fields by another vector field, for which nodal finite element approximation may be used in the case of non-constant electromagnetic properties. With this approach, the system matrix does not become ill-posed for low-frequency. In the second paper, we consider hexahedral finite element approximation of an electric field for the magnetotelluric forward problem. The near-null space of the system matrix for low frequencies makes the numerical solution unstable in the air. We show that the proper solution may obtained by applying a correction on the null space of the curl. It is done by solving a Poisson equation using discrete Helmholtz decomposition. We parallelize the forward code on multicore workstation with large RAM. In the next paper, we use the forward code in the inversion. Regularization of the inversion is done by using the second norm of the logarithm of conductivity. The data space Gauss-Newton approach allows for significant savings in memory and computational time. We show the efficiency of the method by considering a number of synthetic inversions and we apply it to real data collected in Cascade Mountains. The last paper considers a cross-frequency interpolation of the forward response as well as the Jacobian. We consider Pade approximation through model order reduction and rational Krylov subspace. The interpolating frequencies are chosen adaptively in order to minimize the maximum error of interpolation. Two error indicator functions are compared. We prove a theorem of almost always lucky failure in the

  9. On the Accuracy of the MINC approximation

    SciTech Connect

    Lai, C.H.; Pruess, K.; Bodvarsson, G.S.

    1986-02-01

    The method of ''multiple interacting continua'' is based on the assumption that changes in thermodynamic conditions of rock matrix blocks are primarily controlled by the distance from the nearest fracture. The accuracy of this assumption was evaluated for regularly shaped (cubic and rectangular) rock blocks with uniform initial conditions, which are subjected to a step change in boundary conditions on the surface. Our results show that pressures (or temperatures) predicted from the MINC approximation may deviate from the exact solutions by as much as 10 to 15% at certain points within the blocks. However, when fluid (or heat) flow rates are integrated over the entire block surface, MINC-approximation and exact solution agree to better than 1%. This indicates that the MINC approximation can accurately represent transient inter-porosity flow in fractured porous media, provided that matrix blocks are indeed subjected to nearly uniform boundary conditions at all times.

  10. The Cell Cycle Switch Computes Approximate Majority

    NASA Astrophysics Data System (ADS)

    Cardelli, Luca; Csikász-Nagy, Attila

    2012-09-01

    Both computational and biological systems have to make decisions about switching from one state to another. The `Approximate Majority' computational algorithm provides the asymptotically fastest way to reach a common decision by all members of a population between two possible outcomes, where the decision approximately matches the initial relative majority. The network that regulates the mitotic entry of the cell-cycle in eukaryotes also makes a decision before it induces early mitotic processes. Here we show that the switch from inactive to active forms of the mitosis promoting Cyclin Dependent Kinases is driven by a system that is related to both the structure and the dynamics of the Approximate Majority computation. We investigate the behavior of these two switches by deterministic, stochastic and probabilistic methods and show that the steady states and temporal dynamics of the two systems are similar and they are exchangeable as components of oscillatory networks.

  11. Applications of Laplace transform methods to airfoil motion and stability calculations

    NASA Technical Reports Server (NTRS)

    Edwards, J. W.

    1979-01-01

    This paper reviews the development of generalized unsteady aerodynamic theory and presents a derivation of the generalized Possio integral equation. Numerical calculations resolve questions concerning subsonic indicial lift functions and demonstrate the generation of Kutta waves at high values of reduced frequency, subsonic Mach number, or both. The use of rational function approximations of unsteady aerodynamic loads in aeroelastic stability calculations is reviewed, and a reformulation of the matrix Pade approximation technique is given. Numerical examples of flutter boundary calculations for a wing which is to be flight tested are given. Finally, a simplified aerodynamic model of transonic flow is used to study the stability of an airfoil exposed to supersonic and subsonic flow regions.

  12. Heat pipe transient response approximation

    NASA Astrophysics Data System (ADS)

    Reid, Robert S.

    2002-01-01

    A simple and concise routine that approximates the response of an alkali metal heat pipe to changes in evaporator heat transfer rate is described. This analytically based routine is compared with data from a cylindrical heat pipe with a crescent-annular wick that undergoes gradual (quasi-steady) transitions through the viscous and condenser boundary heat transfer limits. The sonic heat transfer limit can also be incorporated into this routine for heat pipes with more closely coupled condensers. The advantages and obvious limitations of this approach are discussed. For reference, a source code listing for the approximation appears at the end of this paper. .

  13. Difference equation state approximations for nonlinear hereditary control problems

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1984-01-01

    Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems. Previously announced in STAR as N83-33589

  14. Difference equation state approximations for nonlinear hereditary control problems

    NASA Technical Reports Server (NTRS)

    Rosen, I. G.

    1982-01-01

    Discrete approximation schemes for the solution of nonlinear hereditary control problems are constructed. The methods involve approximation by a sequence of optimal control problems in which the original infinite dimensional state equation has been approximated by a finite dimensional discrete difference equation. Convergence of the state approximations is argued using linear semigroup theory and is then used to demonstrate that solutions to the approximating optimal control problems in some sense approximate solutions to the original control problem. Two schemes, one based upon piecewise constant approximation, and the other involving spline functions are discussed. Numerical results are presented, analyzed and used to compare the schemes to other available approximation methods for the solution of hereditary control problems.

  15. Calculation of the water vapor line intensities for rotational transitions between high-excited energy levels

    NASA Astrophysics Data System (ADS)

    Egorov, O. V.; Voitsekhovskaya, O. K.; Kashirskii, D. E.

    2015-11-01

    The intensities of water vapor in the range of pure rotational transitions were calculated up to high quantum numbers (Jmax ~ 30 and Ka max ~ 25). The diagonalization of the effective rotational Hamiltonian, approximated by Pade-Borel method, is applied to obtain the eigenvectors. The centrifugal distortion perturbations in line intensities were taken into account by the traditional equations for matrix elements of the transformed dipole moment, including eight parameters, and previously developed by authors Pade approximant. Moreover, to conduct the calculations, the rotational wavefunctions of the symmetric rotor molecule were applied. The results were compared with the known theoretical data.

  16. Pythagorean Approximations and Continued Fractions

    ERIC Educational Resources Information Center

    Peralta, Javier

    2008-01-01

    In this article, we will show that the Pythagorean approximations of [the square root of] 2 coincide with those achieved in the 16th century by means of continued fractions. Assuming this fact and the known relation that connects the Fibonacci sequence with the golden section, we shall establish a procedure to obtain sequences of rational numbers…

  17. Chemical Laws, Idealization and Approximation

    NASA Astrophysics Data System (ADS)

    Tobin, Emma

    2013-07-01

    This paper examines the notion of laws in chemistry. Vihalemm ( Found Chem 5(1):7-22, 2003) argues that the laws of chemistry are fundamentally the same as the laws of physics they are all ceteris paribus laws which are true "in ideal conditions". In contrast, Scerri (2000) contends that the laws of chemistry are fundamentally different to the laws of physics, because they involve approximations. Christie ( Stud Hist Philos Sci 25:613-629, 1994) and Christie and Christie ( Of minds and molecules. Oxford University Press, New York, pp. 34-50, 2000) agree that the laws of chemistry are operationally different to the laws of physics, but claim that the distinction between exact and approximate laws is too simplistic to taxonomise them. Approximations in chemistry involve diverse kinds of activity and often what counts as a scientific law in chemistry is dictated by the context of its use in scientific practice. This paper addresses the question of what makes chemical laws distinctive independently of the separate question as to how they are related to the laws of physics. From an analysis of some candidate ceteris paribus laws in chemistry, this paper argues that there are two distinct kinds of ceteris paribus laws in chemistry; idealized and approximate chemical laws. Thus, while Christie ( Stud Hist Philos Sci 25:613-629, 1994) and Christie and Christie ( Of minds and molecules. Oxford University Press, New York, pp. 34--50, 2000) are correct to point out that the candidate generalisations in chemistry are diverse and heterogeneous, a distinction between idealizations and approximations can nevertheless be used to successfully taxonomise them.

  18. An adiabatic approximation for grain alignment theory

    NASA Astrophysics Data System (ADS)

    Roberge, W. G.

    1997-10-01

    The alignment of interstellar dust grains is described by the joint distribution function for certain `internal' and `external' variables, where the former describe the orientation of the axes of a grain with respect to its angular momentum, J, and the latter describe the orientation of J relative to the interstellar magnetic field. I show how the large disparity between the dynamical time-scales of the internal and external variables - which is typically 2-3 orders of magnitude - can be exploited to simplify calculations of the required distribution greatly. The method is based on an `adiabatic approximation' which closely resembles the Born-Oppenheimer approximation in quantum mechanics. The adiabatic approximation prescribes an analytic distribution function for the `fast' dynamical variables and a simplified Fokker-Planck equation for the `slow' variables which can be solved straightforwardly using various techniques. These solutions are accurate to O(epsilon), where epsilon is the ratio of the fast and slow dynamical time-scales. As a simple illustration of the method, I derive an analytic solution for the joint distribution established when Barnett relaxation acts in concert with gas damping. The statistics of the analytic solution agree with the results of laborious numerical calculations which do not exploit the adiabatic approximation.

  19. An Adiabatic Approximation for Grain Alignment Theory

    NASA Astrophysics Data System (ADS)

    Roberge, W. G.

    1997-12-01

    The alignment of interstellar dust grains is described by the joint distribution function for certain ``internal'' and ``external'' variables, where the former describe the orientation of a grain's axes with respect to its angular momentum, J, and the latter describe the orientation of J relative to the interstellar magnetic field. I show how the large disparity between the dynamical timescales of the internal and external variables--- which is typically 2--3 orders of magnitude--- can be exploited to greatly simplify calculations of the required distribution. The method is based on an ``adiabatic approximation'' which closely resembles the Born-Oppenheimer approximation in quantum mechanics. The adiabatic approximation prescribes an analytic distribution function for the ``fast'' dynamical variables and a simplified Fokker-Planck equation for the ``slow'' variables which can be solved straightforwardly using various techniques. These solutions are accurate to cal {O}(epsilon ), where epsilon is the ratio of the fast and slow dynamical timescales. As a simple illustration of the method, I derive an analytic solution for the joint distribution established when Barnett relaxation acts in concert with gas damping. The statistics of the analytic solution agree with the results of laborious numerical calculations which do not exploit the adiabatic approximation.

  20. An n log n Generalized Born Approximation.

    PubMed

    Anandakrishnan, Ramu; Daga, Mayank; Onufriev, Alexey V

    2011-03-01

    Molecular dynamics (MD) simulations based on the generalized Born (GB) model of implicit solvation offer a number of important advantages over the traditional explicit solvent based simulations. Yet, in MD simulations, the GB model has not been able to reach its full potential partly due to its computational cost, which scales as ∼n(2), where n is the number of solute atoms. We present here an ∼n log n approximation for the generalized Born (GB) implicit solvent model. The approximation is based on the hierarchical charge partitioning (HCP) method (Anandakrishnan and Onufriev J. Comput. Chem. 2010 , 31 , 691 - 706 ) previously developed and tested for electrostatic computations in gas-phase and distant dependent dielectric models. The HCP uses the natural organization of biomolecular structures to partition the structures into multiple hierarchical levels of components. The charge distribution for each of these components is approximated by a much smaller number of charges. The approximate charges are then used for computing electrostatic interactions with distant components, while the full set of atomic charges are used for nearby components. To apply the HCP concept to the GB model, we define the equivalent of the effective Born radius for components. The component effective Born radius is then used in GB computations for points that are distant from the component. This HCP approximation for GB (HCP-GB) is implemented in the open source MD software, NAB in AmberTools, and tested on a set of representative biomolecular structures ranging in size from 632 atoms to ∼3 million atoms. For this set of test structures, the HCP-GB method is 1.1-390 times faster than the GB computation without additional approximations (the reference GB computation), depending on the size of the structure. Similar to the spherical cutoff method with GB (cutoff-GB), which also scales as ∼n log n, the HCP-GB is relatively simple. However, for the structures considered here, we show

  1. Exponential Approximations Using Fourier Series Partial Sums

    NASA Technical Reports Server (NTRS)

    Banerjee, Nana S.; Geer, James F.

    1997-01-01

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

  2. Spline Approximation of Thin Shell Dynamics

    NASA Technical Reports Server (NTRS)

    delRosario, R. C. H.; Smith, R. C.

    1996-01-01

    A spline-based method for approximating thin shell dynamics is presented here. While the method is developed in the context of the Donnell-Mushtari thin shell equations, it can be easily extended to the Byrne-Flugge-Lur'ye equations or other models for shells of revolution as warranted by applications. The primary requirements for the method include accuracy, flexibility and efficiency in smart material applications. To accomplish this, the method was designed to be flexible with regard to boundary conditions, material nonhomogeneities due to sensors and actuators, and inputs from smart material actuators such as piezoceramic patches. The accuracy of the method was also of primary concern, both to guarantee full resolution of structural dynamics and to facilitate the development of PDE-based controllers which ultimately require real-time implementation. Several numerical examples provide initial evidence demonstrating the efficacy of the method.

  3. One sign ion mobile approximation

    NASA Astrophysics Data System (ADS)

    Barbero, G.

    2011-12-01

    The electrical response of an electrolytic cell to an external excitation is discussed in the simple case where only one group of positive and negative ions is present. The particular case where the diffusion coefficients of the negative ions, Dm, is very small with respect to that of the positive ions, Dp, is considered. In this framework, it is discussed under what conditions the one mobile approximation, in which the negative ions are assumed fixed, works well. The analysis is performed by assuming that the external excitation is sinusoidal with circular frequency ω, as that used in the impedance spectroscopy technique. In this framework, we show that there exists a circular frequency, ω*, such that for ω > ω*, the one mobile ion approximation works well. We also show that for Dm ≪ Dp, ω* is independent of Dm.

  4. Testing the frozen flow approximation

    NASA Technical Reports Server (NTRS)

    Lucchin, Francesco; Matarrese, Sabino; Melott, Adrian L.; Moscardini, Lauro

    1993-01-01

    We investigate the accuracy of the frozen-flow approximation (FFA), recently proposed by Matarrese, et al. (1992), for following the nonlinear evolution of cosmological density fluctuations under gravitational instability. We compare a number of statistics between results of the FFA and n-body simulations, including those used by Melott, Pellman & Shandarin (1993) to test the Zel'dovich approximation. The FFA performs reasonably well in a statistical sense, e.g. in reproducing the counts-in-cell distribution, at small scales, but it does poorly in the crosscorrelation with n-body which means it is generally not moving mass to the right place, especially in models with high small-scale power.

  5. Approximate reasoning using terminological models

    NASA Technical Reports Server (NTRS)

    Yen, John; Vaidya, Nitin

    1992-01-01

    Term Subsumption Systems (TSS) form a knowledge-representation scheme in AI that can express the defining characteristics of concepts through a formal language that has a well-defined semantics and incorporates a reasoning mechanism that can deduce whether one concept subsumes another. However, TSS's have very limited ability to deal with the issue of uncertainty in knowledge bases. The objective of this research is to address issues in combining approximate reasoning with term subsumption systems. To do this, we have extended an existing AI architecture (CLASP) that is built on the top of a term subsumption system (LOOM). First, the assertional component of LOOM has been extended for asserting and representing uncertain propositions. Second, we have extended the pattern matcher of CLASP for plausible rule-based inferences. Third, an approximate reasoning model has been added to facilitate various kinds of approximate reasoning. And finally, the issue of inconsistency in truth values due to inheritance is addressed using justification of those values. This architecture enhances the reasoning capabilities of expert systems by providing support for reasoning under uncertainty using knowledge captured in TSS. Also, as definitional knowledge is explicit and separate from heuristic knowledge for plausible inferences, the maintainability of expert systems could be improved.

  6. Microscopic justification of the equal filling approximation

    SciTech Connect

    Perez-Martin, Sara; Robledo, L. M.

    2008-07-15

    The equal filling approximation, a procedure widely used in mean-field calculations to treat the dynamics of odd nuclei in a time-reversal invariant way, is justified as the consequence of a variational principle over an average energy functional. The ideas of statistical quantum mechanics are employed in the justification. As an illustration of the method, the ground and lowest-lying states of some octupole deformed radium isotopes are computed.

  7. A coastal ocean model with subgrid approximation

    NASA Astrophysics Data System (ADS)

    Walters, Roy A.

    2016-06-01

    A wide variety of coastal ocean models exist, each having attributes that reflect specific application areas. The model presented here is based on finite element methods with unstructured grids containing triangular and quadrilateral elements. The model optimizes robustness, accuracy, and efficiency by using semi-implicit methods in time in order to remove the most restrictive stability constraints, by using a semi-Lagrangian advection approximation to remove Courant number constraints, and by solving a wave equation at the discrete level for enhanced efficiency. An added feature is the approximation of the effects of subgrid objects. Here, the Reynolds-averaged Navier-Stokes equations and the incompressibility constraint are volume averaged over one or more computational cells. This procedure gives rise to new terms which must be approximated as a closure problem. A study of tidal power generation is presented as an example of this method. A problem that arises is specifying appropriate thrust and power coefficients for the volume averaged velocity when they are usually referenced to free stream velocity. A new contribution here is the evaluation of three approaches to this problem: an iteration procedure and two mapping formulations. All three sets of results for thrust (form drag) and power are in reasonable agreement.

  8. On approximating hereditary dynamics by systems of ordinary differential equations

    NASA Technical Reports Server (NTRS)

    Cliff, E. M.; Burns, J. A.

    1978-01-01

    The paper deals with methods of obtaining approximate solutions to linear retarded functional differential equations (hereditary systems). The basic notion is to project the infinite dimensional space of initial functions for the hereditary system onto a finite dimensional subspace. Within this framework, two particular schemes are discussed. The first uses well-known piecewise constant approximations, while the second is a new method based on piecewise linear approximating functions. Numerical results are given.

  9. Median Approximations for Genomes Modeled as Matrices.

    PubMed

    Zanetti, Joao Paulo Pereira; Biller, Priscila; Meidanis, Joao

    2016-04-01

    The genome median problem is an important problem in phylogenetic reconstruction under rearrangement models. It can be stated as follows: Given three genomes, find a fourth that minimizes the sum of the pairwise rearrangement distances between it and the three input genomes. In this paper, we model genomes as matrices and study the matrix median problem using the rank distance. It is known that, for any metric distance, at least one of the corners is a [Formula: see text]-approximation of the median. Our results allow us to compute up to three additional matrix median candidates, all of them with approximation ratios at least as good as the best corner, when the input matrices come from genomes. We also show a class of instances where our candidates are optimal. From the application point of view, it is usually more interesting to locate medians farther from the corners, and therefore, these new candidates are potentially more useful. In addition to the approximation algorithm, we suggest a heuristic to get a genome from an arbitrary square matrix. This is useful to translate the results of our median approximation algorithm back to genomes, and it has good results in our tests. To assess the relevance of our approach in the biological context, we ran simulated evolution tests and compared our solutions to those of an exact DCJ median solver. The results show that our method is capable of producing very good candidates. PMID:27072561

  10. Achievements and Problems in Diophantine Approximation Theory

    NASA Astrophysics Data System (ADS)

    Sprindzhuk, V. G.

    1980-08-01

    ContentsIntroduction I. Metrical theory of approximation on manifolds § 1. The basic problem § 2. Brief survey of results § 3. The principal conjecture II. Metrical theory of transcendental numbers § 1. Mahler's classification of numbers § 2. Metrical characterization of numbers with a given type of approximation § 3. Further problems III. Approximation of algebraic numbers by rationals § 1. Simultaneous approximations § 2. The inclusion of p-adic metrics § 3. Effective improvements of Liouville's inequality IV. Estimates of linear forms in logarithms of algebraic numbers § 1. The basic method § 2. Survey of results § 3. Estimates in the p-adic metric V. Diophantine equations § 1. Ternary exponential equations § 2. The Thue and Thue-Mahler equations § 3. Equations of hyperelliptic type § 4. Algebraic-exponential equations VI. The arithmetic structure of polynomials and the class number § 1. The greatest prime divisor of a polynomial in one variable § 2. The greatest prime divisor of a polynomial in two variables § 3. Square-free divisors of polynomials and the class number § 4. The general problem of the size of the class number Conclusion References

  11. An Analysis of the Morris Loe Angle Trisection Approximation.

    ERIC Educational Resources Information Center

    Aslan, Farhad,; And Others

    1992-01-01

    Presents the Morris Loe Angle Trisection Approximation Method to introduce students to areas of mathematics where approximations are used when exact answers are difficult or impossible to obtain. Examines the accuracy of the method using the laws of sines and cosines and a BASIC computer program that is provided. (MDH)

  12. The blind leading the blind: Mutual refinement of approximate theories

    NASA Technical Reports Server (NTRS)

    Kedar, Smadar T.; Bresina, John L.; Dent, C. Lisa

    1991-01-01

    The mutual refinement theory, a method for refining world models in a reactive system, is described. The method detects failures, explains their causes, and repairs the approximate models which cause the failures. The approach focuses on using one approximate model to refine another.

  13. Landau-Zener approximations for resonant neutrino oscillations

    SciTech Connect

    Whisnant, K.

    1988-07-15

    A simple method for calculating the effects of resonant neutrino oscillations using Landau-Zener approximations is presented. For any given set of oscillation parameters, the method is to use the Landau-Zener approximation which works best in that region.

  14. Improved non-approximability results

    SciTech Connect

    Bellare, M.; Sudan, M.

    1994-12-31

    We indicate strong non-approximability factors for central problems: N{sup 1/4} for Max Clique; N{sup 1/10} for Chromatic Number; and 66/65 for Max 3SAT. Underlying the Max Clique result is a proof system in which the verifier examines only three {open_quotes}free bits{close_quotes} to attain an error of 1/2. Underlying the Chromatic Number result is a reduction from Max Clique which is more efficient than previous ones.

  15. Generalized Gradient Approximation Made Simple

    SciTech Connect

    Perdew, J.P.; Burke, K.; Ernzerhof, M.

    1996-10-01

    Generalized gradient approximations (GGA{close_quote}s) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other than those in LSD) are fundamental constants. Only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential. {copyright} {ital 1996 The American Physical Society.}

  16. The structural physical approximation conjecture

    NASA Astrophysics Data System (ADS)

    Shultz, Fred

    2016-01-01

    It was conjectured that the structural physical approximation (SPA) of an optimal entanglement witness is separable (or equivalently, that the SPA of an optimal positive map is entanglement breaking). This conjecture was disproved, first for indecomposable maps and more recently for decomposable maps. The arguments in both cases are sketched along with important related results. This review includes background material on topics including entanglement witnesses, optimality, duality of cones, decomposability, and the statement and motivation for the SPA conjecture so that it should be accessible for a broad audience.

  17. Approximate solutions for certain bidomain problems in electrocardiography

    NASA Astrophysics Data System (ADS)

    Johnston, Peter R.

    2008-10-01

    The simulation of problems in electrocardiography using the bidomain model for cardiac tissue often creates issues with satisfaction of the boundary conditions required to obtain a solution. Recent studies have proposed approximate methods for solving such problems by satisfying the boundary conditions only approximately. This paper presents an analysis of their approximations using a similar method, but one which ensures that the boundary conditions are satisfied during the whole solution process. Also considered are additional functional forms, used in the approximate solutions, which are more appropriate to specific boundary conditions. The analysis shows that the approximations introduced by Patel and Roth [Phys. Rev. E 72, 051931 (2005)] generally give accurate results. However, there are certain situations where functional forms based on the geometry of the problem under consideration can give improved approximations. It is also demonstrated that the recent methods are equivalent to different approaches to solving the same problems introduced 20years earlier.

  18. Hamilton's Principle and Approximate Solutions to Problems in Classical Mechanics

    ERIC Educational Resources Information Center

    Schlitt, D. W.

    1977-01-01

    Shows how to use the Ritz method for obtaining approximate solutions to problems expressed in variational form directly from the variational equation. Application of this method to classical mechanics is given. (MLH)

  19. Wavelet Approximation in Data Assimilation

    NASA Technical Reports Server (NTRS)

    Tangborn, Andrew; Atlas, Robert (Technical Monitor)

    2002-01-01

    Estimation of the state of the atmosphere with the Kalman filter remains a distant goal because of high computational cost of evolving the error covariance for both linear and nonlinear systems. Wavelet approximation is presented here as a possible solution that efficiently compresses both global and local covariance information. We demonstrate the compression characteristics on the the error correlation field from a global two-dimensional chemical constituent assimilation, and implement an adaptive wavelet approximation scheme on the assimilation of the one-dimensional Burger's equation. In the former problem, we show that 99%, of the error correlation can be represented by just 3% of the wavelet coefficients, with good representation of localized features. In the Burger's equation assimilation, the discrete linearized equations (tangent linear model) and analysis covariance are projected onto a wavelet basis and truncated to just 6%, of the coefficients. A nearly optimal forecast is achieved and we show that errors due to truncation of the dynamics are no greater than the errors due to covariance truncation.

  20. Plasma Physics Approximations in Ares

    SciTech Connect

    Managan, R. A.

    2015-01-08

    Lee & More derived analytic forms for the transport properties of a plasma. Many hydro-codes use their formulae for electrical and thermal conductivity. The coefficients are complex functions of Fermi-Dirac integrals, Fn( μ/θ ), the chemical potential, μ or ζ = ln(1+e μ/θ ), and the temperature, θ = kT. Since these formulae are expensive to compute, rational function approximations were fit to them. Approximations are also used to find the chemical potential, either μ or ζ . The fits use ζ as the independent variable instead of μ/θ . New fits are provided for Aα (ζ ),Aβ (ζ ), ζ, f(ζ ) = (1 + e-μ/θ)F1/2(μ/θ), F1/2'/F1/2, Fcα, and Fcβ. In each case the relative error of the fit is minimized since the functions can vary by many orders of magnitude. The new fits are designed to exactly preserve the limiting values in the non-degenerate and highly degenerate limits or as ζ→ 0 or ∞. The original fits due to Lee & More and George Zimmerman are presented for comparison.

  1. Approximation of pseudospectra on a Hilbert space

    NASA Astrophysics Data System (ADS)

    Schmidt, Torge; Lindner, Marko

    2016-06-01

    The study of spectral properties of linear operators on an infinite-dimensional Hilbert space is of great interest. This task is especially difficult when the operator is non-selfadjoint or even non-normal. Standard approaches like spectral approximation by finite sections generally fail in that case. In this talk we present an algorithm which rigorously computes upper and lower bounds for the spectrum and pseudospectrum of such operators using finite-dimensional approximations. One of our main fields of research is an efficient implementation of this algorithm. To this end we will demonstrate and evaluate methods for the computation of the pseudospectrum of finite-dimensional operators based on continuation techniques.

  2. Approximated solutions to Born-Infeld dynamics

    NASA Astrophysics Data System (ADS)

    Ferraro, Rafael; Nigro, Mauro

    2016-02-01

    The Born-Infeld equation in the plane is usefully captured in complex language. The general exact solution can be written as a combination of holomorphic and anti-holomorphic functions. However, this solution only expresses the potential in an implicit way. We rework the formulation to obtain the complex potential in an explicit way, by means of a perturbative procedure. We take care of the secular behavior common to this kind of approach, by resorting to a symmetry the equation has at the considered order of approximation. We apply the method to build approximated solutions to Born-Infeld electrodynamics. We solve for BI electromagnetic waves traveling in opposite directions. We study the propagation at interfaces, with the aim of searching for effects susceptible to experimental detection. In particular, we show that a reflected wave is produced when a wave is incident on a semi-space containing a magnetostatic field.

  3. Planetary ephemerides approximation for radar astronomy

    NASA Technical Reports Server (NTRS)

    Sadr, R.; Shahshahani, M.

    1991-01-01

    The planetary ephemerides approximation for radar astronomy is discussed, and, in particular, the effect of this approximation on the performance of the programmable local oscillator (PLO) used in Goldstone Solar System Radar is presented. Four different approaches are considered and it is shown that the Gram polynomials outperform the commonly used technique based on Chebyshev polynomials. These methods are used to analyze the mean square, the phase error, and the frequency tracking error in the presence of the worst case Doppler shift that one may encounter within the solar system. It is shown that in the worst case the phase error is under one degree and the frequency tracking error less than one hertz when the frequency to the PLO is updated every millisecond.

  4. Approximate inverse preconditioners for general sparse matrices

    SciTech Connect

    Chow, E.; Saad, Y.

    1994-12-31

    Preconditioned Krylov subspace methods are often very efficient in solving sparse linear matrices that arise from the discretization of elliptic partial differential equations. However, for general sparse indifinite matrices, the usual ILU preconditioners fail, often because of the fact that the resulting factors L and U give rise to unstable forward and backward sweeps. In such cases, alternative preconditioners based on approximate inverses may be attractive. We are currently developing a number of such preconditioners based on iterating on each column to get the approximate inverse. For this approach to be efficient, the iteration must be done in sparse mode, i.e., we must use sparse-matrix by sparse-vector type operatoins. We will discuss a few options and compare their performance on standard problems from the Harwell-Boeing collection.

  5. Some approximation concepts for structural synthesis

    NASA Technical Reports Server (NTRS)

    Schmit, L. A., Jr.; Farshi, B.

    1974-01-01

    An efficient automated minimum weight design procedure is presented which is applicable to sizing structural systems that can be idealized by truss, shear panel, and constant strain triangles. Static stress and displacement constraints under alternative loading conditions are considered. The optimization algorithm is an adaptation of the method of inscribed hyperspheres and high efficiency is achieved by using several approximation concepts including temporary deletion of noncritical constraints, design variable linking, and Taylor series expansions for response variables in terms of design variables. Optimum designs for several planar and space truss examples problems are presented. The results reported support the contention that the innovative use of approximation concepts in structural synthesis can produce significant improvements in efficiency.

  6. Some approximation concepts for structural synthesis.

    NASA Technical Reports Server (NTRS)

    Schmit, L. A., Jr.; Farshi, B.

    1973-01-01

    An efficient automated minimum weight design procedure is presented which is applicable to sizing structural systems that can be idealized by truss, shear panel, and constant strain triangles. Static stress and displacement constraints under alternative loading conditions are considered. The optimization algorithm is an adaptation of the method of inscribed hyperspheres and high efficiency is achieved by using several approximation concepts including temporary deletion of noncritical constraints, design variable linking, and Taylor series expansions for response variables in terms of design variables. Optimum designs for several planar and space truss example problems are presented. The results reported support the contention that the innovative use of approximation concepts in structural synthesis can produce significant improvements in efficiency.

  7. A Gradient Descent Approximation for Graph Cuts

    NASA Astrophysics Data System (ADS)

    Yildiz, Alparslan; Akgul, Yusuf Sinan

    Graph cuts have become very popular in many areas of computer vision including segmentation, energy minimization, and 3D reconstruction. Their ability to find optimal results efficiently and the convenience of usage are some of the factors of this popularity. However, there are a few issues with graph cuts, such as inherent sequential nature of popular algorithms and the memory bloat in large scale problems. In this paper, we introduce a novel method for the approximation of the graph cut optimization by posing the problem as a gradient descent formulation. The advantages of our method is the ability to work efficiently on large problems and the possibility of convenient implementation on parallel architectures such as inexpensive Graphics Processing Units (GPUs). We have implemented the proposed method on the Nvidia 8800GTS GPU. The classical segmentation experiments on static images and video data showed the effectiveness of our method.

  8. Monotonically improving approximate answers to relational algebra queries

    NASA Technical Reports Server (NTRS)

    Smith, Kenneth P.; Liu, J. W. S.

    1989-01-01

    We present here a query processing method that produces approximate answers to queries posed in standard relational algebra. This method is monotone in the sense that the accuracy of the approximate result improves with the amount of time spent producing the result. This strategy enables us to trade the time to produce the result for the accuracy of the result. An approximate relational model that characterizes appromimate relations and a partial order for comparing them is developed. Relational operators which operate on and return approximate relations are defined.

  9. Legendre-tau approximations for functional differential equations

    NASA Technical Reports Server (NTRS)

    Ito, K.; Teglas, R.

    1986-01-01

    The numerical approximation of solutions to linear retarded functional differential equations are considered using the so-called Legendre-tau method. The functional differential equation is first reformulated as a partial differential equation with a nonlocal boundary condition involving time-differentiation. The approximate solution is then represented as a truncated Legendre series with time-varying coefficients which satisfy a certain system of ordinary differential equations. The method is very easy to code and yields very accurate approximations. Convergence is established, various numerical examples are presented, and comparison between the latter and cubic spline approximation is made.

  10. Legendre-Tau approximations for functional differential equations

    NASA Technical Reports Server (NTRS)

    Ito, K.; Teglas, R.

    1983-01-01

    The numerical approximation of solutions to linear functional differential equations are considered using the so called Legendre tau method. The functional differential equation is first reformulated as a partial differential equation with a nonlocal boundary condition involving time differentiation. The approximate solution is then represented as a truncated Legendre series with time varying coefficients which satisfy a certain system of ordinary differential equations. The method is very easy to code and yields very accurate approximations. Convergence is established, various numerical examples are presented, and comparison between the latter and cubic spline approximations is made.

  11. Interplay of approximate planning strategies.

    PubMed

    Huys, Quentin J M; Lally, Níall; Faulkner, Paul; Eshel, Neir; Seifritz, Erich; Gershman, Samuel J; Dayan, Peter; Roiser, Jonathan P

    2015-03-10

    Humans routinely formulate plans in domains so complex that even the most powerful computers are taxed. To do so, they seem to avail themselves of many strategies and heuristics that efficiently simplify, approximate, and hierarchically decompose hard tasks into simpler subtasks. Theoretical and cognitive research has revealed several such strategies; however, little is known about their establishment, interaction, and efficiency. Here, we use model-based behavioral analysis to provide a detailed examination of the performance of human subjects in a moderately deep planning task. We find that subjects exploit the structure of the domain to establish subgoals in a way that achieves a nearly maximal reduction in the cost of computing values of choices, but then combine partial searches with greedy local steps to solve subtasks, and maladaptively prune the decision trees of subtasks in a reflexive manner upon encountering salient losses. Subjects come idiosyncratically to favor particular sequences of actions to achieve subgoals, creating novel complex actions or "options." PMID:25675480

  12. Approximating metal-insulator transitions

    NASA Astrophysics Data System (ADS)

    Danieli, Carlo; Rayanov, Kristian; Pavlov, Boris; Martin, Gaven; Flach, Sergej

    2015-12-01

    We consider quantum wave propagation in one-dimensional quasiperiodic lattices. We propose an iterative construction of quasiperiodic potentials from sequences of potentials with increasing spatial period. At each finite iteration step, the eigenstates reflect the properties of the limiting quasiperiodic potential properties up to a controlled maximum system size. We then observe approximate Metal-Insulator Transitions (MIT) at the finite iteration steps. We also report evidence on mobility edges, which are at variance to the celebrated Aubry-André model. The dynamics near the MIT shows a critical slowing down of the ballistic group velocity in the metallic phase, similar to the divergence of the localization length in the insulating phase.

  13. Strong shock implosion, approximate solution

    NASA Astrophysics Data System (ADS)

    Fujimoto, Y.; Mishkin, E. A.; Alejaldre, C.

    1983-01-01

    The self-similar, center-bound motion of a strong spherical, or cylindrical, shock wave moving through an ideal gas with a constant, γ= cp/ cv, is considered and a linearized, approximate solution is derived. An X, Y phase plane of the self-similar solution is defined and the representative curved of the system behind the shock front is replaced by a straight line connecting the mappings of the shock front with that of its tail. The reduced pressure P(ξ), density R(ξ) and velocity U1(ξ) are found in closed, quite accurate, form. Comparison with numerically obtained results, for γ= {5}/{3} and γ= {7}/{5}, is shown.

  14. Approximate analytic solutions to the NPDD: Short exposure approximations

    NASA Astrophysics Data System (ADS)

    Close, Ciara E.; Sheridan, John T.

    2014-04-01

    There have been many attempts to accurately describe the photochemical processes that take places in photopolymer materials. As the models have become more accurate, solving them has become more numerically intensive and more 'opaque'. Recent models incorporate the major photochemical reactions taking place as well as the diffusion effects resulting from the photo-polymerisation process, and have accurately described these processes in a number of different materials. It is our aim to develop accessible mathematical expressions which provide physical insights and simple quantitative predictions of practical value to material designers and users. In this paper, starting with the Non-Local Photo-Polymerisation Driven Diffusion (NPDD) model coupled integro-differential equations, we first simplify these equations and validate the accuracy of the resulting approximate model. This new set of governing equations are then used to produce accurate analytic solutions (polynomials) describing the evolution of the monomer and polymer concentrations, and the grating refractive index modulation, in the case of short low intensity sinusoidal exposures. The physical significance of the results and their consequences for holographic data storage (HDS) are then discussed.

  15. Generalized Lorentzian approximations for the Voigt line shape.

    PubMed

    Martin, P; Puerta, J

    1981-01-15

    The object of the work reported in this paper was to find a simple and easy to calculate approximation to the Voigt function using the Padé method. To do this we calculated the multipole approximation to the complex function as the error function or as the plasma dispersion function. This generalized Lorentzian approximation can be used instead of the exact function in experiments that do not require great accuracy. PMID:20309100

  16. LCAO approximation for scaling properties of the Menger sponge fractal.

    PubMed

    Sakoda, Kazuaki

    2006-11-13

    The electromagnetic eigenmodes of a three-dimensional fractal called the Menger sponge were analyzed by the LCAO (linear combination of atomic orbitals) approximation and a first-principle calculation based on the FDTD (finite-difference time-domain) method. Due to the localized nature of the eigenmodes, the LCAO approximation gives a good guiding principle to find scaled eigenfunctions and to observe the approximate self-similarity in the spectrum of the localized eigenmodes. PMID:19529555

  17. Approximation abilities of neuro-fuzzy networks

    NASA Astrophysics Data System (ADS)

    Mrówczyńska, Maria

    2010-01-01

    The paper presents the operation of two neuro-fuzzy systems of an adaptive type, intended for solving problems of the approximation of multi-variable functions in the domain of real numbers. Neuro-fuzzy systems being a combination of the methodology of artificial neural networks and fuzzy sets operate on the basis of a set of fuzzy rules "if-then", generated by means of the self-organization of data grouping and the estimation of relations between fuzzy experiment results. The article includes a description of neuro-fuzzy systems by Takaga-Sugeno-Kang (TSK) and Wang-Mendel (WM), and in order to complement the problem in question, a hierarchical structural self-organizing method of teaching a fuzzy network. A multi-layer structure of the systems is a structure analogous to the structure of "classic" neural networks. In its final part the article presents selected areas of application of neuro-fuzzy systems in the field of geodesy and surveying engineering. Numerical examples showing how the systems work concerned: the approximation of functions of several variables to be used as algorithms in the Geographic Information Systems (the approximation of a terrain model), the transformation of coordinates, and the prediction of a time series. The accuracy characteristics of the results obtained have been taken into consideration.

  18. Investigating Material Approximations in Spacecraft Radiation Analysis

    NASA Technical Reports Server (NTRS)

    Walker, Steven A.; Slaba, Tony C.; Clowdsley, Martha S.; Blattnig, Steve R.

    2011-01-01

    During the design process, the configuration of space vehicles and habitats changes frequently and the merits of design changes must be evaluated. Methods for rapidly assessing astronaut exposure are therefore required. Typically, approximations are made to simplify the geometry and speed up the evaluation of each design. In this work, the error associated with two common approximations used to simplify space radiation vehicle analyses, scaling into equivalent materials and material reordering, are investigated. Over thirty materials commonly found in spacesuits, vehicles, and human bodies are considered. Each material is placed in a material group (aluminum, polyethylene, or tissue), and the error associated with scaling and reordering was quantified for each material. Of the scaling methods investigated, range scaling is shown to be the superior method, especially for shields less than 30 g/cm2 exposed to a solar particle event. More complicated, realistic slabs are examined to quantify the separate and combined effects of using equivalent materials and reordering. The error associated with material reordering is shown to be at least comparable to, if not greater than, the error associated with range scaling. In general, scaling and reordering errors were found to grow with the difference between the average nuclear charge of the actual material and average nuclear charge of the equivalent material. Based on this result, a different set of equivalent materials (titanium, aluminum, and tissue) are substituted for the commonly used aluminum, polyethylene, and tissue. The realistic cases are scaled and reordered using the new equivalent materials, and the reduced error is shown.

  19. Iterative Sparse Approximation of the Gravitational Potential

    NASA Astrophysics Data System (ADS)

    Telschow, R.

    2012-04-01

    In recent applications in the approximation of gravitational potential fields, several new challenges arise. We are concerned with a huge quantity of data (e.g. in case of the Earth) or strongly irregularly distributed data points (e.g. in case of the Juno mission to Jupiter), where both of these problems bring the established approximation methods to their limits. Our novel method, which is a matching pursuit, however, iteratively chooses a best basis out of a large redundant family of trial functions to reconstruct the signal. It is independent of the data points which makes it possible to take into account a much higher amount of data and, furthermore, handle irregularly distributed data, since the algorithm is able to combine arbitrary spherical basis functions, i.e., global as well as local trial functions. This additionaly results in a solution, which is sparse in the sense that it features more basis functions where the signal has a higher local detail density. Summarizing, we get a method which reconstructs large quantities of data with a preferably low number of basis functions, combining global as well as several localizing functions to a sparse basis and a solution which is locally adapted to the data density and also to the detail density of the signal.

  20. Virial expansion coefficients in the harmonic approximation.

    PubMed

    Armstrong, J R; Zinner, N T; Fedorov, D V; Jensen, A S

    2012-08-01

    The virial expansion method is applied within a harmonic approximation to an interacting N-body system of identical fermions. We compute the canonical partition functions for two and three particles to get the two lowest orders in the expansion. The energy spectrum is carefully interpolated to reproduce ground-state properties at low temperature and the noninteracting high-temperature limit of constant virial coefficients. This resembles the smearing of shell effects in finite systems with increasing temperature. Numerical results are discussed for the second and third virial coefficients as functions of dimension, temperature, interaction, and transition temperature between low- and high-energy limits. PMID:23005730

  1. Approximate risk assessment prioritizes remedial decisions

    SciTech Connect

    Bergmann, E.P. )

    1993-08-01

    Approximate risk assessment (ARA) is a management tool that prioritizes cost/benefit options for risk reduction decisions. Management needs a method that quantifies how much control is satisfactory for each level of risk reduction. Two risk matrices develop a scheme that estimates the necessary control a unit should implement with its present probability and severity of consequences/disaster. A second risk assessment matrix attaches a dollar value to each failure possibility at various severities. Now HPI operators can see the cost and benefit for each control step contemplated and justify returns based on removing the likelihood of the disaster.

  2. Shear viscosity in the postquasistatic approximation

    SciTech Connect

    Peralta, C.; Rosales, L.; Rodriguez-Mueller, B.; Barreto, W.

    2010-05-15

    We apply the postquasistatic approximation, an iterative method for the evolution of self-gravitating spheres of matter, to study the evolution of anisotropic nonadiabatic radiating and dissipative distributions in general relativity. Dissipation is described by viscosity and free-streaming radiation, assuming an equation of state to model anisotropy induced by the shear viscosity. We match the interior solution, in noncomoving coordinates, with the Vaidya exterior solution. Two simple models are presented, based on the Schwarzschild and Tolman VI solutions, in the nonadiabatic and adiabatic limit. In both cases, the eventual collapse or expansion of the distribution is mainly controlled by the anisotropy induced by the viscosity.

  3. Fast Approximate Analysis Of Modified Antenna Structure

    NASA Technical Reports Server (NTRS)

    Levy, Roy

    1991-01-01

    Abbreviated algorithms developed for fast approximate analysis of effects of modifications in supporting structures upon root-mean-square (rms) path-length errors of paraboloidal-dish antennas. Involves combination of methods of structural-modification reanalysis with new extensions of correlation analysis to obtain revised rms path-length error. Full finite-element analysis, usually requires computer of substantial capacity, necessary only to obtain responses of unmodified structure to known external loads and to selected self-equilibrating "indicator" loads. Responses used in shortcut calculations, which, although theoretically "exact", simple enough to be performed on hand-held calculator. Useful in design, design-sensitivity analysis, and parametric studies.

  4. Function approximation in inhibitory networks.

    PubMed

    Tripp, Bryan; Eliasmith, Chris

    2016-05-01

    In performance-optimized artificial neural networks, such as convolutional networks, each neuron makes excitatory connections with some of its targets and inhibitory connections with others. In contrast, physiological neurons are typically either excitatory or inhibitory, not both. This is a puzzle, because it seems to constrain computation, and because there are several counter-examples that suggest that it may not be a physiological necessity. Parisien et al. (2008) showed that any mixture of excitatory and inhibitory functional connections could be realized by a purely excitatory projection in parallel with a two-synapse projection through an inhibitory population. They showed that this works well with ratios of excitatory and inhibitory neurons that are realistic for the neocortex, suggesting that perhaps the cortex efficiently works around this apparent computational constraint. Extending this work, we show here that mixed excitatory and inhibitory functional connections can also be realized in networks that are dominated by inhibition, such as those of the basal ganglia. Further, we show that the function-approximation capacity of such connections is comparable to that of idealized mixed-weight connections. We also study whether such connections are viable in recurrent networks, and find that such recurrent networks can flexibly exhibit a wide range of dynamics. These results offer a new perspective on computation in the basal ganglia, and also perhaps on inhibitory networks within the cortex. PMID:26963256

  5. Interplay of approximate planning strategies

    PubMed Central

    Huys, Quentin J. M.; Lally, Níall; Faulkner, Paul; Eshel, Neir; Seifritz, Erich; Gershman, Samuel J.; Dayan, Peter; Roiser, Jonathan P.

    2015-01-01

    Humans routinely formulate plans in domains so complex that even the most powerful computers are taxed. To do so, they seem to avail themselves of many strategies and heuristics that efficiently simplify, approximate, and hierarchically decompose hard tasks into simpler subtasks. Theoretical and cognitive research has revealed several such strategies; however, little is known about their establishment, interaction, and efficiency. Here, we use model-based behavioral analysis to provide a detailed examination of the performance of human subjects in a moderately deep planning task. We find that subjects exploit the structure of the domain to establish subgoals in a way that achieves a nearly maximal reduction in the cost of computing values of choices, but then combine partial searches with greedy local steps to solve subtasks, and maladaptively prune the decision trees of subtasks in a reflexive manner upon encountering salient losses. Subjects come idiosyncratically to favor particular sequences of actions to achieve subgoals, creating novel complex actions or “options.” PMID:25675480

  6. Decision analysis with approximate probabilities

    NASA Technical Reports Server (NTRS)

    Whalen, Thomas

    1992-01-01

    This paper concerns decisions under uncertainty in which the probabilities of the states of nature are only approximately known. Decision problems involving three states of nature are studied. This is due to the fact that some key issues do not arise in two-state problems, while probability spaces with more than three states of nature are essentially impossible to graph. The primary focus is on two levels of probabilistic information. In one level, the three probabilities are separately rounded to the nearest tenth. This can lead to sets of rounded probabilities which add up to 0.9, 1.0, or 1.1. In the other level, probabilities are rounded to the nearest tenth in such a way that the rounded probabilities are forced to sum to 1.0. For comparison, six additional levels of probabilistic information, previously analyzed, were also included in the present analysis. A simulation experiment compared four criteria for decisionmaking using linearly constrained probabilities (Maximin, Midpoint, Standard Laplace, and Extended Laplace) under the eight different levels of information about probability. The Extended Laplace criterion, which uses a second order maximum entropy principle, performed best overall.

  7. Simulation of Simple Controlled Processes with Dead-Time.

    ERIC Educational Resources Information Center

    Watson, Keith R.; And Others

    1985-01-01

    The determination of closed-loop response of processes containing dead-time is typically not covered in undergraduate process control, possibly because the solution by Laplace transforms requires the use of Pade approximation for dead-time, which makes the procedure lengthy and tedious. A computer-aided method is described which simplifies the…

  8. Rational approximations of viscous losses in vocal tract acoustic modeling

    NASA Astrophysics Data System (ADS)

    Wilhelms-Tricarico, Reiner; McGowan, Richard S.

    2004-06-01

    The modeling of viscous losses in acoustic wave transmission through tubes by a boundary layer approximation is valid if the thickness of the boundary layer is small compared to the hydraulic radius. A method was found to describe the viscous losses that extends the frequency range of the model to very low frequencies and very thin tubes. For higher frequencies, this method includes asymptotically the spectral effects of the boundary layer approximation. The method provides a simplification for the rational approximation of the spectral effects of viscous losses.

  9. Approximation and modeling with ambient B-splines

    NASA Astrophysics Data System (ADS)

    Lehmann, N.; Maier, L.-B.; Odathuparambil, S.; Reif, U.

    2016-06-01

    We present a novel technique for solving approximation problems on manifolds in terms of standard tensor product B-splines. This method is easy to implement and provides optimal approximation order. Applications include the representation of smooth surfaces of arbitrary genus.

  10. The weighted curvature approximation in scattering from sea surfaces

    NASA Astrophysics Data System (ADS)

    Guérin, Charles-Antoine; Soriano, Gabriel; Chapron, Bertrand

    2010-07-01

    A family of unified models in scattering from rough surfaces is based on local corrections of the tangent plane approximation through higher-order derivatives of the surface. We revisit these methods in a common framework when the correction is limited to the curvature, that is essentially the second-order derivative. The resulting expression is formally identical to the weighted curvature approximation, with several admissible kernels, however. For sea surfaces under the Gaussian assumption, we show that the weighted curvature approximation reduces to a universal and simple expression for the off-specular normalized radar cross-section (NRCS), regardless of the chosen kernel. The formula involves merely the sum of the NRCS in the classical Kirchhoff approximation and the NRCS in the small perturbation method, except that the Bragg kernel in the latter has to be replaced by the difference of a Bragg and a Kirchhoff kernel. This result is consistently compared with the resonant curvature approximation. Some numerical comparisons with the method of moments and other classical approximate methods are performed at various bands and sea states. For the copolarized components, the weighted curvature approximation is found numerically very close to the cut-off invariant two-scale model, while bringing substantial improvement to both the Kirchhoff and small-slope approximation. However, the model is unable to predict cross-polarization in the plane of incidence. The simplicity of the formulation opens new perspectives in sea state inversion from remote sensing data.

  11. Perturbation approximation for orbits in axially symmetric funnels

    NASA Astrophysics Data System (ADS)

    Nauenberg, Michael

    2014-11-01

    A perturbation method that can be traced back to Isaac Newton is applied to obtain approximate analytic solutions for objects sliding in axially symmetric funnels in near circular orbits. Some experimental observations are presented for balls rolling in inverted cones with different opening angles, and in a funnel with a hyperbolic surface that approximately simulates the gravitational force.

  12. Addendum to: “A FDTD analysis on magnetized plasma of Epstein distribution and reflection calculation” [Computer Physics Communications 180 (1) (2009) 55-60]. A short comment on the equivalence of the shift-operator FDTD method and the bilinear frequency approximation technique for modeling dispersive electromagnetic applications

    NASA Astrophysics Data System (ADS)

    Ramadan, Omar

    2010-07-01

    Recently, the shift operator finite difference time domain (SO-FDTD) method has been introduced by Yang [Computer Physics Communications 180 (1) (2009) 55-60] for modeling dispersive electromagnetic applications. This letter discuss the equivalence of this scheme and the well-known bilinear frequency approximation technique used in the field of digital signal processing. Although the SO-FDTD scheme looks different at first glance, it has been observed that it is fully equivalent to the bilinear frequency approximation technique. Consequently, the SO-FDTD scheme is indeed a bilinear transform operation which is unfortunately not cited by the author.

  13. How to Solve Schroedinger Problems by Approximating the Potential Function

    SciTech Connect

    Ledoux, Veerle; Van Daele, Marnix

    2010-09-30

    We give a survey over the efforts in the direction of solving the Schroedinger equation by using piecewise approximations of the potential function. Two types of approximating potentials have been considered in the literature, that is piecewise constant and piecewise linear functions. For polynomials of higher degree the approximating problem is not so easy to integrate analytically. This obstacle can be circumvented by using a perturbative approach to construct the solution of the approximating problem, leading to the so-called piecewise perturbation methods (PPM). We discuss the construction of a PPM in its most convenient form for applications and show that different PPM versions (CPM,LPM) are in fact equivalent.

  14. Various approximations made in augmented-plane-wave calculations

    NASA Astrophysics Data System (ADS)

    Bacalis, N. C.; Blathras, K.; Thomaides, P.; Papaconstantopoulos, D. A.

    1985-10-01

    The effects of various approximations used in performing augmented-plane-wave calculations were studied for elements of the fifth and sixth columns of the Periodic Table, namely V, Nb, Ta, Cr, Mo, and W. Two kinds of approximations have been checked: (i) variation of the number of k points used to iterate to self-consistency, and (ii) approximations for the treatment of the core states. In addition a comparison between relativistic and nonrelativistic calculations is made, and an approximate method of calculating the spin-orbit splitting is given.

  15. Iterative image restoration using approximate inverse preconditioning.

    PubMed

    Nagy, J G; Plemmons, R J; Torgersen, T C

    1996-01-01

    Removing a linear shift-invariant blur from a signal or image can be accomplished by inverse or Wiener filtering, or by an iterative least-squares deblurring procedure. Because of the ill-posed characteristics of the deconvolution problem, in the presence of noise, filtering methods often yield poor results. On the other hand, iterative methods often suffer from slow convergence at high spatial frequencies. This paper concerns solving deconvolution problems for atmospherically blurred images by the preconditioned conjugate gradient algorithm, where a new approximate inverse preconditioner is used to increase the rate of convergence. Theoretical results are established to show that fast convergence can be expected, and test results are reported for a ground-based astronomical imaging problem. PMID:18285203

  16. Techniques for correcting approximate finite difference solutions. [considering transonic flow

    NASA Technical Reports Server (NTRS)

    Nixon, D.

    1978-01-01

    A method of correcting finite-difference solutions for the effect of truncation error or the use of an approximate basic equation is presented. Applications to transonic flow problems are described and examples are given.

  17. Born approximation, scattering, and algorithm

    NASA Astrophysics Data System (ADS)

    Martinez, Alex; Hu, Mengqi; Gu, Haicheng; Qiao, Zhijun

    2015-05-01

    In the past few decades, there were many imaging algorithms designed in the case of the absence of multiple scattering. Recently, we discussed an algorithm for removing high order scattering components from collected data. This paper is a continuation of our previous work. First, we investigate the current state of multiple scattering in SAR. Then, we revise our method and test it. Given an estimate of our target reflectivity, we compute the multi scattering effects in the target region for various frequencies. Furthermore, we propagate this energy through free space towards our antenna, and remove it from the collected data.

  18. Adaptive approximation of higher order posterior statistics

    SciTech Connect

    Lee, Wonjung

    2014-02-01

    Filtering is an approach for incorporating observed data into time-evolving systems. Instead of a family of Dirac delta masses that is widely used in Monte Carlo methods, we here use the Wiener chaos expansion for the parametrization of the conditioned probability distribution to solve the nonlinear filtering problem. The Wiener chaos expansion is not the best method for uncertainty propagation without observations. Nevertheless, the projection of the system variables in a fixed polynomial basis spanning the probability space might be a competitive representation in the presence of relatively frequent observations because the Wiener chaos approach not only leads to an accurate and efficient prediction for short time uncertainty quantification, but it also allows to apply several data assimilation methods that can be used to yield a better approximate filtering solution. The aim of the present paper is to investigate this hypothesis. We answer in the affirmative for the (stochastic) Lorenz-63 system based on numerical simulations in which the uncertainty quantification method and the data assimilation method are adaptively selected by whether the dynamics is driven by Brownian motion and the near-Gaussianity of the measure to be updated, respectively.

  19. Producing approximate answers to database queries

    NASA Technical Reports Server (NTRS)

    Vrbsky, Susan V.; Liu, Jane W. S.

    1993-01-01

    We have designed and implemented a query processor, called APPROXIMATE, that makes approximate answers available if part of the database is unavailable or if there is not enough time to produce an exact answer. The accuracy of the approximate answers produced improves monotonically with the amount of data retrieved to produce the result. The exact answer is produced if all of the needed data are available and query processing is allowed to continue until completion. The monotone query processing algorithm of APPROXIMATE works within the standard relational algebra framework and can be implemented on a relational database system with little change to the relational architecture. We describe here the approximation semantics of APPROXIMATE that serves as the basis for meaningful approximations of both set-valued and single-valued queries. We show how APPROXIMATE is implemented to make effective use of semantic information, provided by an object-oriented view of the database, and describe the additional overhead required by APPROXIMATE.

  20. Analytic Approximate Solution for Falkner-Skan Equation

    PubMed Central

    Marinca, Bogdan

    2014-01-01

    This paper deals with the Falkner-Skan nonlinear differential equation. An analytic approximate technique, namely, optimal homotopy asymptotic method (OHAM), is employed to propose a procedure to solve a boundary-layer problem. Our method does not depend upon small parameters and provides us with a convenient way to optimally control the convergence of the approximate solutions. The obtained results reveal that this procedure is very effective, simple, and accurate. A very good agreement was found between our approximate results and numerical solutions, which prove that OHAM is very efficient in practice, ensuring a very rapid convergence after only one iteration. PMID:24883417