WorldWideScience

Sample records for exact numerical calculations

  1. Constructing exact symmetric informationally complete measurements from numerical solutions

    Science.gov (United States)

    Appleby, Marcus; Chien, Tuan-Yow; Flammia, Steven; Waldron, Shayne

    2018-04-01

    Recently, several intriguing conjectures have been proposed connecting symmetric informationally complete quantum measurements (SIC POVMs, or SICs) and algebraic number theory. These conjectures relate the SICs to their minimal defining algebraic number field. Testing or sharpening these conjectures requires that the SICs are expressed exactly, rather than as numerical approximations. While many exact solutions of SICs have been constructed previously using Gröbner bases, this method has probably been taken as far as is possible with current computer technology (except in special cases where there are additional symmetries). Here, we describe a method for converting high-precision numerical solutions into exact ones using an integer relation algorithm in conjunction with the Galois symmetries of an SIC. Using this method, we have calculated 69 new exact solutions, including nine new dimensions, where previously only numerical solutions were known—which more than triples the number of known exact solutions. In some cases, the solutions require number fields with degrees as high as 12 288. We use these solutions to confirm that they obey the number-theoretic conjectures, and address two questions suggested by the previous work.

  2. Numerical Exact Ab Initio Four-Nucleon Scattering Calculations: from Dream to Reality

    Science.gov (United States)

    Fonseca, A. C.; Deltuva, A.

    2017-03-01

    In the present manuscript we review the work of the last ten years on the pursuit to obtain numerical exact solutions of the four-nucleon scattering problem using the most advanced force models that fit two nucleon data up to pion production threshold with a χ ^2 per data point approximately one, together with the Coulomb interaction between protons; three- and four-nucleon forces are also included in the framework of a meson exchange potential model where NN couples to NΔ. Failure to describe the world data on four-nucleon scattering observables in the framework of a non relativistic scattering approach falls necessarily on the force models one uses. Four-nucleon observables pose very clear challenges, particular in the low energy region where there are a number of resonances whose position and width needs to be dynamically generated by the nucleon-nucleon (NN) interactions one uses. In addition, our calculations constitute the most advance piece of work where observables for all four-nucleon reactions involving isospin I=0, I=0 coupled to I=1 and isospin I=1 initial states are calculated at energies both below and above breakup threshold. We also present a very extensive comparison between calculated results and data for cross sections and spin observables. Therefore the present work reveals both the shortcomings and successes of some of the present NN force models in describing four-nucleon data and serve as a benchmark for future developments.

  3. Exact solutions, numerical relativity and gravitational radiation

    International Nuclear Information System (INIS)

    Winicour, J.

    1986-01-01

    In recent years, there has emerged a new use for exact solutions to Einstein's equation as checks on the accuracy of numerical relativity codes. Much has already been written about codes based upon the space-like Cauchy problem. In the case of two Killing vectors, a numerical characteristic initial value formulation based upon two intersecting families of null hypersurfaces has successfully evolved the Schwarzschild and the colliding plane wave vacuum solutions. Here the author discusses, in the context of exact solutions, numerical studies of gravitational radiation based upon the null cone initial value problem. Every stage of progress in the null cone approach has been associated with exact solutions in some sense. He begins by briefly recapping this history. Then he presents two new examples illustrating how exact solutions can be useful

  4. Exact and approximate multiple diffraction calculations

    International Nuclear Information System (INIS)

    Alexander, Y.; Wallace, S.J.; Sparrow, D.A.

    1976-08-01

    A three-body potential scattering problem is solved in the fixed scatterer model exactly and approximately to test the validity of commonly used assumptions of multiple scattering calculations. The model problem involves two-body amplitudes that show diffraction-like differential scattering similar to high energy hadron-nucleon amplitudes. The exact fixed scatterer calculations are compared to Glauber approximation, eikonal-expansion results and a noneikonal approximation

  5. Quantum mechanical calculations of vibrational population inversion in chemical reactions - Numerically exact L-squared-amplitude-density study of the H2Br reactive system

    Science.gov (United States)

    Zhang, Y. C.; Zhang, J. Z. H.; Kouri, D. J.; Haug, K.; Schwenke, D. W.

    1988-01-01

    Numerically exact, fully three-dimensional quantum mechanicl reactive scattering calculations are reported for the H2Br system. Both the exchange (H + H-prime Br to H-prime + HBr) and abstraction (H + HBR to H2 + Br) reaction channels are included in the calculations. The present results are the first completely converged three-dimensional quantum calculations for a system involving a highly exoergic reaction channel (the abstraction process). It is found that the production of vibrationally hot H2 in the abstraction reaction, and hence the extent of population inversion in the products, is a sensitive function of initial HBr rotational state and collision energy.

  6. Use of exact albedo conditions in numerical methods for one-dimensional one-speed discrete ordinates eigenvalue problems

    International Nuclear Information System (INIS)

    Abreu, M.P. de

    1994-01-01

    The use of exact albedo boundary conditions in numerical methods applied to one-dimensional one-speed discrete ordinates (S n ) eigenvalue problems for nuclear reactor global calculations is described. An albedo operator that treats the reflector region around a nuclear reactor core implicitly is described and exactly was derived. To illustrate the method's efficiency and accuracy, it was used conventional linear diamond method with the albedo option to solve typical model problems. (author)

  7. DWBA (d,N) Calculations Including Dirac Phenomenological Potentials and an Exact Treatment of Finite-range Effects

    Science.gov (United States)

    Hawk, Eric

    2005-04-01

    An algorithm for the inclusion of both Dirac phenomenological potentials and an exact treatment of finite-range effects within the DWBA is presented. The numerical implementation of this algorithm is used to calculate low-energy deuteron stripping cross sections, analyzing powers, and polarizations. These calculations are compared with experimental data where available. The impact of using several commonly employed nuclear potentials (Reid soft-core, Bonn, Argonne v18) for the internal deuteron wave function is also examined.

  8. Exact-exchange-based quasiparticle calculations

    International Nuclear Information System (INIS)

    Aulbur, Wilfried G.; Staedele, Martin; Goerling, Andreas

    2000-01-01

    One-particle wave functions and energies from Kohn-Sham calculations with the exact local Kohn-Sham exchange and the local density approximation (LDA) correlation potential [EXX(c)] are used as input for quasiparticle calculations in the GW approximation (GWA) for eight semiconductors. Quasiparticle corrections to EXX(c) band gaps are small when EXX(c) band gaps are close to experiment. In the case of diamond, quasiparticle calculations are essential to remedy a 0.7 eV underestimate of the experimental band gap within EXX(c). The accuracy of EXX(c)-based GWA calculations for the determination of band gaps is as good as the accuracy of LDA-based GWA calculations. For the lowest valence band width a qualitatively different behavior is observed for medium- and wide-gap materials. The valence band width of medium- (wide-) gap materials is reduced (increased) in EXX(c) compared to the LDA. Quasiparticle corrections lead to a further reduction (increase). As a consequence, EXX(c)-based quasiparticle calculations give valence band widths that are generally 1-2 eV smaller (larger) than experiment for medium- (wide-) gap materials. (c) 2000 The American Physical Society

  9. Exact renormalization group as a scheme for calculations

    International Nuclear Information System (INIS)

    Mack, G.

    1985-10-01

    In this lecture I report on recent work to use exact renormalization group methods to construct a scheme for calculations in quantum field theory and classical statistical mechanics on the continuum. (orig./HSI)

  10. Exact and numerical solutions of generalized Drinfeld-Sokolov equations

    International Nuclear Information System (INIS)

    Ugurlu, Yavuz; Kaya, Dogan

    2008-01-01

    In this Letter, we consider a system of generalized Drinfeld-Sokolov (gDS) equations which models one-dimensional nonlinear wave processes in two-component media. We find some exact solutions of gDS by using tanh function method and we also obtain a numerical solution by using the Adomian's Decomposition Method (ADM)

  11. Exact and numerical solutions of generalized Drinfeld-Sokolov equations

    Energy Technology Data Exchange (ETDEWEB)

    Ugurlu, Yavuz [Firat University, Department of Mathematics, 23119 Elazig (Turkey); Kaya, Dogan [Firat University, Department of Mathematics, 23119 Elazig (Turkey)], E-mail: dkaya36@yahoo.com

    2008-04-14

    In this Letter, we consider a system of generalized Drinfeld-Sokolov (gDS) equations which models one-dimensional nonlinear wave processes in two-component media. We find some exact solutions of gDS by using tanh function method and we also obtain a numerical solution by using the Adomian's Decomposition Method (ADM)

  12. Multi-instantons and exact results II: specific cases, higher-order effects, and numerical calculations

    International Nuclear Information System (INIS)

    Zinn-Justin, Jean; Jentschura, Ulrich D.

    2004-01-01

    In this second part of the treatment of instantons in quantum mechanics, the focus is on specific calculations related to a number of quantum mechanical potentials with degenerate minima. We calculate the leading multi-instanton contributions to the partition function, using the formalism introduced in the first part of the treatise [Ann. Phys. (N. Y.) (previous issue) (2004)]. The following potentials are considered: (i) asymmetric potentials with degenerate minima, (ii) the periodic cosine potential, (iii) anharmonic oscillators with radial symmetry, and (iv) a specific potential which bears an analogy with the Fokker-Planck equation. The latter potential has the peculiar property that the perturbation series for the ground-state energy vanishes to all orders and is thus formally convergent (the ground-state energy, however, is non-zero and positive). For the potentials (ii), (iii), and (iv), we calculate the perturbative B-function as well as the instanton A-function to fourth order in g. We also consider the double-well potential in detail, and present some higher-order analytic as well as numerical calculations to verify explicitly the related conjectures up to the order of three instantons. Strategies analogous to those outlined here could result in new conjectures for problems where our present understanding is more limited

  13. On a method of numerical calculation of nonlinear radial pulsations of stars

    International Nuclear Information System (INIS)

    Kosovichev, A.G.

    1984-01-01

    Some features of using the finite difference method for numerical investigation of nonradial pulsations of stars were considered. The mathematical model of these pulsations is described by time-dependent gasdynaMic equations with gravity. A one-dimentional (spherically-symmetric) case is considered. It was obtained a two-parametric family of ultimate conservative difference schemes where the diffepence analogy of the main conservative laws as well as the additional relations for the balance to individual kinds of energy are performed. Such difference schemes provide more exact calculation of nonlinear flows with shocks as compared with the other difference schemes with the same order of approximation. The methods of numerical solution of implicit (absolute stable) difference schemes for a given family were considered. The coupled equations are solved through iterative Newton method Using martrix and separate successive eliminations. Numerical method can be used for calculation of large amplitude radial pulsations of stars

  14. Exact and variational calculations of eigenmodes for three-dimensional free electron laser interaction with a warm electron beam

    Energy Technology Data Exchange (ETDEWEB)

    Xie, M. [Lawrence Berkeley Lab., CA (United States)

    1995-12-31

    I present an exact calculation of free-electron-laser (FEL) eigenmodes (fundamental as well as higher order modes) in the exponential-gain regime. These eigenmodes specify transverse profiles and exponential growth rates of the laser field, and they are self-consistent solutions of the coupled Maxwell-Vlasov equations describing the FEL interaction taking into account the effects due to energy spread, emittance and betatron oscillations of the electron beam, and diffraction and guiding of the laser field. The unperturbed electron distribution is assumed to be of Gaussian shape in four dimensional transverse phase space and in the energy variable, but uniform in longitudinal coordinate. The focusing of the electron beam is assumed to be matched to the natural wiggler focusing in both transverse planes. With these assumptions the eigenvalue problem can be reduced to a numerically manageable integral equation and solved exactly with a kernel iteration method. An approximate, but more efficient solution of the integral equation is also obtained for the fundamental mode by a variational technique, which is shown to agree well with the exact results. Furthermore, I present a handy formula, obtained from interpolating the numerical results, for a quick calculation of FEL exponential growth rate. Comparisons with simulation code TDA will also be presented. Application of these solutions to the design and multi-dimensional parameter space optimization for an X-ray free electron laser driven by SLAC linac will be demonstrated. In addition, a rigorous analysis of transverse mode degeneracy and hence the transverse coherence of the X-ray FEL will be presented based on the exact solutions of the higher order guided modes.

  15. Numeric calculation of celestial bodies with spreadsheet analysis

    Science.gov (United States)

    Koch, Alexander

    2016-04-01

    The motion of the planets and moons in our solar system can easily be calculated for any time by the Kepler laws of planetary motion. The Kepler laws are a special case of the gravitational law of Newton, especially if you consider more than two celestial bodies. Therefore it is more basic to calculate the motion by using the gravitational law. But the problem is, that by gravitational law it is not possible to calculate the state of motion with only one step of calculation. The motion has to be numerical calculated for many time intervalls. For this reason, spreadsheet analysis is helpful for students. Skills in programmes like Excel, Calc or Gnumeric are important in professional life and can easily be learnt by students. These programmes can help to calculate the complex motions with many intervalls. The more intervalls are used, the more exact are the calculated orbits. The sutdents will first get a quick course in Excel. After that they calculate with instructions the 2-D-coordinates of the orbits of Moon and Mars. Step by step the students are coding the formulae for calculating physical parameters like coordinates, force, acceleration and velocity. The project is limited to 4 weeks or 8 lessons. So the calcualtion will only include the calculation of one body around the central mass like Earth or Sun. The three-body problem can only be shortly discussed at the end of the project.

  16. Thermodynamics of Rh nuclear spins calculated by exact diagonalization

    DEFF Research Database (Denmark)

    Lefmann, K.; Ipsen, J.; Rasmussen, F.B.

    2000-01-01

    We have employed the method of exact diagonalization to obtain the full-energy spectrum of a cluster of 16 Rh nuclear spins, having dipolar and RK interactions between first and second nearest neighbours only. We have used this to calculate the nuclear spin entropy, and our results at both positi...

  17. Real-space, mean-field algorithm to numerically calculate long-range interactions

    Science.gov (United States)

    Cadilhe, A.; Costa, B. V.

    2016-02-01

    Long-range interactions are known to be of difficult treatment in statistical mechanics models. There are some approaches that introduce a cutoff in the interactions or make use of reaction field approaches. However, those treatments suffer the illness of being of limited use, in particular close to phase transitions. The use of open boundary conditions allows the sum of the long-range interactions over the entire system to be done, however, this approach demands a sum over all degrees of freedom in the system, which makes a numerical treatment prohibitive. Techniques like the Ewald summation or fast multipole expansion account for the exact interactions but are still limited to a few thousands of particles. In this paper we introduce a novel mean-field approach to treat long-range interactions. The method is based in the division of the system in cells. In the inner cell, that contains the particle in sight, the 'local' interactions are computed exactly, the 'far' contributions are then computed as the average over the particles inside a given cell with the particle in sight for each of the remaining cells. Using this approach, the large and small cells limits are exact. At a fixed cell size, the method also becomes exact in the limit of large lattices. We have applied the procedure to the two-dimensional anisotropic dipolar Heisenberg model. A detailed comparison between our method, the exact calculation and the cutoff radius approximation were done. Our results show that the cutoff-cell approach outperforms any cutoff radius approach as it maintains the long-range memory present in these interactions, contrary to the cutoff radius approximation. Besides that, we calculated the critical temperature and the critical behavior of the specific heat of the anisotropic Heisenberg model using our method. The results are in excellent agreement with extensive Monte Carlo simulations using Ewald summation.

  18. Transversal magnetotransport in Weyl semimetals: Exact numerical approach

    Science.gov (United States)

    Behrends, Jan; Kunst, Flore K.; Sbierski, Björn

    2018-02-01

    Magnetotransport experiments on Weyl semimetals are essential for investigating the intriguing topological and low-energy properties of Weyl nodes. If the transport direction is perpendicular to the applied magnetic field, experiments have shown a large positive magnetoresistance. In this work we present a theoretical scattering matrix approach to transversal magnetotransport in a Weyl node. Our numerical method confirms and goes beyond the existing perturbative analytical approach by treating disorder exactly. It is formulated in real space and is applicable to mesoscopic samples as well as in the bulk limit. In particular, we study the case of clean and strongly disordered samples.

  19. Elementary exact calculations of degree growth and entropy for discrete equations.

    Science.gov (United States)

    Halburd, R G

    2017-05-01

    Second-order discrete equations are studied over the field of rational functions [Formula: see text], where z is a variable not appearing in the equation. The exact degree of each iterate as a function of z can be calculated easily using the standard calculations that arise in singularity confinement analysis, even when the singularities are not confined. This produces elementary yet rigorous entropy calculations.

  20. Nonlinear reaction-diffusion equations with delay: some theorems, test problems, exact and numerical solutions

    Science.gov (United States)

    Polyanin, A. D.; Sorokin, V. G.

    2017-12-01

    The paper deals with nonlinear reaction-diffusion equations with one or several delays. We formulate theorems that allow constructing exact solutions for some classes of these equations, which depend on several arbitrary functions. Examples of application of these theorems for obtaining new exact solutions in elementary functions are provided. We state basic principles of construction, selection, and use of test problems for nonlinear partial differential equations with delay. Some test problems which can be suitable for estimating accuracy of approximate analytical and numerical methods of solving reaction-diffusion equations with delay are presented. Some examples of numerical solutions of nonlinear test problems with delay are considered.

  1. Exact Controllability of a Piezoelectric Body. Theory and Numerical Simulation

    International Nuclear Information System (INIS)

    Miara, Bernadette; Muench, Arnaud

    2009-01-01

    We study the exact controllability of a three-dimensional body made of a material whose constitutive law introduces an elasticity-electricity coupling. We show that a coupled elastic-electric control acting on the whole boundary of the body drives the system to rest after time large enough. Two-dimensional numerical experiments suggest that controllability can still be achieved by relaxing this restrictive condition using either both controls on a reduced support or elastic control alone

  2. Numerical calculations near spatial infinity

    International Nuclear Information System (INIS)

    Zenginoglu, Anil

    2007-01-01

    After describing in short some problems and methods regarding the smoothness of null infinity for isolated systems, I present numerical calculations in which both spatial and null infinity can be studied. The reduced conformal field equations based on the conformal Gauss gauge allow us in spherical symmetry to calculate numerically the entire Schwarzschild-Kruskal spacetime in a smooth way including spacelike, null and timelike infinity and the domain close to the singularity

  3. Exact milestoning

    International Nuclear Information System (INIS)

    Bello-Rivas, Juan M.; Elber, Ron

    2015-01-01

    A new theory and an exact computer algorithm for calculating kinetics and thermodynamic properties of a particle system are described. The algorithm avoids trapping in metastable states, which are typical challenges for Molecular Dynamics (MD) simulations on rough energy landscapes. It is based on the division of the full space into Voronoi cells. Prior knowledge or coarse sampling of space points provides the centers of the Voronoi cells. Short time trajectories are computed between the boundaries of the cells that we call milestones and are used to determine fluxes at the milestones. The flux function, an essential component of the new theory, provides a complete description of the statistical mechanics of the system at the resolution of the milestones. We illustrate the accuracy and efficiency of the exact Milestoning approach by comparing numerical results obtained on a model system using exact Milestoning with the results of long trajectories and with a solution of the corresponding Fokker-Planck equation. The theory uses an equation that resembles the approximate Milestoning method that was introduced in 2004 [A. K. Faradjian and R. Elber, J. Chem. Phys. 120(23), 10880-10889 (2004)]. However, the current formulation is exact and is still significantly more efficient than straightforward MD simulations on the system studied

  4. Numerical calculations in quantum field theories

    International Nuclear Information System (INIS)

    Rebbi, C.

    1984-01-01

    Four lecture notes are included: (1) motivation for numerical calculations in Quantum Field Theory; (2) numerical simulation methods; (3) Monte Carlo studies of Quantum Chromo Dynamics; and (4) systems with fermions. 23 references

  5. Numerical challenges of short range wake field calculations

    Energy Technology Data Exchange (ETDEWEB)

    Lau, Thomas; Gjonaj, Erion; Weiland, Thomas [Technische Universitaet Darmstadt (Germany). Institut fuer Theorie Elektromagnetischer Felder (TEMF)

    2011-07-01

    For present and future accelerator projects with ultra short bunches the accurate and reliable calculation of short range wake fields is an important issue. However, the numerical calculation of short range wake fields is a numerical challenging task. The presentation gives an overview over the numerical challenges and techniques for short range wake field calculations. Finally, some simulation results obtained by the program PBCI developed at the TU Darmstadt are presented.

  6. Multilocus lod scores in large pedigrees: combination of exact and approximate calculations.

    Science.gov (United States)

    Tong, Liping; Thompson, Elizabeth

    2008-01-01

    To detect the positions of disease loci, lod scores are calculated at multiple chromosomal positions given trait and marker data on members of pedigrees. Exact lod score calculations are often impossible when the size of the pedigree and the number of markers are both large. In this case, a Markov Chain Monte Carlo (MCMC) approach provides an approximation. However, to provide accurate results, mixing performance is always a key issue in these MCMC methods. In this paper, we propose two methods to improve MCMC sampling and hence obtain more accurate lod score estimates in shorter computation time. The first improvement generalizes the block-Gibbs meiosis (M) sampler to multiple meiosis (MM) sampler in which multiple meioses are updated jointly, across all loci. The second one divides the computations on a large pedigree into several parts by conditioning on the haplotypes of some 'key' individuals. We perform exact calculations for the descendant parts where more data are often available, and combine this information with sampling of the hidden variables in the ancestral parts. Our approaches are expected to be most useful for data on a large pedigree with a lot of missing data. (c) 2007 S. Karger AG, Basel

  7. Efficient Calculation of Exact Exchange Within the Quantum Espresso Software Package

    Science.gov (United States)

    Barnes, Taylor; Kurth, Thorsten; Carrier, Pierre; Wichmann, Nathan; Prendergast, David; Kent, Paul; Deslippe, Jack

    Accurate simulation of condensed matter at the nanoscale requires careful treatment of the exchange interaction between electrons. In the context of plane-wave DFT, these interactions are typically represented through the use of approximate functionals. Greater accuracy can often be obtained through the use of functionals that incorporate some fraction of exact exchange; however, evaluation of the exact exchange potential is often prohibitively expensive. We present an improved algorithm for the parallel computation of exact exchange in Quantum Espresso, an open-source software package for plane-wave DFT simulation. Through the use of aggressive load balancing and on-the-fly transformation of internal data structures, our code exhibits speedups of approximately an order of magnitude for practical calculations. Additional optimizations are presented targeting the many-core Intel Xeon-Phi ``Knights Landing'' architecture, which largely powers NERSC's new Cori system. We demonstrate the successful application of the code to difficult problems, including simulation of water at a platinum interface and computation of the X-ray absorption spectra of transition metal oxides.

  8. Exact and microscopic one-instanton calculations in N=2 supersymmetric Yang-Mills theories

    International Nuclear Information System (INIS)

    Ito, K.; Sasakura, N.

    1997-01-01

    We study the low-energy effective theory in N=2 super Yang-Mills theories by microscopic and exact approaches. We calculate the one-instanton correction to the prepotential for any simple Lie group from the microscopic approach. We also study the Picard-Fuchs equations and their solutions in the semi-classical regime for classical gauge groups with rank r≤3. We find that for gauge groups G=A r , B r , C r (r≤3) the microscopic results agree with those from the exact solutions. (orig.)

  9. Almost Surely Asymptotic Stability of Exact and Numerical Solutions for Neutral Stochastic Pantograph Equations

    Directory of Open Access Journals (Sweden)

    Zhanhua Yu

    2011-01-01

    Full Text Available We study the almost surely asymptotic stability of exact solutions to neutral stochastic pantograph equations (NSPEs, and sufficient conditions are obtained. Based on these sufficient conditions, we show that the backward Euler method (BEM with variable stepsize can preserve the almost surely asymptotic stability. Numerical examples are demonstrated for illustration.

  10. Time domain numerical calculations of the short electron bunch wakefields in resistive structures

    Energy Technology Data Exchange (ETDEWEB)

    Tsakanian, Andranik

    2010-10-15

    The acceleration of electron bunches with very small longitudinal and transverse phase space volume is one of the most actual challenges for the future International Linear Collider and high brightness X-Ray Free Electron Lasers. The exact knowledge on the wake fields generated by the ultra-short electron bunches during its interaction with surrounding structures is a very important issue to prevent the beam quality degradation and to optimize the facility performance. The high accuracy time domain numerical calculations play the decisive role in correct evaluation of the wake fields in advanced accelerators. The thesis is devoted to the development of a new longitudinally dispersion-free 3D hybrid numerical scheme in time domain for wake field calculation of ultra short bunches in structures with walls of finite conductivity. The basic approaches used in the thesis to solve the problem are the following. For materials with high but finite conductivity the model of the plane wave reflection from a conducting half-space is used. It is shown that in the conductive half-space the field components perpendicular to the interface can be neglected. The electric tangential component on the surface contributes to the tangential magnetic field in the lossless area just before the boundary layer. For high conducting media, the task is reduced to 1D electromagnetic problem in metal and the so-called 1D conducting line model can be applied instead of a full 3D space description. Further, a TE/TM (''transverse electric - transverse magnetic'') splitting implicit numerical scheme along with 1D conducting line model is applied to develop a new longitudinally dispersion-free hybrid numerical scheme in the time domain. The stability of the new hybrid numerical scheme in vacuum, conductor and bound cell is studied. The convergence of the new scheme is analyzed by comparison with the well-known analytical solutions. The wakefield calculations for a number of

  11. Exact calculation of three-body contact interaction to second order

    International Nuclear Information System (INIS)

    Kaiser, N.

    2012-01-01

    For a system of fermions with a three-body contact interaction the second-order contributions to the energy per particle anti E(k f ) are calculated exactly. The three-particle scattering amplitude in the medium is derived in closed analytical form from the corresponding two-loop rescattering diagram. We compare the (genuine) second-order three-body contribution to anti E(k f )∝k f 10 with the second-order term due to the density-dependent effective two-body interaction, and find that the latter term dominates. The results of the present study are of interest for nuclear many-body calculations where chiral three-nucleon forces are treated beyond leading order via a density-dependent effective two-body interaction. (orig.)

  12. Numerical Activities and Information Learned at Home Link to the Exact Numeracy Skills in 5–6 Years-Old Children

    Science.gov (United States)

    Benavides-Varela, Silvia; Butterworth, Brian; Burgio, Francesca; Arcara, Giorgio; Lucangeli, Daniela; Semenza, Carlo

    2016-01-01

    It is currently accepted that certain activities within the family environment contribute to develop early numerical skills before schooling. However, it is unknown whether this early experience influences both the exact and the approximate representation of numbers, and if so, which is more important for numerical tasks. In the present study the mathematical performance of 110 children (mean age 5 years 11 months) was evaluated using a battery that included tests of approximate and exact numerical abilities, as well as everyday numerical problems. Moreover, children were assessed on their knowledge of number information learned at home. The parents of the participants provided information regarding daily activities of the children and socio-demographic characteristics of the family. The results showed that the amount of numerical information learned at home was a significant predictor of participants' performance on everyday numerical problems and exact number representations, even after taking account of age, memory span and socio-economic and educational status of the family. We also found that particular activities, such as board games, correlate with the children's counting skills, which are foundational for arithmetic. Crucially, tests relying on approximate representations were not predicted by the numerical knowledge acquired at home. The present research supports claims about the importance and nature of home experiences in the child's acquisition of mathematics. PMID:26903902

  13. Toward Exact Number: Young Children Use One-to-one Correspondence to Measure Set Identity but not Numerical Equality

    Science.gov (United States)

    Izard, Véronique; Streri, Arlette; Spelke, Elizabeth S.

    2014-01-01

    Exact integer concepts are fundamental to a wide array of human activities, but their origins are obscure. Some have proposed that children are endowed with a system of natural number concepts, whereas others have argued that children construct these concepts by mastering verbal counting or other numeric symbols. This debate remains unresolved, because it is difficult to test children’s mastery of the logic of integer concepts without using symbols to enumerate large sets, and the symbols themselves could be a source of difficulty for children. Here, we introduce a new method, focusing on large quantities and avoiding the use of words or other symbols for numbers, to study children’s understanding of an essential property underlying integer concepts: the relation of exact numerical equality. Children aged 32-36 months, who possessed no symbols for exact numbers beyond 4, were given one-to-one correspondence cues to help them track a set of puppets, and their enumeration of the set was assessed by a non-verbal manual search task. Children used one-to-one correspondence relations to reconstruct exact quantities in sets of 5 or 6 objects, as long as the elements forming the sets remained the same individuals. In contrast, they failed to track exact quantities when one element was added, removed, or substituted for another. These results suggest an alternative to both nativist and symbol-based constructivist theories of the development of natural number concepts: Before learning symbols for exact numbers, children have a partial understanding of the properties of exact numbers. PMID:24680885

  14. Implementing Families of Implicit Chebyshev Methods with Exact Coefficients for the Numerical Integration of First- and Second-Order Differential Equations

    National Research Council Canada - National Science Library

    Mitchell, Jason

    2002-01-01

    A method is presented for the generation of exact numerical coefficients found in two families of implicit Chebyshev methods for the numerical integration of first- and second-order ordinary differential equations...

  15. Using monomer vibrational wavefunctions to compute numerically exact (12D) rovibrational levels of water dimer

    Science.gov (United States)

    Wang, Xiao-Gang; Carrington, Tucker

    2018-02-01

    We compute numerically exact rovibrational levels of water dimer, with 12 vibrational coordinates, on the accurate CCpol-8sf ab initio flexible monomer potential energy surface [C. Leforestier et al., J. Chem. Phys. 137, 014305 (2012)]. It does not have a sum-of-products or multimode form and therefore quadrature in some form must be used. To do the calculation, it is necessary to use an efficient basis set and to develop computational tools, for evaluating the matrix-vector products required to calculate the spectrum, that obviate the need to store the potential on a 12D quadrature grid. The basis functions we use are products of monomer vibrational wavefunctions and standard rigid-monomer basis functions (which involve products of three Wigner functions). Potential matrix-vector products are evaluated using the F matrix idea previously used to compute rovibrational levels of 5-atom and 6-atom molecules. When the coupling between inter- and intra-monomer coordinates is weak, this crude adiabatic type basis is efficient (only a few monomer vibrational wavefunctions are necessary), although the calculation of matrix elements is straightforward. It is much easier to use than an adiabatic basis. The product structure of the basis is compatible with the product structure of the kinetic energy operator and this facilitates computation of matrix-vector products. Compared with the results obtained using a [6 + 6]D adiabatic approach, we find good agreement for the inter-molecular levels and larger differences for the intra-molecular water bend levels.

  16. Risk approximation in decision making: approximative numeric abilities predict advantageous decisions under objective risk.

    Science.gov (United States)

    Mueller, Silke M; Schiebener, Johannes; Delazer, Margarete; Brand, Matthias

    2018-01-22

    Many decision situations in everyday life involve mathematical considerations. In decisions under objective risk, i.e., when explicit numeric information is available, executive functions and abilities to handle exact numbers and ratios are predictors of objectively advantageous choices. Although still debated, exact numeric abilities, e.g., normative calculation skills, are assumed to be related to approximate number processing skills. The current study investigates the effects of approximative numeric abilities on decision making under objective risk. Participants (N = 153) performed a paradigm measuring number-comparison, quantity-estimation, risk-estimation, and decision-making skills on the basis of rapid dot comparisons. Additionally, a risky decision-making task with exact numeric information was administered, as well as tasks measuring executive functions and exact numeric abilities, e.g., mental calculation and ratio processing skills, were conducted. Approximative numeric abilities significantly predicted advantageous decision making, even beyond the effects of executive functions and exact numeric skills. Especially being able to make accurate risk estimations seemed to contribute to superior choices. We recommend approximation skills and approximate number processing to be subject of future investigations on decision making under risk.

  17. Electron transfer dynamics: Zusman equation versus exact theory

    International Nuclear Information System (INIS)

    Shi Qiang; Chen Liping; Nan Guangjun; Xu Ruixue; Yan Yijing

    2009-01-01

    The Zusman equation has been widely used to study the effect of solvent dynamics on electron transfer reactions. However, application of this equation is limited by the classical treatment of the nuclear degrees of freedom. In this paper, we revisit the Zusman equation in the framework of the exact hierarchical equations of motion formalism, and show that a high temperature approximation of the hierarchical theory is equivalent to the Zusman equation in describing electron transfer dynamics. Thus the exact hierarchical formalism naturally extends the Zusman equation to include quantum nuclear dynamics at low temperatures. This new finding has also inspired us to rescale the original hierarchical equations and incorporate a filtering algorithm to efficiently propagate the hierarchical equations. Numerical exact results are also presented for the electron transfer reaction dynamics and rate constant calculations.

  18. Large scale exact quantum dynamics calculations: Ten thousand quantum states of acetonitrile

    Science.gov (United States)

    Halverson, Thomas; Poirier, Bill

    2015-03-01

    'Exact' quantum dynamics (EQD) calculations of the vibrational spectrum of acetonitrile (CH3CN) are performed, using two different methods: (1) phase-space-truncated momentum-symmetrized Gaussian basis and (2) correlated truncated harmonic oscillator basis. In both cases, a simple classical phase space picture is used to optimize the selection of individual basis functions-leading to drastic reductions in basis size, in comparison with existing methods. Massive parallelization is also employed. Together, these tools-implemented into a single, easy-to-use computer code-enable a calculation of tens of thousands of vibrational states of CH3CN to an accuracy of 0.001-10 cm-1.

  19. Tunneling dynamics in open ultracold bosonic systems. Numerically exact dynamics - Analytical models - Control schemes

    International Nuclear Information System (INIS)

    Lode, Axel U.J.

    2013-01-01

    This thesis explores the quantum many-body tunneling dynamics of open ultracold bosonic systems with the recently developed multiconfigurational time-dependent Hartree for bosons (MCTDHB) method. The capabilities of MCTDHB to provide solutions to the full time-dependent many-body problem are assessed in a benchmark using the analytically solvable harmonic interaction Hamiltonian and a generalization of it with time-dependent both one- and two-body potentials. In a comparison with numerically exact MCTDHB results, it is shown that e.g. lattice methods fail qualitatively to describe the tunneling dynamics. A model assembling the many-body physics of the process from basic simultaneously happening single-particle processes is derived and verified with a numerically exact MCTDHB description. The generality of the model is demonstrated even for strong interactions and large particle numbers. The ejection of the bosons from the source occurs with characteristic velocities. These velocities are defined by the chemical potentials of systems with different particle numbers which are converted to kinetic energy. The tunneling process is accompanied by fragmentation: the ejected bosons lose their coherence with the source and among each other. It is shown that the various aspects of the tunneling dynamics' can be controlled well with the interaction and the potential threshold.

  20. Tunneling dynamics in open ultracold bosonic systems. Numerically exact dynamics - Analytical models - Control schemes

    Energy Technology Data Exchange (ETDEWEB)

    Lode, Axel U.J.

    2013-06-03

    This thesis explores the quantum many-body tunneling dynamics of open ultracold bosonic systems with the recently developed multiconfigurational time-dependent Hartree for bosons (MCTDHB) method. The capabilities of MCTDHB to provide solutions to the full time-dependent many-body problem are assessed in a benchmark using the analytically solvable harmonic interaction Hamiltonian and a generalization of it with time-dependent both one- and two-body potentials. In a comparison with numerically exact MCTDHB results, it is shown that e.g. lattice methods fail qualitatively to describe the tunneling dynamics. A model assembling the many-body physics of the process from basic simultaneously happening single-particle processes is derived and verified with a numerically exact MCTDHB description. The generality of the model is demonstrated even for strong interactions and large particle numbers. The ejection of the bosons from the source occurs with characteristic velocities. These velocities are defined by the chemical potentials of systems with different particle numbers which are converted to kinetic energy. The tunneling process is accompanied by fragmentation: the ejected bosons lose their coherence with the source and among each other. It is shown that the various aspects of the tunneling dynamics' can be controlled well with the interaction and the potential threshold.

  1. PLNoise: a package for exact numerical simulation of power-law noises

    Science.gov (United States)

    Milotti, Edoardo

    2006-08-01

    Many simulations of stochastic processes require colored noises: here I describe a small program library that generates samples with a tunable power-law spectral density: the algorithm can be modified to generate more general colored noises, and is exact for all time steps, even when they are unevenly spaced (as may often happen in the case of astronomical data, see e.g. [N.R. Lomb, Astrophys. Space Sci. 39 (1976) 447]. The method is exact in the sense that it reproduces a process that is theoretically guaranteed to produce a range-limited power-law spectrum 1/f with -1uk/summaries/ADXV_v1_0.html Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: none Programming language used: ANSI C Computer: Any computer with an ANSI C compiler: the package has been tested with gcc version 3.2.3 on Red Hat Linux 3.2.3-52 and gcc version 4.0.0 and 4.0.1 on Apple Mac OS X-10.4 Operating system: All operating systems capable of running an ANSI C compiler No. of lines in distributed program, including test data, etc.:6238 No. of bytes in distributed program, including test data, etc.:52 387 Distribution format:tar.gz RAM: The code of the test program is very compact (about 50 Kbytes), but the program works with list management and allocates memory dynamically; in a typical run (like the one discussed in Section 4 in the long write-up) with average list length 2ṡ10, the RAM taken by the list is 200 Kbytes. External routines: The package needs external routines to generate uniform and exponential deviates. The implementation described here uses the random number generation library ranlib freely available from Netlib [B.W. Brown, J. Lovato, K. Russell, ranlib, available from Netlib, http://www.netlib.org/random/index.html, select the C version ranlib.c], but it has also been successfully tested with the random number routines in Numerical Recipes [W.H. Press, S.A. Teulkolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes

  2. Numerical study of the t-J model: Exact ground state and flux phases

    International Nuclear Information System (INIS)

    Hasegawa, Y.; Poilblanc, D.

    1990-01-01

    Strongly correlated 2D electrons described by the t-J model are investigated numerically. Exact ground state for one and two holes in a finite cluster with periodic boundary conditions are obtained by using the Lanczos algorithm. The effects of Coulomb repulsion of the holes on the nearest neighbor sites are taken into account. Commensurate flux phases are investigated for the same size of clusters. They are shown to be a good approximation for the ground state specially in the intermediate value of J/t. (author). 21 refs, 3 figs

  3. Numerical Uncertainty Analysis for Computational Fluid Dynamics using Student T Distribution -- Application of CFD Uncertainty Analysis Compared to Exact Analytical Solution

    Science.gov (United States)

    Groves, Curtis E.; Ilie, marcel; Shallhorn, Paul A.

    2014-01-01

    Computational Fluid Dynamics (CFD) is the standard numerical tool used by Fluid Dynamists to estimate solutions to many problems in academia, government, and industry. CFD is known to have errors and uncertainties and there is no universally adopted method to estimate such quantities. This paper describes an approach to estimate CFD uncertainties strictly numerically using inputs and the Student-T distribution. The approach is compared to an exact analytical solution of fully developed, laminar flow between infinite, stationary plates. It is shown that treating all CFD input parameters as oscillatory uncertainty terms coupled with the Student-T distribution can encompass the exact solution.

  4. Numerically Exact Calculation of Rovibrational Levels of Cl^-H_2O

    Science.gov (United States)

    Wang, Xiao-Gang; Carrington, Tucker

    2014-06-01

    Large amplitude vibrations of Van der Waals clusters are important because they reveal large regions of a potential energy surface (PES). To calculate spectra of Van der Waals clusters it is common to use an adiabatic approximation. When coupling between intra- and inter-molecular coordinates is important non-adiabatic coupling cannot be neglected and it is therefore critical to develop and test theoretical methods that couple both types of coordinates. We have developed new product basis and contracted basis Lanczos methods for Van der Waals complexes and tested them by computing rovibrational energy levels of Cl^-H_2O. The new product basis is made of functions of the inter-monomer distance, Wigner functions that depend on Euler angles specifying the orientation of H_2O with respect to a frame attached to the inter-monomer Jacobi vector, basis functions for H_2O vibration, and Wigner functions that depend on Euler angles specifying the orientation of the inter-monomer Jacobi vector with respect to a space-fixed frame. An advantage of this product basis is that it can be used to make an efficient contracted basis by replacing the vibrational basis functions for the monomer with monomer vibrational wavefunctions. Due to weak coupling between intra- and inter-molecular coordinates, only a few tens of monomer vibrational wavefunctions are necessary. The validity of the two new methods is established by comparing energy levels with benchmark rovibrational levels obtained with polyspherical coordinates and spherical harmonic type basis functions. For all bases, product structure is exploited to calculate eigenvalues with the Lanczos algorithm. For Cl^-H_2O, we are able, for the first time, to compute accurate splittings due to tunnelling between the two equivalent C_s minima. We use the PES of Rheinecker and Bowman (RB). Our results are in good agreement with experiment for the five fundamental bands observed. J. Rheinecker and J. M. Bowman, J. Chem. Phys. 124 131102

  5. Asymptotically exact calculation of the exchange energies of one-active-electron diatomic ions with the surface integral method

    International Nuclear Information System (INIS)

    Scott, Tony C; Aubert-Frecon, Monique; Hadinger, Gisele; Andrae, Dirk; Grotendorst, Johannes; III, John D Morgan

    2004-01-01

    We present a general procedure, based on the Holstein-Herring method, for calculating exactly the leading term in the exponentially small exchange energy splitting between two asymptotically degenerate states of a diatomic molecule or molecular ion. The general formulae we have derived are shown to reduce correctly to the previously known exact results for the specific cases of the lowest Σ and Π states of H + 2 . We then apply our general formulae to calculate the exchange energy splittings between the lowest states of the diatomic alkali cations K + 2 , Rb + 2 and Cs + 2 , which are isovalent to H + 2 . Our results are found to be in very good agreement with the best available experimental data and ab initio calculations

  6. Ability of aphasic individuals to perform numerical processing and calculation tasks

    Directory of Open Access Journals (Sweden)

    Gabriela De Luccia

    2014-03-01

    Full Text Available Objective To compare performance on EC301 battery calculation task between aphasic subjects and normal controls of the same sex, age, and education. Method Thirty-two aphasic patients who had suffered a single left hemisphere stroke were evaluated. Forty-four healthy volunteers were also selected. All subjects underwent a comprehensive arithmetic battery to assess their numerical and calculation skills. Performances on numerical processing and calculation tasks were then analyzed. Results Aphasic individuals showed changes in their ability to perform numerical processing and calculation tasks that were not observed in the healthy population. Conclusion Compared with healthy subjects of the same age and education level, individuals with aphasia had difficulty performing various tasks that involved numerical processing and calculation.

  7. Iterative optimized effective potential and exact exchange calculations at finite temperature

    International Nuclear Information System (INIS)

    Mattsson, Ann Elisabet; Modine, Normand Arthur; Muller, Richard Partain; Desjarlais, Michael Paul; Lippert, Ross A.; Sears, Mark P.; Wright, Alan Francis

    2006-01-01

    We report the implementation of an iterative scheme for calculating the Optimized Effective Potential (OEP). Given an energy functional that depends explicitly on the Kohn-Sham wave functions, and therefore, implicitly on the local effective potential appearing in the Kohn-Sham equations, a gradient-based minimization is used to find the potential that minimizes the energy. Previous work has shown how to find the gradient of such an energy with respect to the effective potential in the zero-temperature limit. We discuss a density-matrix-based derivation of the gradient that generalizes the previous results to the finite temperature regime, and we describe important optimizations used in our implementation. We have applied our OEP approach to the Hartree-Fock energy expression to perform Exact Exchange (EXX) calculations. We report our EXX results for common semiconductors and ordered phases of hydrogen at zero and finite electronic temperatures. We also discuss issues involved in the implementation of forces within the OEP/EXX approach.

  8. Stepwise optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    International Nuclear Information System (INIS)

    Frolov, A.M.

    1986-01-01

    The problem of exact variational calculations of few-particle systems in the exponential basis of the relative coordinates using nonlinear parameters is studied. The techniques of stepwise optimization and global chaos of nonlinear parameters are used to calculate the S and P states of homonuclear muonic molecules with an error of no more than +0.001 eV. The global-chaos technique also has proved to be successful in the case of the nuclear systems 3 H and 3 He

  9. A Lie-admissible method of integration of Fokker-Planck equations with non-linear coefficients (exact and numerical solutions)

    International Nuclear Information System (INIS)

    Fronteau, J.; Combis, P.

    1984-08-01

    A Lagrangian method is introduced for the integration of non-linear Fokker-Planck equations. Examples of exact solutions obtained in this way are given, and also the explicit scheme used for the computation of numerical solutions. The method is, in addition, shown to be of a Lie-admissible type

  10. Exact exchange plane-wave-pseudopotential calculations for slabs: Extending the width of the vacuum

    Science.gov (United States)

    Engel, Eberhard

    2018-04-01

    Standard plane-wave pseudopotential (PWPP) calculations for slabs such as graphene become extremely demanding, as soon as the exact exchange (EXX) of density functional theory is applied. Even if the Krieger-Li-Iafrate (KLI) approximation for the EXX potential is utilized, such EXX-PWPP calculations suffer from the fact that an accurate representation of the occupied states throughout the complete vacuum between the replicas of the slab is required. In this contribution, a robust and efficient extension scheme for the PWPP states is introduced, which ensures the correct exponential decay of the slab states in the vacuum for standard cutoff energies and therefore facilitates EXX-PWPP calculations for very wide vacua and rather thick slabs. Using this scheme, it is explicitly verified that the Slater component of the EXX/KLI potential decays as -1 /z over an extended region sufficiently far from the surface (assumed to be perpendicular to the z direction) and from the middle of the vacuum, thus reproducing the asymptotic behavior of the exact EXX potential of a single slab. The calculations also reveal that the orbital-shift component of the EXX/KLI potential is quite sizable in the asymptotic region. In spite of the long-range exchange potential, the replicas of the slab decouple rather quickly with increasing width of the vacuum. Relying on the identity of the work function with the Fermi energy obtained with a suitably normalized total potential, the present EXX/KLI calculations predict work functions for both graphene and the Si(111) surface which are substantially larger than the corresponding experimental data. Together with the size of the orbital-shift potential in the asymptotic region, the very large EXX/KLI work functions indicate a failure of the KLI approximation for nonmetallic slabs.

  11. Exact method for numerically analyzing a model of local denaturation in superhelically stressed DNA

    International Nuclear Information System (INIS)

    Fye, R.M.; Benham, C.J.

    1999-01-01

    Local denaturation, the separation at specific sites of the two strands comprising the DNA double helix, is one of the most fundamental processes in biology, required to allow the base sequence to be read both in DNA transcription and in replication. In living organisms this process can be mediated by enzymes which regulate the amount of superhelical stress imposed on the DNA. We present a numerically exact technique for analyzing a model of denaturation in superhelically stressed DNA. This approach is capable of predicting the locations and extents of transition in circular superhelical DNA molecules of kilobase lengths and specified base pair sequences. It can also be used for closed loops of DNA which are typically found in vivo to be kilobases long. The analytic method consists of an integration over the DNA twist degrees of freedom followed by the introduction of auxiliary variables to decouple the remaining degrees of freedom, which allows the use of the transfer matrix method. The algorithm implementing our technique requires O(N 2 ) operations and O(N) memory to analyze a DNA domain containing N base pairs. However, to analyze kilobase length DNA molecules it must be implemented in high precision floating point arithmetic. An accelerated algorithm is constructed by imposing an upper bound M on the number of base pairs that can simultaneously denature in a state. This accelerated algorithm requires O(MN) operations, and has an analytically bounded error. Sample calculations show that it achieves high accuracy (greater than 15 decimal digits) with relatively small values of M (M<0.05N) for kilobase length molecules under physiologically relevant conditions. Calculations are performed on the superhelical pBR322 DNA sequence to test the accuracy of the method. With no free parameters in the model, the locations and extents of local denaturation predicted by this analysis are in quantitatively precise agreement with in vitro experimental measurements

  12. Advanced numerical methods for three dimensional two-phase flow calculations

    Energy Technology Data Exchange (ETDEWEB)

    Toumi, I. [Laboratoire d`Etudes Thermiques des Reacteurs, Gif sur Yvette (France); Caruge, D. [Institut de Protection et de Surete Nucleaire, Fontenay aux Roses (France)

    1997-07-01

    This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses an extension of Roe`s method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations.

  13. Advanced numerical methods for three dimensional two-phase flow calculations

    International Nuclear Information System (INIS)

    Toumi, I.; Caruge, D.

    1997-01-01

    This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses an extension of Roe's method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations

  14. Numerical method for three dimensional steady-state two-phase flow calculations

    International Nuclear Information System (INIS)

    Raymond, P.; Toumi, I.

    1992-01-01

    This paper presents the numerical scheme which was developed for the FLICA-4 computer code to calculate three dimensional steady state two phase flows. This computer code is devoted to steady state and transient thermal hydraulics analysis of nuclear reactor cores 1,3 . The first section briefly describes the FLICA-4 flow modelling. Then in order to introduce the numerical method for steady state computations, some details are given about the implicit numerical scheme based upon an approximate Riemann solver which was developed for calculation of flow transients. The third section deals with the numerical method for steady state computations, which is derived from this previous general scheme and its optimization. We give some numerical results for steady state calculations and comparisons on required CPU time and memory for various meshing and linear system solvers

  15. Exact geodesic distances in FLRW spacetimes

    Science.gov (United States)

    Cunningham, William J.; Rideout, David; Halverson, James; Krioukov, Dmitri

    2017-11-01

    Geodesics are used in a wide array of applications in cosmology and astrophysics. However, it is not a trivial task to efficiently calculate exact geodesic distances in an arbitrary spacetime. We show that in spatially flat (3 +1 )-dimensional Friedmann-Lemaître-Robertson-Walker (FLRW) spacetimes, it is possible to integrate the second-order geodesic differential equations, and derive a general method for finding both timelike and spacelike distances given initial-value or boundary-value constraints. In flat spacetimes with either dark energy or matter, whether dust, radiation, or a stiff fluid, we find an exact closed-form solution for geodesic distances. In spacetimes with a mixture of dark energy and matter, including spacetimes used to model our physical universe, there exists no closed-form solution, but we provide a fast numerical method to compute geodesics. A general method is also described for determining the geodesic connectedness of an FLRW manifold, provided only its scale factor.

  16. Reactor Thermal Hydraulic Numerical Calculation And Modeling

    International Nuclear Information System (INIS)

    Duong Ngoc Hai; Dang The Ba

    2008-01-01

    In the paper the results of analysis of thermal hydraulic state models using the numerical codes such as COOLOD, EUREKA and RELAP5 for simulation of the reactor thermal hydraulic states are presented. The calculations, analyses of reactor thermal hydraulic state and safety were implemented using different codes. The received numerical results, which were compared each to other, to experiment measurement of Dalat (Vietnam) research reactor and published results, show their appropriateness and capacity for analyses of different appropriate cases. (author)

  17. Numerical calculation models of the elastoplastic response of a structure under seismic action

    International Nuclear Information System (INIS)

    Edjtemai, Nima.

    1982-06-01

    Two digital calculation models developed in this work have made it possible to analyze the exact dynamic behaviour of ductile structures with one or several degrees of liberty, during earthquakes. With the first model, response spectra were built in the linear and non-linear fields for different absorption and ductility values and two types of seismic accelerograms. The comparative study of these spectra made it possible to check the validity of certain hypotheses suggested for the construction of elastoplastic spectra from corresponding linear spectra. A simplified method of non-linear seismic calculation based on the modal analysis and the spectra of elastoplastic response was then applied to structures with a varying number of degrees of liberty. The results obtained in this manner were compared with those provided by an exact calculation provided by the second digital model developed by us [fr

  18. A numerical method for resonance integral calculations

    International Nuclear Information System (INIS)

    Tanbay, Tayfun; Ozgener, Bilge

    2013-01-01

    A numerical method has been proposed for resonance integral calculations and a cubic fit based on least squares approximation to compute the optimum Bell factor is given. The numerical method is based on the discretization of the neutron slowing down equation. The scattering integral is approximated by taking into account the location of the upper limit in energy domain. The accuracy of the method has been tested by performing computations of resonance integrals for uranium dioxide isolated rods and comparing the results with empirical values. (orig.)

  19. Comparison between phase shift derived and exactly calculated nucleon--nucleon interaction matrix elements

    International Nuclear Information System (INIS)

    Gregersen, A.W.

    1977-01-01

    A comparison is made between matrix elements calculated using the uncoupled channel Sussex approach to second order in DWBA and matrix elements calculated using a square well potential. The square well potential illustrated the problem of the determining parameter independence balanced with the concept of phase shift difference. The super-soft core potential was used to discuss the systematics of the Sussex approach as a function of angular momentum as well as the relation between Sussex generated and effective interaction matrix elements. In the uncoupled channels the original Sussex method of extracting effective interaction matrix elements was found to be satisfactory. In the coupled channels emphasis was placed upon the 3 S 1 -- 3 D 1 coupled channel matrix elements. Comparison is made between exactly calculated matrix elements, and matrix elements derived using an extended formulation of the coupled channel Sussex method. For simplicity the potential used is a nonseparable cut-off oscillator. The eigenphases of this potential can be made to approximate the realistic nucleon--nucleon phase shifts at low energies. By using the cut-off oscillator test potential, the original coupled channel Sussex method of determining parameter independence was shown to be incapable of accurately reproducing the exact cut-off oscillator matrix elements. The extended Sussex method was found to be accurate to within 10 percent. The extended method is based upon more general coupled channel DWBA and a noninfinite oscillator wave function solution to the cut-off oscillator auxiliary potential. A comparison is made in the coupled channels between matrix elements generated using the original Sussex method and the extended method. Tables of matrix elements generated using the original uncoupled channel Sussex method and the extended coupled channel Sussex method are presented for all necessary angular momentum channels

  20. Strong-coupling expansion for the momentum distribution of the Bose-Hubbard model with benchmarking against exact numerical results

    International Nuclear Information System (INIS)

    Freericks, J. K.; Krishnamurthy, H. R.; Kato, Yasuyuki; Kawashima, Naoki; Trivedi, Nandini

    2009-01-01

    A strong-coupling expansion for the Green's functions, self-energies, and correlation functions of the Bose-Hubbard model is developed. We illustrate the general formalism, which includes all possible (normal-phase) inhomogeneous effects in the formalism, such as disorder or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator-to-superfluid transition along with a generalization of the random-phase-approximation-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions. The accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott-phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling-theory results are benchmarked against numerically exact quantum Monte Carlo simulations in two and three dimensions and against density-matrix renormalization-group calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.

  1. Numerical precision calculations for LHC physics

    International Nuclear Information System (INIS)

    Reuschle, Christian Andreas

    2013-01-01

    In this thesis I present aspects of QCD calculations, which are related to the fully numerical evaluation of next-to-leading order (NLO) QCD amplitudes, especially of the one-loop contributions, and the efficient computation of associated collider observables. Two interrelated topics have thereby been of concern to the thesis at hand, which give rise to two major parts. One large part is focused on the general group-theoretical behavior of one-loop QCD amplitudes, with respect to the underlying SU(N c ) theory, in order to correctly and efficiently handle the color degrees of freedom in QCD one-loop amplitudes. To this end a new method is introduced that can be used in order to express color-ordered partial one-loop amplitudes with multiple quark-antiquark pairs as shuffle sums over cyclically ordered primitive one-loop amplitudes. The other large part is focused on the local subtraction of divergences off the one-loop integrands of primitive one-loop amplitudes. A method for local UV renormalization has thereby been developed, which uses local UV counterterms and efficient recursive routines. Together with suitable virtual soft and collinear subtraction terms, the subtraction method is extended to the virtual contributions in the calculations of NLO observables, which enables the fully numerical evaluation of the one-loop integrals in the virtual contributions. The method has been successfully applied to the calculation of jet rates in electron-positron annihilation to NLO accuracy in the large-N c limit.

  2. Numerical precision calculations for LHC physics

    Energy Technology Data Exchange (ETDEWEB)

    Reuschle, Christian Andreas

    2013-02-05

    In this thesis I present aspects of QCD calculations, which are related to the fully numerical evaluation of next-to-leading order (NLO) QCD amplitudes, especially of the one-loop contributions, and the efficient computation of associated collider observables. Two interrelated topics have thereby been of concern to the thesis at hand, which give rise to two major parts. One large part is focused on the general group-theoretical behavior of one-loop QCD amplitudes, with respect to the underlying SU(N{sub c}) theory, in order to correctly and efficiently handle the color degrees of freedom in QCD one-loop amplitudes. To this end a new method is introduced that can be used in order to express color-ordered partial one-loop amplitudes with multiple quark-antiquark pairs as shuffle sums over cyclically ordered primitive one-loop amplitudes. The other large part is focused on the local subtraction of divergences off the one-loop integrands of primitive one-loop amplitudes. A method for local UV renormalization has thereby been developed, which uses local UV counterterms and efficient recursive routines. Together with suitable virtual soft and collinear subtraction terms, the subtraction method is extended to the virtual contributions in the calculations of NLO observables, which enables the fully numerical evaluation of the one-loop integrals in the virtual contributions. The method has been successfully applied to the calculation of jet rates in electron-positron annihilation to NLO accuracy in the large-N{sub c} limit.

  3. Numerical calculations in elementary quantum mechanics using Feynman path integrals

    International Nuclear Information System (INIS)

    Scher, G.; Smith, M.; Baranger, M.

    1980-01-01

    We show that it is possible to do numerical calculations in elementary quantum mechanics using Feynman path integrals. Our method involves discretizing both time and space, and summing paths through matrix multiplication. We give numerical results for various one-dimensional potentials. The calculations of energy levels and wavefunctions take approximately 100 times longer than with standard methods, but there are other problems for which such an approach should be more efficient

  4. Effect of dietary regime on metabolic control in phenylketonuria: Is exact calculation of phenylalanine intake really necessary?

    Directory of Open Access Journals (Sweden)

    Carmen Rohde

    2015-12-01

    Conclusion: Exact calculation of Phe content of all food is not necessary to achieve good metabolic control in children and adolescents with PKU. Excluding special low protein food, as well as fruit and vegetables from calculation of Phe-intake has no impact on metabolic control. However including protein rich food into the diet and simply estimating all Phe-intake appears insufficient. The simplification of dietary regime may be helpful in enhancing acceptability and feasibility.

  5. On the Differences Between the Drucker-Prager Criterion and Exact Implementation of the Mohr-Coulomb Criterion in FEM Calculations

    DEFF Research Database (Denmark)

    Clausen, Johan; Andersen, Lars; Damkilde, Lars

    2010-01-01

    This paper compares calculation results obtained with the Mohr-Coulomb and Drucker-Prager material models. The models are implemented in a finite element code and the exact models are used, i.e. no rounding of yield surface corners or apices is performed. Results for both 2D and 3D calculations a...

  6. Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. III. Exact stochastic path integral evaluation.

    Science.gov (United States)

    Moix, Jeremy M; Ma, Jian; Cao, Jianshu

    2015-03-07

    A numerically exact path integral treatment of the absorption and emission spectra of open quantum systems is presented that requires only the straightforward solution of a stochastic differential equation. The approach converges rapidly enabling the calculation of spectra of large excitonic systems across the complete range of system parameters and for arbitrary bath spectral densities. With the numerically exact absorption and emission operators, one can also immediately compute energy transfer rates using the multi-chromophoric Förster resonant energy transfer formalism. Benchmark calculations on the emission spectra of two level systems are presented demonstrating the efficacy of the stochastic approach. This is followed by calculations of the energy transfer rates between two weakly coupled dimer systems as a function of temperature and system-bath coupling strength. It is shown that the recently developed hybrid cumulant expansion (see Paper II) is the only perturbative method capable of generating uniformly reliable energy transfer rates and emission spectra across a broad range of system parameters.

  7. Pressure of a partially ionized hydrogen gas: numerical results from exact low temperature expansions

    Energy Technology Data Exchange (ETDEWEB)

    Alastuey, A. [Laboratoire de Physique, ENS Lyon, CNRS, Lyon (France); Ballenegger, V. [Institut UTINAM, Universite de Franche-Comte, CNRS, Besancon (France)

    2010-01-15

    We consider a partially ionized hydrogen gas at low densities, where it reduces almost to an ideal mixture made with hydrogen atoms in their ground-state, ionized protons and ionized electrons. By performing systematic low-temperature expansions within the physical picture, in which the system is described as a quantum electron-proton plasma interacting via the Coulomb potential, exact formulae for the first.ve leading corrections to the ideal Saha equation of state have been derived[A. Alastuey, V. Ballenegger et al., J. Stat. Phys. 130, 1119 (2008)]. Those corrections account for all effects of interactions and thermal excitations up to order exp(E{sub H} /kT) included, where E{sub H} {approx_equal} -13.6 eV is the ground state energy of the hydrogen atom. Among the.ve leading corrections, three are easy to evaluate, while the remaining ones involve suitably truncated internal partition functions of H{sub 2} molecules and H{sup -} and H{sub 2}{sup +} ions, for which no analytical formulae are available in closed form. We estimate those partitions functions at.nite temperature via a simple phenomenology based on known values of rotational and vibrational energies. This allows us to compute numerically the leading deviations to the Saha pressure along several isotherms and isochores. Our values are compared with those of the OPAL tables (for pure hydrogen) calculated within the ACTEX method (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Numerical Integration Techniques for Curved-Element Discretizations of Molecule–Solvent Interfaces

    Science.gov (United States)

    Bardhan, Jaydeep P.; Altman, Michael D.; Willis, David J.; Lippow, Shaun M.; Tidor, Bruce; White, Jacob K.

    2012-01-01

    Surface formulations of biophysical modeling problems offer attractive theoretical and computational properties. Numerical simulations based on these formulations usually begin with discretization of the surface under consideration; often, the surface is curved, possessing complicated structure and possibly singularities. Numerical simulations commonly are based on approximate, rather than exact, discretizations of these surfaces. To assess the strength of the dependence of simulation accuracy on the fidelity of surface representation, we have developed methods to model several important surface formulations using exact surface discretizations. Following and refining Zauhar’s work (J. Comp.-Aid. Mol. Des. 9:149-159, 1995), we define two classes of curved elements that can exactly discretize the van der Waals, solvent-accessible, and solvent-excluded (molecular) surfaces. We then present numerical integration techniques that can accurately evaluate nonsingular and singular integrals over these curved surfaces. After validating the exactness of the surface discretizations and demonstrating the correctness of the presented integration methods, we present a set of calculations that compare the accuracy of approximate, planar-triangle-based discretizations and exact, curved-element-based simulations of surface-generalized-Born (sGB), surface-continuum van der Waals (scvdW), and boundary-element method (BEM) electrostatics problems. Results demonstrate that continuum electrostatic calculations with BEM using curved elements, piecewise-constant basis functions, and centroid collocation are nearly ten times more accurate than planartriangle BEM for basis sets of comparable size. The sGB and scvdW calculations give exceptional accuracy even for the coarsest obtainable discretized surfaces. The extra accuracy is attributed to the exact representation of the solute–solvent interface; in contrast, commonly used planar-triangle discretizations can only offer improved

  9. Exact calculation of loop formation probability identifies folding motifs in RNA secondary structures

    Science.gov (United States)

    Sloma, Michael F.; Mathews, David H.

    2016-01-01

    RNA secondary structure prediction is widely used to analyze RNA sequences. In an RNA partition function calculation, free energy nearest neighbor parameters are used in a dynamic programming algorithm to estimate statistical properties of the secondary structure ensemble. Previously, partition functions have largely been used to estimate the probability that a given pair of nucleotides form a base pair, the conditional stacking probability, the accessibility to binding of a continuous stretch of nucleotides, or a representative sample of RNA structures. Here it is demonstrated that an RNA partition function can also be used to calculate the exact probability of formation of hairpin loops, internal loops, bulge loops, or multibranch loops at a given position. This calculation can also be used to estimate the probability of formation of specific helices. Benchmarking on a set of RNA sequences with known secondary structures indicated that loops that were calculated to be more probable were more likely to be present in the known structure than less probable loops. Furthermore, highly probable loops are more likely to be in the known structure than the set of loops predicted in the lowest free energy structures. PMID:27852924

  10. Mean field approximation versus exact treatment of collisions in few-body systems

    International Nuclear Information System (INIS)

    Lemm, J.; Weiguny, A.; Giraud, B.G.

    1990-01-01

    A variational principle for calculating matrix elements of the full resolvent operator for a many-body system is studied. Its mean field approximation results in non-linear equations of Hartree (-Fock) type, with initial and final channel wave functions as driving terms. The mean field equations will in general have many solutions whereas the exact problem being linear, has a unique solution. In a schematic model with separable forces the mean field equations are analytically soluble, and for the exact problem the resulting integral equations are solved numerically. Comparing exact and mean field results over a wide range of system parameters, the mean field approach proves to be a very reliable approximation, which is not plagued by the notorious problem of defining asymptotic channels in the time-dependent mean field method. (orig.)

  11. Exact shock profile for the ASEP with sublattice-parallel update

    International Nuclear Information System (INIS)

    Jafarpour, F H; Ghafari, F E; Masharian, S R

    2005-01-01

    We analytically study the one-dimensional asymmetric simple exclusion process with open boundaries under sublattice-parallel updating scheme. We investigate the stationary state properties of this model conditioned on finding a given particle number in the system. Recent numerical investigations have shown that the model possesses three different phases in this case. Using a matrix product method we calculate both the exact canonical partition function and also density profiles of the particles in each phase. Application of the Yang-Lee theory reveals that the model undergoes two second-order phase transitions at critical points. These results confirm the correctness of our previous numerical studies

  12. Optics of Water Microdroplets with Soot Inclusions: Exact Versus Approximate Results

    Science.gov (United States)

    Liu, Li; Mishchenko, Michael I.

    2016-01-01

    We use the recently generalized version of the multi-sphere superposition T-matrix method (STMM) to compute the scattering and absorption properties of microscopic water droplets contaminated by black carbon. The soot material is assumed to be randomly distributed throughout the droplet interior in the form of numerous small spherical inclusions. Our numerically-exact STMM results are compared with approximate ones obtained using the Maxwell-Garnett effective-medium approximation (MGA) and the Monte Carlo ray-tracing approximation (MCRTA). We show that the popular MGA can be used to calculate the droplet optical cross sections, single-scattering albedo, and asymmetry parameter provided that the soot inclusions are quasi-uniformly distributed throughout the droplet interior, but can fail in computations of the elements of the scattering matrix depending on the volume fraction of soot inclusions. The integral radiative characteristics computed with the MCRTA can deviate more significantly from their exact STMM counterparts, while accurate MCRTA computations of the phase function require droplet size parameters substantially exceeding 60.

  13. Step-by-step optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    International Nuclear Information System (INIS)

    Frolov, A.M.

    1986-01-01

    Exact variational calculations are treated for few-particle systems in the exponential basis of relative coordinates using nonlinear parameters. The methods of step-by-step optimization and global chaos of nonlinear parameters are applied to calculate the S and P states of ppμ, ddμ, ttμ homonuclear mesomolecules within the error ≤±0.001 eV. The global chaos method turned out to be well applicable to nuclear 3 H and 3 He systems

  14. Three identical particles on a line: comparison of some exact and approximate calculations

    International Nuclear Information System (INIS)

    Chuluunbaatar, O.; Gusev, A.A.; Vinitsky, S.I.; Larsen, S.Y.

    2002-01-01

    The three-body scattering problem is formulated in the adiabatic representation as a multi-channel spectral problem for a set of coupled one-dimensional integral equations. New stable variational-iteration schemes are developed to calculate the Hamiltonian eigenfunctions and energy eigenvalues, as well as the reaction matrix in the eigenphase shift representation, with prescribed accuracy. The convergence and efficiency of the method are demonstrated in the vicinity of the three-body threshold in the exactly solvable model of three identical particles fixed on a line and coupled with pair-repulsive or attractive zero-range potentials. (author). Letter-to-the-editor

  15. Quasi-exact solvability and entropies of the one-dimensional regularised Calogero model

    Science.gov (United States)

    Pont, Federico M.; Osenda, Omar; Serra, Pablo

    2018-05-01

    The Calogero model can be regularised through the introduction of a cutoff parameter which removes the divergence in the interaction term. In this work we show that the one-dimensional two-particle regularised Calogero model is quasi-exactly solvable and that for certain values of the Hamiltonian parameters the eigenfunctions can be written in terms of Heun’s confluent polynomials. These eigenfunctions are such that the reduced density matrix of the two-particle density operator can be obtained exactly as well as its entanglement spectrum. We found that the number of non-zero eigenvalues of the reduced density matrix is finite in these cases. The limits for the cutoff distance going to zero (Calogero) and infinity are analysed and all the previously obtained results for the Calogero model are reproduced. Once the exact eigenfunctions are obtained, the exact von Neumann and Rényi entanglement entropies are studied to characterise the physical traits of the model. The quasi-exactly solvable character of the model is assessed studying the numerically calculated Rényi entropy and entanglement spectrum for the whole parameter space.

  16. Step-by-step optimization and global chaos of nonlinear parameters in exact calculations of few-particle systems

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, A M

    1986-09-01

    Exact variational calculations are treated for few-particle systems in the exponential basis of relative coordinates using nonlinear parameters. The methods of step-by-step optimization and global chaos of nonlinear parameters are applied to calculate the S and P states of pp..mu.., dd..mu.., tt..mu.. homonuclear mesomolecules within the error less than or equal to+-0.001 eV. The global chaos method turned out to be well applicable to nuclear /sup 3/H and /sup 3/He systems.

  17. Large-scale exact diagonalizations reveal low-momentum scales of nuclei

    Science.gov (United States)

    Forssén, C.; Carlsson, B. D.; Johansson, H. T.; Sääf, D.; Bansal, A.; Hagen, G.; Papenbrock, T.

    2018-03-01

    Ab initio methods aim to solve the nuclear many-body problem with controlled approximations. Virtually exact numerical solutions for realistic interactions can only be obtained for certain special cases such as few-nucleon systems. Here we extend the reach of exact diagonalization methods to handle model spaces with dimension exceeding 1010 on a single compute node. This allows us to perform no-core shell model (NCSM) calculations for 6Li in model spaces up to Nmax=22 and to reveal the 4He+d halo structure of this nucleus. Still, the use of a finite harmonic-oscillator basis implies truncations in both infrared (IR) and ultraviolet (UV) length scales. These truncations impose finite-size corrections on observables computed in this basis. We perform IR extrapolations of energies and radii computed in the NCSM and with the coupled-cluster method at several fixed UV cutoffs. It is shown that this strategy enables information gain also from data that is not fully UV converged. IR extrapolations improve the accuracy of relevant bound-state observables for a range of UV cutoffs, thus making them profitable tools. We relate the momentum scale that governs the exponential IR convergence to the threshold energy for the first open decay channel. Using large-scale NCSM calculations we numerically verify this small-momentum scale of finite nuclei.

  18. Numerical calculation of impurity charge state distributions

    International Nuclear Information System (INIS)

    Crume, E.C.; Arnurius, D.E.

    1977-09-01

    The numerical calculation of impurity charge state distributions using the computer program IMPDYN is discussed. The time-dependent corona atomic physics model used in the calculations is reviewed, and general and specific treatments of electron impact ionization and recombination are referenced. The complete program and two examples relating to tokamak plasmas are given on a microfiche so that a user may verify that his version of the program is working properly. In the discussion of the examples, the corona steady-state approximation is shown to have significant defects when the plasma environment, particularly the electron temperature, is changing rapidly

  19. Elements of calculation of reactivity by numerical processing

    International Nuclear Information System (INIS)

    Hedde, J.

    1968-01-01

    In order to explore the new opportunities provided by numerical techniques, the author describes the theoretical optimal conditions of a calculation in real time of reactivity from counting samples produced by a nuclear reactor. These optimal conditions can be the better approached if a more complex processing is adopted. A compromise is to be searched between the desired precision and simplicity of the numerical processing hardware. An example is reported to assess result accuracy on a wide power evolution range with a structure of reduced complexity [fr

  20. Patient safety: numerical skills and drug calculation abilities of nursing students and registered nurses.

    Science.gov (United States)

    McMullan, Miriam; Jones, Ray; Lea, Susan

    2010-04-01

    This paper is a report of a correlational study of the relations of age, status, experience and drug calculation ability to numerical ability of nursing students and Registered Nurses. Competent numerical and drug calculation skills are essential for nurses as mistakes can put patients' lives at risk. A cross-sectional study was carried out in 2006 in one United Kingdom university. Validated numerical and drug calculation tests were given to 229 second year nursing students and 44 Registered Nurses attending a non-medical prescribing programme. The numeracy test was failed by 55% of students and 45% of Registered Nurses, while 92% of students and 89% of nurses failed the drug calculation test. Independent of status or experience, older participants (> or = 35 years) were statistically significantly more able to perform numerical calculations. There was no statistically significant difference between nursing students and Registered Nurses in their overall drug calculation ability, but nurses were statistically significantly more able than students to perform basic numerical calculations and calculations for solids, oral liquids and injections. Both nursing students and Registered Nurses were statistically significantly more able to perform calculations for solids, liquid oral and injections than calculations for drug percentages, drip and infusion rates. To prevent deskilling, Registered Nurses should continue to practise and refresh all the different types of drug calculations as often as possible with regular (self)-testing of their ability. Time should be set aside in curricula for nursing students to learn how to perform basic numerical and drug calculations. This learning should be reinforced through regular practice and assessment.

  1. Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models

    Science.gov (United States)

    Merker, L.; Costi, T. A.

    2012-08-01

    We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp to be calculated accurately from local static correlation functions; specifically via Cimp=(∂Eionic)/(∂T)+(1)/(2)(∂Ehyb)/(∂T), where Eionic and Ehyb are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.

  2. Development of an atmospheric diffusion numerical model for a nuclear facility. Numerical calculation method incorporating building effects

    International Nuclear Information System (INIS)

    Sada, Koichi; Michioka, Takenobu; Ichikawa, Yoichi

    2002-01-01

    Because effluent gas is sometimes released from low positions, viz., near the ground surface and around buildings, the effects caused by buildings within the site area are not negligible for gas diffusion predictions. For these reasons, the effects caused by buildings for gas diffusion are considered under the terrain following calculation coordinate system in this report. Numerical calculation meshes on the ground surface are treated as the building with the adaptation of wall function techniques of turbulent quantities in the flow calculations using a turbulence closure model. The reflection conditions of released particles on building surfaces are taken into consideration in the diffusion calculation using the Lagrangian particle model. Obtained flow and diffusion calculation results are compared with those of wind tunnel experiments around the building. It was apparent that features observed in a wind tunnel, viz., the formation of cavity regions behind the building and the gas diffusion to the ground surface behind the building, are also obtained by numerical calculation. (author)

  3. Dissociation between exact and approximate addition in developmental dyslexia.

    Science.gov (United States)

    Yang, Xiujie; Meng, Xiangzhi

    2016-09-01

    Previous research has suggested that number sense and language are involved in number representation and calculation, in which number sense supports approximate arithmetic, and language permits exact enumeration and calculation. Meanwhile, individuals with dyslexia have a core deficit in phonological processing. Based on these findings, we thus hypothesized that children with dyslexia may exhibit exact calculation impairment while doing mental arithmetic. The reaction time and accuracy while doing exact and approximate addition with symbolic Arabic digits and non-symbolic visual arrays of dots were compared between typically developing children and children with dyslexia. Reaction time analyses did not reveal any differences across two groups of children, the accuracies, interestingly, revealed a distinction of approximation and exact addition across two groups of children. Specifically, two groups of children had no differences in approximation. Children with dyslexia, however, had significantly lower accuracy in exact addition in both symbolic and non-symbolic tasks than that of typically developing children. Moreover, linguistic performances were selectively associated with exact calculation across individuals. These results suggested that children with dyslexia have a mental arithmetic deficit specifically in the realm of exact calculation, while their approximation ability is relatively intact. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Hua-Gen, E-mail: hgy@bnl.gov [Division of Chemistry, Department of Energy and Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

    2016-08-28

    We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH{sub 4} and H{sub 2}CO are given, together with a comparison with previous results.

  5. Exact Optimum Design of Segmented Thermoelectric Generators

    Directory of Open Access Journals (Sweden)

    M. Zare

    2016-01-01

    Full Text Available A considerable difference between experimental and theoretical results has been observed in the studies of segmented thermoelectric generators (STEGs. Because of simplicity, the approximate methods are widely used for design and optimization of the STEGs. This study is focused on employment of exact method for design and optimization of STEGs and comparison of exact and approximate results. Thus, using new highly efficient thermoelectric materials, four STEGs are proposed to operate in the temperature range of 300 to 1300 kelvins. The proposed STEGs are optimally designed to achieve maximum efficiency. Design and performance characteristics of the optimized generators including maximum conversion efficiency and length of elements are calculated through both exact and approximate methods. The comparison indicates that the approximate method can cause a difference up to 20% in calculation of some design characteristics despite its appropriate results in efficiency calculation. The results also show that the maximum theoretical efficiency of 23.08% is achievable using the new proposed STEGs. Compatibility factor of the selected materials for the proposed STEGs is also calculated using both exact and approximate methods. The comparison indicates a negligible difference in calculation of compatibility factor, despite the considerable difference in calculation of reduced efficiency (temperature independence efficiency.

  6. Exact combinatorial approach to finite coagulating systems

    Science.gov (United States)

    Fronczak, Agata; Chmiel, Anna; Fronczak, Piotr

    2018-02-01

    This paper outlines an exact combinatorial approach to finite coagulating systems. In this approach, cluster sizes and time are discrete and the binary aggregation alone governs the time evolution of the systems. By considering the growth histories of all possible clusters, an exact expression is derived for the probability of a coagulating system with an arbitrary kernel being found in a given cluster configuration when monodisperse initial conditions are applied. Then this probability is used to calculate the time-dependent distribution for the number of clusters of a given size, the average number of such clusters, and that average's standard deviation. The correctness of our general expressions is proved based on the (analytical and numerical) results obtained for systems with the constant kernel. In addition, the results obtained are compared with the results arising from the solutions to the mean-field Smoluchowski coagulation equation, indicating its weak points. The paper closes with a brief discussion on the extensibility to other systems of the approach presented herein, emphasizing the issue of arbitrary initial conditions.

  7. Numerical calculation of two-phase flows

    International Nuclear Information System (INIS)

    Travis, J.R.; Harlow, F.H.; Amsden, A.A.

    1975-06-01

    The theoretical study of time-varying two-phase flow problems in several space dimensions introduces such a complicated set of coupled nonlinear partial differential equations that numerical solution procedures for high-speed computers are required in almost all but the simplest examples. Efficient attainment of realistic solutions for practical problems requires a finite- difference formulation that is simultaneously implicit in the treatment of mass convection, equations of state, and the momentum coupling between phases. Such a method is described, the equations on which it is based are discussed, and its properties are illustrated by means of examples. In particular, the capability for calculating physical instabilities and other time-varying dynamics, at the same time avoiding numerical instability is emphasized. The computer code is applicable to problems in reactor safety analysis, the dynamics of fluidized dust beds, raindrops or aerosol transport, and a variety of similar circumstances, including the effects of phase transitions and the release of latent heat or chemical energy. (U.S.)

  8. Calculating qP-wave traveltimes in 2-D TTI media by high-order fast sweeping methods with a numerical quartic equation solver

    Science.gov (United States)

    Han, Song; Zhang, Wei; Zhang, Jie

    2017-09-01

    A fast sweeping method (FSM) determines the first arrival traveltimes of seismic waves by sweeping the velocity model in different directions meanwhile applying a local solver. It is an efficient way to numerically solve Hamilton-Jacobi equations for traveltime calculations. In this study, we develop an improved FSM to calculate the first arrival traveltimes of quasi-P (qP) waves in 2-D tilted transversely isotropic (TTI) media. A local solver utilizes the coupled slowness surface of qP and quasi-SV (qSV) waves to form a quartic equation, and solve it numerically to obtain possible traveltimes of qP-wave. The proposed quartic solver utilizes Fermat's principle to limit the range of the possible solution, then uses the bisection procedure to efficiently determine the real roots. With causality enforced during sweepings, our FSM converges fast in a few iterations, and the exact number depending on the complexity of the velocity model. To improve the accuracy, we employ high-order finite difference schemes and derive the second-order formulae. There is no weak anisotropy assumption, and no approximation is made to the complex slowness surface of qP-wave. In comparison to the traveltimes calculated by a horizontal slowness shooting method, the validity and accuracy of our FSM is demonstrated.

  9. Computing exact bundle compliance control charts via probability generating functions.

    Science.gov (United States)

    Chen, Binchao; Matis, Timothy; Benneyan, James

    2016-06-01

    Compliance to evidenced-base practices, individually and in 'bundles', remains an important focus of healthcare quality improvement for many clinical conditions. The exact probability distribution of composite bundle compliance measures used to develop corresponding control charts and other statistical tests is based on a fairly large convolution whose direct calculation can be computationally prohibitive. Various series expansions and other approximation approaches have been proposed, each with computational and accuracy tradeoffs, especially in the tails. This same probability distribution also arises in other important healthcare applications, such as for risk-adjusted outcomes and bed demand prediction, with the same computational difficulties. As an alternative, we use probability generating functions to rapidly obtain exact results and illustrate the improved accuracy and detection over other methods. Numerical testing across a wide range of applications demonstrates the computational efficiency and accuracy of this approach.

  10. Advanced Dynamics Analytical and Numerical Calculations with MATLAB

    CERN Document Server

    Marghitu, Dan B

    2012-01-01

    Advanced Dynamics: Analytical and Numerical Calculations with MATLAB provides a thorough, rigorous presentation of kinematics and dynamics while using MATLAB as an integrated tool to solve problems. Topics presented are explained thoroughly and directly, allowing fundamental principles to emerge through applications from areas such as multibody systems, robotics, spacecraft and design of complex mechanical devices. This book differs from others in that it uses symbolic MATLAB for both theory and applications. Special attention is given to solutions that are solved analytically and numerically using MATLAB. The illustrations and figures generated with MATLAB reinforce visual learning while an abundance of examples offer additional support. This book also: Provides solutions analytically and numerically using MATLAB Illustrations and graphs generated with MATLAB reinforce visual learning for students as they study Covers modern technical advancements in areas like multibody systems, robotics, spacecraft and des...

  11. Advanced numerical methods for three dimensional two-phase flow calculations in PWR

    International Nuclear Information System (INIS)

    Toumi, I.; Gallo, D.; Royer, E.

    1997-01-01

    This paper is devoted to new numerical methods developed for three dimensional two-phase flow calculations. These methods are finite volume numerical methods. They are based on an extension of Roe's approximate Riemann solver to define convective fluxes versus mean cell quantities. To go forward in time, a linearized conservative implicit integrating step is used, together with a Newton iterative method. We also present here some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. This kind of numerical method, which is widely used for fluid dynamic calculations, is proved to be very efficient for the numerical solution to two-phase flow problems. This numerical method has been implemented for the three dimensional thermal-hydraulic code FLICA-4 which is mainly dedicated to core thermal-hydraulic transient and steady-state analysis. Hereafter, we will also find some results obtained for the EPR reactor running in a steady-state at 60% of nominal power with 3 pumps out of 4, and a thermal-hydraulic core analysis for a 1300 MW PWR at low flow steam-line-break conditions. (author)

  12. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Science.gov (United States)

    Simpson, Matthew J

    2015-01-01

    Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).

  13. On the theories, techniques, and computer codes used in numerical reactor criticality and burnup calculations

    International Nuclear Information System (INIS)

    El-Osery, I.A.

    1981-01-01

    The purpose of this paper is to discuss the theories, techniques and computer codes that are frequently used in numerical reactor criticality and burnup calculations. It is a part of an integrated nuclear reactor calculation scheme conducted by the Reactors Department, Inshas Nuclear Research Centre. The crude part in numerical reactor criticality and burnup calculations includes the determination of neutron flux distribution which can be obtained in principle as a solution of Boltzmann transport equation. Numerical methods used for solving transport equations are discussed. Emphasis are made on numerical techniques based on multigroup diffusion theory. These numerical techniques include nodal, modal, and finite difference ones. The most commonly known computer codes utilizing these techniques are reviewed. Some of the main computer codes that have been already developed at the Reactors Department and related to numerical reactor criticality and burnup calculations have been presented

  14. Comparing numerically exact and modelled static friction

    Directory of Open Access Journals (Sweden)

    Krengel Dominik

    2017-01-01

    Full Text Available Currently there exists no mechanically consistent “numerically exact” implementation of static and dynamic Coulomb friction for general soft particle simulations with arbitrary contact situations in two or three dimension, but only along one dimension. We outline a differential-algebraic equation approach for a “numerically exact” computation of friction in two dimensions and compare its application to the Cundall-Strack model in some test cases.

  15. Precise calculation of the transmission coefficient of a potential barrier. Study of the error in the B K W approximation; Calcul exact du coefficient de transmission d'une barriere de potentiel. Etude de l'erreur de l'approximation B K W

    Energy Technology Data Exchange (ETDEWEB)

    Jamet, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    Following on to work started in a previous report, the author carries out in the case of few examples, the calculation of the transmission coefficient T using accurate methods. He then deduces from this the error in the B K W method. The calculations are carried out for values of T ranging down to 10{sup -200}. The use of modern computers makes it possible to obtain values of T to eight decimal places in a few seconds and the practical advantage of the B K W approximation appears therefore considerably reduced. The author gives also a method which may be used for an exact calculation of the energy levels of a potential well. (author) [French] Poursuivant une etude commencee dans une note anterieure, l'auteur effectue, sur quelques exemples, le calcul du coefficient de transmission T par des methodes exactes. Il en deduit ensuite l'erreur de la methode B K W. Les calculs sont faits pour des valeurs de T allant jusqu'a 10{sup -200}. L'utilisation des machines a calculer modernes permettant d'obtenir en quelques secondes, la valeur de T avec 8 decimales exactes, l'interet pratique de l'approximation B K W semble considerablement diminue. L'auteur indique egalement une methode qui peut servir a calculer exactement les niveaux d'energie d'un puits de potentiel. (auteur)

  16. Hybrid numerical calculation method for bend waveguides

    OpenAIRE

    Garnier , Lucas; Saavedra , C.; Castro-Beltran , Rigoberto; Lucio , José Luis; Bêche , Bruno

    2017-01-01

    National audience; The knowledge of how the light will behave in a waveguide with a radius of curvature becomes more and more important because of the development of integrated photonics, which include ring micro-resonators, phasars, and other devices with a radius of curvature. This work presents a numerical calculation method to determine the eigenvalues and eigenvectors of curved waveguides. This method is a hybrid method which uses at first conform transformation of the complex plane gene...

  17. Distributed Sensor Network for meteorological observations and numerical weather Prediction Calculations

    Directory of Open Access Journals (Sweden)

    Á. Vas

    2013-06-01

    Full Text Available The prediction of weather generally means the solution of differential equations on the base of the measured initial conditions where the data of close and distant neighboring points are used for the calculations. It requires the maintenance of expensive weather stations and supercomputers. However, if weather stations are not only capable of measuring but can also communicate with each other, then these smart sensors can also be applied to run forecasting calculations. This applies the highest possible level of parallelization without the collection of measured data into one place. Furthermore, if more nodes are involved, the result becomes more accurate, but the computing power required from one node does not increase. Our Distributed Sensor Network for meteorological sensing and numerical weather Prediction Calculations (DSN-PC can be applied in several different areas where sensing and numerical calculations, even the solution of differential equations, are needed.

  18. Biased calculations: Numeric anchors influence answers to math equations

    Directory of Open Access Journals (Sweden)

    Andrew R. Smith

    2011-02-01

    Full Text Available People must often perform calculations in order to produce a numeric estimate (e.g., a grocery-store shopper estimating the total price of his or her shopping cart contents. The current studies were designed to test whether estimates based on calculations are influenced by comparisons with irrelevant anchors. Previous research has demonstrated that estimates across a wide range of contexts assimilate toward anchors, but none has examined estimates based on calculations. In two studies, we had participants compare the answers to math problems with anchors. In both studies, participants' estimates assimilated toward the anchor values. This effect was moderated by time limit such that the anchoring effects were larger when the participants' ability to engage in calculations was limited by a restrictive time limit.

  19. Exact Calculation of the Thermodynamics of Biomacromolecules on Cubic Recursive Lattice.

    Science.gov (United States)

    Huang, Ran

    The thermodynamics of biomacromolecules featured as foldable polymer with inner-linkage of hydrogen bonds, e. g. protein, RNA and DNA, play an impressive role in either physical, biological, and polymer sciences. By treating the foldable chains to be the two-tolerate self-avoiding trails (2T polymer), abstract lattice modeling of these complex polymer systems to approach their thermodynamics and subsequent bio-functional properties have been developed for decades. Among these works, the calculations modeled on Bethe and Husimi lattice have shown the excellence of being exactly solvable. Our project extended this effort into the 3D situation, i.e. the cubic recursive lattice. The preliminary exploration basically confirmed others' previous findings on the planar structure, that we have three phases in the grand-canonical phase diagram, with a 1st order transition between non-polymerized and polymer phases, and a 2nd order transition between two distinguishable polymer phases. However the hydrogen bond energy J, stacking energy ɛ, and chain rigidity energy H play more vigorous effects on the thermal behaviors, and this is hypothesized to be due to the larger number of possible configurations provided by the complicated 3D model. By the so far progress, the calculation of biomacromolecules may be applied onto more complex recursive lattices, such as the inhomogeneous lattice to describe the cross-dimensional situations, and beside the thermal properties of the 2T polymers, we may infer some interesting insights of the mysterious folding problem itself. National Natural Science Foundation of China.

  20. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Directory of Open Access Journals (Sweden)

    Matthew J Simpson

    Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i the rate at which the domain elongates, (ii the diffusivity associated with the spreading density profile, (iii the reaction rate, and (iv the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t.

  1. Determination of the exact range of the value of the parameter corresponding to chaos based on the Silnikov criterion

    International Nuclear Information System (INIS)

    Wei-Yi, Li; Qi-Chang, Zhang; Wei, Wang

    2010-01-01

    Based on the Silnikov criterion, this paper studies a chaotic system of cubic polynomial ordinary differential equations in three dimensions. Using the Cardano formula, it obtains the exact range of the value of the parameter corresponding to chaos by means of the centre manifold theory and the method of multiple scales combined with Floque theory. By calculating the manifold near the equilibrium point, the series expression of the homoclinic orbit is also obtained. The space trajectory and Lyapunov exponent are investigated via numerical simulation, which shows that there is a route to chaos through period-doubling bifurcation and that chaotic attractors exist in the system. The results obtained here mean that chaos occurred in the exact range given in this paper. Numerical simulations also verify the analytical results. (general)

  2. Analytical relativistic self-consistent-field calculations for atoms

    International Nuclear Information System (INIS)

    Barthelat, J.C.; Pelissier, M.; Durand, P.

    1980-01-01

    A new second-order representation of the Dirac equation is presented. This representation which is exact for a hydrogen atom is applied to approximate analytical self-consistent-field calculations for atoms. Results are given for the rare-gas atoms from helium to radon and for lead. The results compare favorably with numerical Dirac-Hartree-Fock solutions

  3. Numerical calculation of two phase flow in a shock tube

    International Nuclear Information System (INIS)

    Rivard, W.C.; Travis, J.R.; Torrey, M.D.

    1976-01-01

    Numerical calculations of the dynamics of initially saturated water-steam mixtures in a shock tube demonstrate the accuracy and efficiency of a new solution technique for the transient, two-dimensional, two-fluid equations. The dependence of the calculated results on time step and cell size are investigated. The effects of boiling and condensation on the flow physics suggest the merits of basic fluid dynamic measurements for the determination and evaluation of mass exchange models

  4. Numerical shoves and countershoves in electron transport calculations

    International Nuclear Information System (INIS)

    Filippone, W.L.

    1986-01-01

    The justification for applying the relatively complex (compared to S/sub n/) streaming ray (SR) algorithm to electron transport problems is its potential for doing rapid and accurate calculations. Because of the Lagrangian treatment of the cell-uncollided electrons, the only significant sources of error are the numerical treatment of the scattering kernel and the spatial differencing scheme used for the cell-collided electrons. Considerable progress has been made in reducing the former source of error. If one is willing to pay the price, the latter source of error can be reduced to any desired level by refining the mesh size or by using high-order differencing schemes. Here the method of numerical shoves and countershoves is introduced, which reduces spatial differencing errors using relatively little additional computational effort

  5. Exact numerical solutions of the Schrödinger equation for a two-dimensional exciton in a constant magnetic field of arbitrary strength

    Energy Technology Data Exchange (ETDEWEB)

    Hoang-Do, Ngoc-Tram [Department of Physics, Ho Chi Minh City University of Pedagogy 280, An Duong Vuong Street, District 5, Ho Chi Minh City (Viet Nam); Pham, Dang-Lan [Institute for Computational Science and Technology, Quang Trung Software Town, District 12, Ho Chi Minh City (Viet Nam); Le, Van-Hoang, E-mail: hoanglv@hcmup.edu.vn [Department of Physics, Ho Chi Minh City University of Pedagogy 280, An Duong Vuong Street, District 5, Ho Chi Minh City (Viet Nam)

    2013-08-15

    Exact numerical solutions of the Schrödinger equation for a two-dimensional exciton in a constant magnetic field of arbitrary strength are obtained for not only the ground state but also high excited states. Toward this goal, the operator method is developed by combining with the Levi-Civita transformation which transforms the problem under investigation into that of a two-dimensional anharmonic oscillator. This development of the non-perturbation method is significant because it can be applied to other problems of two-dimensional atomic systems. The obtained energies and wave functions set a new record for their precision of up to 20 decimal places. Analyzing the obtained data we also find an interesting result that exact analytical solutions exist at some values of magnetic field intensity.

  6. Exact numerical solutions of the Schrödinger equation for a two-dimensional exciton in a constant magnetic field of arbitrary strength

    International Nuclear Information System (INIS)

    Hoang-Do, Ngoc-Tram; Pham, Dang-Lan; Le, Van-Hoang

    2013-01-01

    Exact numerical solutions of the Schrödinger equation for a two-dimensional exciton in a constant magnetic field of arbitrary strength are obtained for not only the ground state but also high excited states. Toward this goal, the operator method is developed by combining with the Levi-Civita transformation which transforms the problem under investigation into that of a two-dimensional anharmonic oscillator. This development of the non-perturbation method is significant because it can be applied to other problems of two-dimensional atomic systems. The obtained energies and wave functions set a new record for their precision of up to 20 decimal places. Analyzing the obtained data we also find an interesting result that exact analytical solutions exist at some values of magnetic field intensity

  7. Numerically exact dynamics of the interacting many-body Schroedinger equation for Bose-Einstein condensates. Comparison to Bose-Hubbard and Gross-Pitaevskii theory

    Energy Technology Data Exchange (ETDEWEB)

    Sakmann, Kaspar

    2010-07-21

    In this thesis, the physics of trapped, interacting Bose-Einstein condensates is analyzed by solving the many-body Schroedinger equation. Particular emphasis is put on coherence, fragmentation and reduced density matrices. First, the ground state of a trapped Bose-Einstein condensate and its correlation functions are obtained. Then the dynamics of a bosonic Josephson junction is investigated by solving the time-dependent many-body Schroedinger equation numerically exactly. These are the first exact results in literature in this context. It is shown that the standard approximations of the field, Gross-Pitaevskii theory and the Bose-Hubbard model fail at weak interaction strength and within their range of expected validity. For stronger interactions the dynamics becomes strongly correlated and a new equilibration phenomenon is discovered. By comparison with exact results it is shown that a symmetry of the Bose- Hubbard model between attractive and repulsive interactions must be considered an artefact of the model. A conceptual innovation of this thesis are time-dependent Wannier functions. Equations of motion for time-dependent Wannier functions are derived from the variational principle. By comparison with exact results it is shown that lattice models can be greatly improved at little computational cost by letting the Wannier functions of a lattice model become time-dependent. (orig.)

  8. Exact results for survival probability in the multistate Landau-Zener model

    International Nuclear Information System (INIS)

    Volkov, M V; Ostrovsky, V N

    2004-01-01

    An exact formula is derived for survival probability in the multistate Landau-Zener model in the special case where the initially populated state corresponds to the extremal (maximum or minimum) slope of a linear diabatic potential curve. The formula was originally guessed by S Brundobler and V Elzer (1993 J. Phys. A: Math. Gen. 26 1211) based on numerical calculations. It is a simple generalization of the expression for the probability of diabatic passage in the famous two-state Landau-Zener model. Our result is obtained via analysis and summation of the entire perturbation theory series

  9. The exact mass-gaps of the principal chiral models

    CERN Document Server

    Hollowood, Timothy J

    1994-01-01

    An exact expression for the mass-gap, the ratio of the physical particle mass to the $\\Lambda$-parameter, is found for the principal chiral sigma models associated to all the classical Lie algebras. The calculation is based on a comparison of the free-energy in the presence of a source coupling to a conserved charge of the theory computed in two ways: via the thermodynamic Bethe Ansatz from the exact scattering matrix and directly in perturbation theory. The calculation provides a non-trivial test of the form of the exact scattering matrix.

  10. Numerical Calculation of the Output Power of a MHD Generator

    Directory of Open Access Journals (Sweden)

    Adrian CARABINEANU

    2014-12-01

    Full Text Available Using Lazăr Dragoş’s analytic solution for the electric potential we perform some numerical calculations in order to find the characteristics of a Faraday magnetohydrodymamics (MHD power generator (total power, useful power and Joule dissipation power.

  11. Comparison of results of experimental research with numerical calculations of a model one-sided seal

    Directory of Open Access Journals (Sweden)

    Joachimiak Damian

    2015-06-01

    Full Text Available Paper presents the results of experimental and numerical research of a model segment of a labyrinth seal for a different wear level. The analysis covers the extent of leakage and distribution of static pressure in the seal chambers and the planes upstream and downstream of the segment. The measurement data have been compared with the results of numerical calculations obtained using commercial software. Based on the flow conditions occurring in the area subjected to calculations, the size of the mesh defined by parameter y+ has been analyzed and the selection of the turbulence model has been described. The numerical calculations were based on the measurable thermodynamic parameters in the seal segments of steam turbines. The work contains a comparison of the mass flow and distribution of static pressure in the seal chambers obtained during the measurement and calculated numerically in a model segment of the seal of different level of wear.

  12. Numerical Calculation of the Peaking Factor of a Water-Cooled W/Cu Monoblock for a Divertor

    International Nuclear Information System (INIS)

    Han Le; Chang Haiping; Zhang Jingyang; Xu Tiejun

    2015-01-01

    In order to accurately predict the incident critical heat flux (ICHF, the heat flux at the heated surface when CHF occurs) of a water-cooled W/Cu monoblock for a divertor, the exact knowledge of its peaking factors (f p ) under one-sided heating conditions with different design parameters is a key issue. In this paper, the heat conduction in the solid domain of a water-cooled W/Cu monoblock is calculated numerically by assuming the local heat transfer coefficients (HTC) of the cooling wall to be functions of the local wall temperature, so as to obtain f p . The reliability of the calculation method is validated by an experimental example result, with the maximum error of 2.1% only. The effects of geometric and flow parameters on the f p of a water-cooled W/Cu monoblock are investigated. Within the scope of this study, it is shown that the f p increases with increasing dimensionless W/Cu monoblock width and armour thickness (the shortest distance between the heated surface and Cu layer), and the maximum increases are 43.8% and 22.4% respectively. The dimensionless W/Cu monoblock height and Cu thickness have little effect on f p . The increase of Reynolds number and Jakob number causes the increase of f p , and the maximum increases are 6.8% and 9.6% respectively. Based on the calculated results, an empirical correlation on peaking factor is obtained via regression. These results provide a valuable reference for the thermal-hydraulic design of water-cooled divertors. (paper)

  13. Coalescent: an open-source and scalable framework for exact calculations in coalescent theory

    Science.gov (United States)

    2012-01-01

    Background Currently, there is no open-source, cross-platform and scalable framework for coalescent analysis in population genetics. There is no scalable GUI based user application either. Such a framework and application would not only drive the creation of more complex and realistic models but also make them truly accessible. Results As a first attempt, we built a framework and user application for the domain of exact calculations in coalescent analysis. The framework provides an API with the concepts of model, data, statistic, phylogeny, gene tree and recursion. Infinite-alleles and infinite-sites models are considered. It defines pluggable computations such as counting and listing all the ancestral configurations and genealogies and computing the exact probability of data. It can visualize a gene tree, trace and visualize the internals of the recursion algorithm for further improvement and attach dynamically a number of output processors. The user application defines jobs in a plug-in like manner so that they can be activated, deactivated, installed or uninstalled on demand. Multiple jobs can be run and their inputs edited. Job inputs are persisted across restarts and running jobs can be cancelled where applicable. Conclusions Coalescent theory plays an increasingly important role in analysing molecular population genetic data. Models involved are mathematically difficult and computationally challenging. An open-source, scalable framework that lets users immediately take advantage of the progress made by others will enable exploration of yet more difficult and realistic models. As models become more complex and mathematically less tractable, the need for an integrated computational approach is obvious. Object oriented designs, though has upfront costs, are practical now and can provide such an integrated approach. PMID:23033878

  14. Coalescent: an open-source and scalable framework for exact calculations in coalescent theory

    Directory of Open Access Journals (Sweden)

    Tewari Susanta

    2012-10-01

    Full Text Available Abstract Background Currently, there is no open-source, cross-platform and scalable framework for coalescent analysis in population genetics. There is no scalable GUI based user application either. Such a framework and application would not only drive the creation of more complex and realistic models but also make them truly accessible. Results As a first attempt, we built a framework and user application for the domain of exact calculations in coalescent analysis. The framework provides an API with the concepts of model, data, statistic, phylogeny, gene tree and recursion. Infinite-alleles and infinite-sites models are considered. It defines pluggable computations such as counting and listing all the ancestral configurations and genealogies and computing the exact probability of data. It can visualize a gene tree, trace and visualize the internals of the recursion algorithm for further improvement and attach dynamically a number of output processors. The user application defines jobs in a plug-in like manner so that they can be activated, deactivated, installed or uninstalled on demand. Multiple jobs can be run and their inputs edited. Job inputs are persisted across restarts and running jobs can be cancelled where applicable. Conclusions Coalescent theory plays an increasingly important role in analysing molecular population genetic data. Models involved are mathematically difficult and computationally challenging. An open-source, scalable framework that lets users immediately take advantage of the progress made by others will enable exploration of yet more difficult and realistic models. As models become more complex and mathematically less tractable, the need for an integrated computational approach is obvious. Object oriented designs, though has upfront costs, are practical now and can provide such an integrated approach.

  15. Numerical calculation of economic uncertainty by intervals and fuzzy numbers

    DEFF Research Database (Denmark)

    Schjær-Jacobsen, Hans

    2010-01-01

    This paper emphasizes that numerically correct calculation of economic uncertainty with intervals and fuzzy numbers requires implementation of global optimization techniques in contrast to straightforward application of interval arithmetic. This is demonstrated by both a simple case from managerial...... World Academic Press, UK. All rights reserved....

  16. Experimental verification of numerical calculations of railway passenger seats

    Science.gov (United States)

    Ligaj, B.; Wirwicki, M.; Karolewska, K.; Jasińska, A.

    2018-04-01

    The construction of railway seats is based on industry regulations and the requirements of end users, i.e. passengers. The two main documents in this context are the UIC 566 (3rd Edition, dated 7 January 1994) and the EN 12663-1: 2010+A1:2014. The study was to carry out static load tests of passenger seat frames. The paper presents the construction of the test bench and the results of experimental and numerical studies of passenger seat rail frames. The test bench consists of a frame, a transverse beam, two electric cylinders with a force value of 6 kN, and a strain gauge amplifier. It has a modular structure that allows for its expansion depending on the structure of the seats. Comparing experimental results with numerical results for points A and B allowed to determine the existing differences. It follows from it that higher stress values are obtained by numerical calculations in the range of 0.2 MPa to 35.9 MPa.

  17. Solar neutrino masses and mixing from bilinear R-parity broken supersymmetry: Analytical versus numerical results

    Science.gov (United States)

    Díaz, M.; Hirsch, M.; Porod, W.; Romão, J.; Valle, J.

    2003-07-01

    We give an analytical calculation of solar neutrino masses and mixing at one-loop order within bilinear R-parity breaking supersymmetry, and compare our results to the exact numerical calculation. Our method is based on a systematic perturbative expansion of R-parity violating vertices to leading order. We find in general quite good agreement between the approximate and full numerical calculations, but the approximate expressions are much simpler to implement. Our formalism works especially well for the case of the large mixing angle Mikheyev-Smirnov-Wolfenstein solution, now strongly favored by the recent KamLAND reactor neutrino data.

  18. Numerical calculations on heterogeneity of groundwater flow

    International Nuclear Information System (INIS)

    Follin, S.

    1992-01-01

    The upscaling of model parameters is a key issue in many research fields concerned with parameter heterogeneity. The upscaling process allows for fewer model blocks and relaxes the numerical problems caused by high contrasts in the hydraulic conductivity. The trade-offs are dependent on the object but the general drawback is an increasing uncertainty about the representativeness. The present study deals with numerical calculations of heterogeneity of groundwater flow and solute transport in hypothetical blocks of fractured hard rock in a '3m scale' and addresses both conceptual and practical problems in numerical simulation. Evidence that the hydraulic conductivity (K) of the rock mass between major fracture zones is highly heterogeneous in a 3m scale is provided by a large number of field investigations. The present uses the documented heterogeneity and investigates flow and transport in a two-dimensional stochastic continuum characterized by a variance in Y = In(K) of σ y 2 = 16, corresponding to about 12 log 10 cycles in K. The study considers anisotropy, channelling, non-Fickian and Fickian transport, and conditional simulation. The major conclusions are: * heterogeneity gives rise to anisotropy in the upscaling process, * the choice of support scale is crucial for the modelling of solute transport. As a consequence of the obtained results, a two-dimensional stochastic discontinuum model is presented, which provides a tool for linking stochastic continuum models to discrete fracture network models. (au) (14 figs., 136 refs.)

  19. Multishell method: Exact treatment of a cluster in an effective medium

    International Nuclear Information System (INIS)

    Gonis, A.; Garland, J.W.

    1977-01-01

    A method is presented for the exact determination of the Green's function of a cluster embedded in a given effective medium. This method, the multishell method, is applicable even to systems with off-diagonal disorder, extended-range hopping, multiple bands, and/or hybridization, and is computationally practicable for any system described by a tight-binding or interpolation-scheme Hamiltonian. It allows one to examine the effects of local environment on the densities of states and site spectral weight functions of disordered systems. For any given analytic effective medium characterized by a non-negative density of states the method yields analytic cluster Green's functions and non-negative site spectral weight functions. Previous methods used for the calculation of the Green's function of a cluster embedded in a given effective medium have not been exact. The results of numerical calculations for model systems show that even the best of these previous methods can lead to substantial errors, at least for small clusters in two- and three-dimensional lattices. These results also show that fluctuations in local environment have large effects on site spectral weight functions, even in cases in which the single-site coherent-potential approximation yields an accurate overall density of states

  20. Exact-to-precision generalized perturbation theory for source-driven systems

    International Nuclear Information System (INIS)

    Wang Congjian; Abdel-Khalik, Hany S.

    2011-01-01

    Highlights: ► We present a new development in higher order generalized perturbation theory. ► The method addresses the explosion in the flux phase space, input parameters, and responses. ► The method hybridizes first-order GPT and proper orthogonal decomposition snapshots method. ► A simplified 1D and realistic 2D assembly models demonstrate applicability of the method. ► The accuracy of the method is compared to exact direct perturbations and first-order GPT. - Abstract: Presented in this manuscript are new developments to perturbation theory which are intended to extend its applicability to estimate, with quantifiable accuracy, the exact variations in all responses calculated by the model with respect to all possible perturbations in the model's input parameters. The new developments place high premium on reducing the associated computational overhead in order to enable the use of perturbation theory in routine reactor design calculations. By way of examples, these developments could be employed in core simulation to accurately estimate the few-group cross-sections variations resulting from perturbations in neutronics and thermal-hydraulics core conditions. These variations are currently being described using a look-up table approach, where thousands of assembly calculations are performed to capture few-group cross-sections variations for the downstream core calculations. Other applications include the efficient evaluation of surrogates for applications that require repeated model runs such as design optimization, inverse studies, uncertainty quantification, and online core monitoring. The theoretical background of these developments applied to source-driven systems and supporting numerical experiments are presented in this manuscript. Extension to eigenvalue problems will be presented in a future article.

  1. Numerical relativity

    International Nuclear Information System (INIS)

    Piran, T.

    1982-01-01

    There are many recent developments in numerical relativity, but there remain important unsolved theoretical and practical problems. The author reviews existing numerical approaches to solution of the exact Einstein equations. A framework for classification and comparison of different numerical schemes is presented. Recent numerical codes are compared using this framework. The discussion focuses on new developments and on currently open questions, excluding a review of numerical techniques. (Auth.)

  2. Calculating Quenching Weights

    CERN Document Server

    Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim

    2003-01-01

    We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...

  3. A numerical calculation method of environmental impacts for the deep sea mining industry - a review.

    Science.gov (United States)

    Ma, Wenbin; van Rhee, Cees; Schott, Dingena

    2018-03-01

    Since the gradual decrease of mineral resources on-land, deep sea mining (DSM) is becoming an urgent and important emerging activity in the world. However, until now there has been no commercial scale DSM project in progress. Together with the reasons of technological feasibility and economic profitability, the environmental impact is one of the major parameters hindering its industrialization. Most of the DSM environmental impact research focuses on only one particular aspect ignoring that all the DSM environmental impacts are related to each other. The objective of this work is to propose a framework for the numerical calculation methods of the integrated DSM environmental impacts through a literature review. This paper covers three parts: (i) definition and importance description of different DSM environmental impacts; (ii) description of the existing numerical calculation methods for different environmental impacts; (iii) selection of a numerical calculation method based on the selected criteria. The research conducted in this paper provides a clear numerical calculation framework for DSM environmental impact and could be helpful to speed up the industrialization process of the DSM industry.

  4. MATH: A Scientific Tool for Numerical Methods Calculation and Visualization

    Directory of Open Access Journals (Sweden)

    Henrich Glaser-Opitz

    2016-02-01

    Full Text Available MATH is an easy to use application for various numerical methods calculations with graphical user interface and integrated plotting tool written in Qt with extensive use of Qwt library for plotting options and use of Gsl and MuParser libraries as a numerical and parser helping libraries. It can be found at http://sourceforge.net/projects/nummath. MATH is a convenient tool for use in education process because of its capability of showing every important step in solution process to better understand how it is done. MATH also enables fast comparison of similar method speed and precision.

  5. Exact Finite-Difference Schemes for d-Dimensional Linear Stochastic Systems with Constant Coefficients

    Directory of Open Access Journals (Sweden)

    Peng Jiang

    2013-01-01

    Full Text Available The authors attempt to construct the exact finite-difference schemes for linear stochastic differential equations with constant coefficients. The explicit solutions to Itô and Stratonovich linear stochastic differential equations with constant coefficients are adopted with the view of providing exact finite-difference schemes to solve them. In particular, the authors utilize the exact finite-difference schemes of Stratonovich type linear stochastic differential equations to solve the Kubo oscillator that is widely used in physics. Further, the authors prove that the exact finite-difference schemes can preserve the symplectic structure and first integral of the Kubo oscillator. The authors also use numerical examples to prove the validity of the numerical methods proposed in this paper.

  6. Accuracy requirements for the calculation of gravitational waveforms from coalescing compact binaries in numerical relativity

    International Nuclear Information System (INIS)

    Miller, Mark

    2005-01-01

    I discuss the accuracy requirements on numerical relativity calculations of inspiraling compact object binaries whose extracted gravitational waveforms are to be used as templates for matched filtering signal extraction and physical parameter estimation in modern interferometric gravitational wave detectors. Using a post-Newtonian point particle model for the premerger phase of the binary inspiral, I calculate the maximum allowable errors for the mass and relative velocity and positions of the binary during numerical simulations of the binary inspiral. These maximum allowable errors are compared to the errors of state-of-the-art numerical simulations of multiple-orbit binary neutron star calculations in full general relativity, and are found to be smaller by several orders of magnitude. A post-Newtonian model for the error of these numerical simulations suggests that adaptive mesh refinement coupled with second-order accurate finite difference codes will not be able to robustly obtain the accuracy required for reliable gravitational wave extraction on Terabyte-scale computers. I conclude that higher-order methods (higher-order finite difference methods and/or spectral methods) combined with adaptive mesh refinement and/or multipatch technology will be needed for robustly accurate gravitational wave extraction from numerical relativity calculations of binary coalescence scenarios

  7. Numerical kinematic transformation calculations for a parallel link manipulator

    International Nuclear Information System (INIS)

    Killough, S.M.

    1993-01-01

    Parallel link manipulators are often considered for particular robotic applications because of the unique advantages they provide. Unfortunately, they have significant disadvantages with respect to calculating the kinematic transformations because of the high-order equations that must be solved. Presented is a manipulator design that exploits the mechanical advantages of parallel links yet also has a corresponding numerical kinematic solution that can be solved in real time on common microcomputers

  8. New version of PLNoise: a package for exact numerical simulation of power-law noises

    Science.gov (United States)

    Milotti, Edoardo

    2007-08-01

    In a recent paper I have introduced a package for the exact simulation of power-law noises and other colored noises [E. Milotti, Comput. Phys. Comm. 175 (2006) 212]: in particular, the algorithm generates 1/f noises with 0law spectrum for any arbitrary sequence of sampling intervals, i.e. the sampling times may be unevenly spaced. Program summaryTitle of program: PLNoise Catalogue identifier:ADXV_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXV_v2_0.html Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Programming language used: ANSI C Computer: Any computer with an ANSI C compiler: the package has been tested with gcc version 3.2.3 on Red Hat Linux 3.2.3-52 and gcc version 4.0.0 and 4.0.1 on Apple Mac OS X-10.4 Operating system: All operating systems capable of running an ANSI C compiler RAM: The code of the test program is very compact (about 60 Kbytes), but the program works with list management and allocates memory dynamically; in a typical run with average list length 2ṡ10, the RAM taken by the list is 200 Kbytes External routines: The package needs external routines to generate uniform and exponential deviates. The implementation described here uses the random number generation library ranlib freely available from Netlib [B.W. Brown, J. Lovato, K. Russell: ranlib, available from Netlib, http://www.netlib.org/random/index.html, select the C version ranlib.c], but it has also been successfully tested with the random number routines in Numerical Recipes [W.H. Press, S.A. Teulkolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes in C: The Art of Scientific Computing, second ed., Cambridge Univ. Press., Cambridge, 1992, pp. 274-290]. Notice that ranlib requires a pair of routines from the linear algebra package LINPACK, and that the distribution of ranlib includes the C source of these routines, in case LINPACK is not

  9. New resonance cross section calculational algorithms

    International Nuclear Information System (INIS)

    Mathews, D.R.

    1978-01-01

    Improved resonance cross section calculational algorithms were developed and tested for inclusion in a fast reactor version of the MICROX code. The resonance energy portion of the MICROX code solves the neutron slowing-down equations for a two-region lattice cell on a very detailed energy grid (about 14,500 energies). In the MICROX algorithms, the exact P 0 elastic scattering kernels are replaced by synthetic (approximate) elastic scattering kernels which permit the use of an efficient and numerically stable recursion relation solution of the slowing-down equation. In the work described here, the MICROX algorithms were modified as follows: an additional delta function term was included in the P 0 synthetic scattering kernel. The additional delta function term allows one more moments of the exact elastic scattering kernel to be preserved without much extra computational effort. With the improved synthetic scattering kernel, the flux returns more closely to the exact flux below a resonance than with the original MICROX kernel. The slowing-down calculation was extended to a true B 1 hyperfine energy grid calculatn in each region by using P 1 synthetic scattering kernels and tranport-corrected P 0 collision probabilities to couple the two regions. 1 figure, 6 tables

  10. Time-dependent flow model of a generalized Burgers' fluid with fractional derivatives through a cylindrical domain: An exact and numerical approach

    Science.gov (United States)

    Safdar, Rabia; Imran, M.; Khalique, Chaudry Masood

    2018-06-01

    Exact solutions for velocity field and tangential stress for rotational flow of a generalized Burgers' fluid within an infinite circular pipe are derived by using the methods of Laplace and finite Hankel transformations. Firstly we take the position of fluid at rest and then the fluid flow due to the rotation of the pipe around the axis of flow having time dependant angular velocity. The exact solutions are presented in terms of the generalized Ga,b,c (., t) -functions. The corresponding results can be freely specified for the same results of Burgers', Oldroyd B, Maxwell, second grade and Newtonian fluids (performing the same motion) as particular cases of the results obtained earlier. The impact of the different parameters, individually and in comparison, are represented by graphical demonstrations. Secondly the numerical solutions for velocity and stress are also obtained with the help of Laplace transformation, Gaver Stehfest's algorithm and MATHCAD. Finally a comparison of both methods for the same problem is done and shows the consistency of results.

  11. Ab-initio calculations for dilute magnetic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Belhadji, Brahim

    2008-03-03

    This thesis focusses on ab-initio calculations for the electronic structure and the magnetic properties of dilute magnetic semiconductors (DMS). In particular we aim at the understanding of the complex exchange interactions in these systems. Our calculations are based on density functional theory, being ideally suited for a description of the material specific properties of the considered DMS. Moreover we use the KKR Green function method in connection with the coherent potential approximation (CPA), which allows to include the random substitutional disorder in a mean field-like approximation for the electronic structure. Finally we calculate the exchange coupling constants J{sub ij} between two impurities in a CPA medium by using the Lichtenstein formula and from this calculate the Curie temperature by a numerically exact Monte Carlo method. Based on this analysis we found and investigated four different exchange mechanisms being of importance in DMS systems: Double exchange, p-d exchange, antiferromagnetic superexchanges, and ferromagnetic superexchange. A second topic we have investigated in this thesis is the pressure dependence of the exchange interactions and the Curie temperatures in (Ga,Mn)As and (In,Mn)As, using the LDA and the LDA+U approximations. Exact calculations of T{sub C} by Monte Carlo simulations show a somehow different behavior. (orig.)

  12. Current system of the solar wind: results of numerical calculation

    International Nuclear Information System (INIS)

    Pisanko, Yu.V.

    1985-01-01

    Results of numerical calculations of surface current in the interplanetary current layer and steady volume current in the solar wind for heliocentric distances (1-10)Rsub(s) (Rsub(s) is the Sun radius) are given. The strength of current dependence on spatial coordinates is considered. Stationary nondissipative magnetohydrodynamic corona expansion (SNMCE) in the reference system rotating with the Sun is studied. Calculations show that three-dimensional current system of nonaxial-symmetric and nonsymmetric relatively to helioequator plane of SNMCE is more complicated than the zonal ring current around the Sun, which is the only component of the current system in spatial symmetric case

  13. Some exact results for the three-layer Zamolodchikov model

    International Nuclear Information System (INIS)

    Boos, H.E.; Mangazeev, V.V.

    2001-01-01

    In this paper we continue the study of the three-layer Zamolodchikov model started in our previous works (H.E. Boos, V.V. Mangazeev, J. Phys. A 32 (1999) 3041-3054 and H.E. Boos, V.V. Mangazeev, J. Phys. A 32 (1999) 5285-5298). We analyse numerically the solutions to the Bethe ansatz equations obtained in H.E. Boos, V.V. Mangazeev, J. Phys. A 32 (1999) 5285-5298. We consider two regimes I and II which differ by the signs of the spherical sides (a 1 ,a 2 ,a 3 )→(-a 1 ,-a 2 ,-a 3 ). We accept the two-line hypothesis for the regime I and the one-line hypothesis for the regime II. In the thermodynamic limit we derive integral equations for distribution densities and solve them exactly. We calculate the partition function for the three-layer Zamolodchikov model and check a compatibility of this result with the functional relations obtained in H.E. Boos, V.V. Mangazeev, J. Phys. A 32 (1999) 5285-5298. We also do some numeric checkings of our results

  14. Numerical calculation of velocity distribution near a vertical flat plate immersed in bubble flow

    International Nuclear Information System (INIS)

    Matsuura, Akihiro; Nakamura, Hajime; Horihata, Hideyuki; Hiraoka, Setsuro; Aragaki, Tsutomu; Yamada, Ikuho; Isoda, Shinji.

    1992-01-01

    Liquid and gas velocity distributions for bubble flow near a vertical flat plate were calculated numerically by using the SIMPLER method, where the flow was assumed to be laminar, two-dimensional, and at steady state. The two-fluid flow model was used in the numerical analysis. To calculate the drag force on a small bubble, Stokes' law for a rigid sphere is applicable. The dimensionless velocity distributions which were arranged with characteristic boundary layer thickness and maximum liquid velocity were adjusted with a single line and their forms were similar to that for single-phase wall-jet flow. The average wall shear stress derived from the velocity gradient at the plate wall was strongly affected by bubble diameter but not by inlet liquid velocity. The present dimensionless velocity distributions obtained numerically agreed well with previous experimental results, and the proposed numerical algorithm was validated. (author)

  15. Prepotential approach to exact and quasi-exact solvabilities

    International Nuclear Information System (INIS)

    Ho, C.-L.

    2008-01-01

    Exact and quasi-exact solvabilities of the one-dimensional Schroedinger equation are discussed from a unified viewpoint based on the prepotential together with Bethe ansatz equations. This is a constructive approach which gives the potential as well as the eigenfunctions and eigenvalues simultaneously. The novel feature of the present work is the realization that both exact and quasi-exact solvabilities can be solely classified by two integers, the degrees of two polynomials which determine the change of variable and the zeroth order prepotential. Most of the well-known exactly and quasi-exactly solvable models, and many new quasi-exactly solvable ones, can be generated by appropriately choosing the two polynomials. This approach can be easily extended to the constructions of exactly and quasi-exactly solvable Dirac, Pauli, and Fokker-Planck equations

  16. An Efficient numerical method to calculate the conductivity tensor for disordered topological matter

    Science.gov (United States)

    Garcia, Jose H.; Covaci, Lucian; Rappoport, Tatiana G.

    2015-03-01

    We propose a new efficient numerical approach to calculate the conductivity tensor in solids. We use a real-space implementation of the Kubo formalism where both diagonal and off-diagonal conductivities are treated in the same footing. We adopt a formulation of the Kubo theory that is known as Bastin formula and expand the Green's functions involved in terms of Chebyshev polynomials using the kernel polynomial method. Within this method, all the computational effort is on the calculation of the expansion coefficients. It also has the advantage of obtaining both conductivities in a single calculation step and for various values of temperature and chemical potential, capturing the topology of the band-structure. Our numerical technique is very general and is suitable for the calculation of transport properties of disordered systems. We analyze how the method's accuracy varies with the number of moments used in the expansion and illustrate our approach by calculating the transverse conductivity of different topological systems. T.G.R, J.H.G and L.C. acknowledge Brazilian agencies CNPq, FAPERJ and INCT de Nanoestruturas de Carbono, Flemish Science Foundation for financial support.

  17. Time's arrow: A numerical experiment

    Science.gov (United States)

    Fowles, G. Richard

    1994-04-01

    The dependence of time's arrow on initial conditions is illustrated by a numerical example in which plane waves produced by an initial pressure pulse are followed as they are multiply reflected at internal interfaces of a layered medium. Wave interactions at interfaces are shown to be analogous to the retarded and advanced waves of point sources. The model is linear and the calculation is exact and demonstrably time reversible; nevertheless the results show most of the features expected of a macroscopically irreversible system, including the approach to the Maxwell-Boltzmann distribution, ergodicity, and concomitant entropy increase.

  18. Numerical Calculation of the Peaking Factor of a Water-Cooled W/Cu Monoblock for a Divertor

    Science.gov (United States)

    Han, Le; Chang, Haiping; Zhang, Jingyang; Xu, Tiejun

    2015-09-01

    In order to accurately predict the incident critical heat flux (ICHF, the heat flux at the heated surface when CHF occurs) of a water-cooled W/Cu monoblock for a divertor, the exact knowledge of its peaking factors (fp) under one-sided heating conditions with different design parameters is a key issue. In this paper, the heat conduction in the solid domain of a water-cooled W/Cu monoblock is calculated numerically by assuming the local heat transfer coefficients (HTC) of the cooling wall to be functions of the local wall temperature, so as to obtain fp. The reliability of the calculation method is validated by an experimental example result, with the maximum error of 2.1% only. The effects of geometric and flow parameters on the fp of a water-cooled W/Cu monoblock are investigated. Within the scope of this study, it is shown that the fp increases with increasing dimensionless W/Cu monoblock width and armour thickness (the shortest distance between the heated surface and Cu layer), and the maximum increases are 43.8% and 22.4% respectively. The dimensionless W/Cu monoblock height and Cu thickness have little effect on fp. The increase of Reynolds number and Jakob number causes the increase of fp, and the maximum increases are 6.8% and 9.6% respectively. Based on the calculated results, an empirical correlation on peaking factor is obtained via regression. These results provide a valuable reference for the thermal-hydraulic design of water-cooled divertors. supported by National Magnetic Confinement Fusion Science Program of China (No. 2010GB104005) and Funding of Jiangsu Innovation Program for Graduate Education, China (CXLX12_0170), the Fundamental Research Funds for the Central Universities of China

  19. Evaluation of quantum mechanics path integrals by the approximations exact on a class of polynomial functionals

    International Nuclear Information System (INIS)

    Lobanov, Yu.Yu.; Shidkov, E.P.

    1987-01-01

    The method for numerical evaluation of path integrals in Eucledean quantum mechanics without lattice discretization is elaborated. The method is based on the representation of these integrals in the form of functional integrals with respect to the conditional Wiener measure and on the use of the derived approximate exact on a class of polynomial functionals of a given degree. By the computations of non-perturbative characteristics, concerned the topological structure of vacuum, the advantages of this method versus lattice Monte-Carlo calculations are demonstrated

  20. Energetics and performance of a microscopic heat engine based on exact calculations of work and heat distributions

    International Nuclear Information System (INIS)

    Chvosta, Petr; Holubec, Viktor; Ryabov, Artem; Einax, Mario; Maass, Philipp

    2010-01-01

    We investigate a microscopic motor based on an externally controlled two-level system. One cycle of the motor operation consists of two strokes. Within each stroke, the two-level system is in contact with a given thermal bath and its energy levels are driven at a constant rate. The time evolutions of the occupation probabilities of the two states are controlled by one rate equation and represent the system's response with respect to the external driving. We give the exact solution of the rate equation for the limit cycle and discuss the emerging thermodynamics: the work done on the environment, the heat exchanged with the baths, the entropy production, the motor's efficiency, and the power output. Furthermore we introduce an augmented stochastic process which reflects, at a given time, both the occupation probabilities for the two states and the time spent in the individual states during the previous evolution. The exact calculation of the evolution operator for the augmented process allows us to discuss in detail the probability density for the work performed during the limit cycle. In the strongly irreversible regime, the density exhibits important qualitative differences with respect to the more common Gaussian shape in the regime of weak irreversibility

  1. Relativistic calculations of one-photon bound-free transition amplitudes in hydrogenic atoms

    International Nuclear Information System (INIS)

    Simo, E.; Kwato Njock, M.G.

    2005-04-01

    Photoionization transition matrix of hydrogenic systems are investigated theoretically within the framework of the tensorial formalism with relativistic arguments. Calculations are carried out exactly, without approximation. We derive continuum second-order Dirac-Coulomb Sturmian functions. The numerical simulation of our results is performed in the dipole approximation. We test our theory on selected nucleus from the Periodic Table. The results of the fully relativistic calculations are compared with those of the quasi-relativistic calculations. A conclusion is drawn about the level of reliability of the quite simplified quasi-relativistic approach. (author)

  2. A Class of Quasi-exact Solutions of Rabi Hamiltonian

    International Nuclear Information System (INIS)

    Pan Feng; Yao Youkun; Xie Mingxia; Han Wenjuan; Draayer, J.P.

    2007-01-01

    A class of quasi-exact solutions of the Rabi Hamiltonian, which describes a two-level atom interacting with a single-mode radiation field via a dipole interaction without the rotating-wave approximation, are obtained by using a wavefunction ansatz. Exact solutions for part of the spectrum are obtained when the atom-field coupling strength and the field frequency satisfy certain relations. As an example, the lowest exact energy level and the corresponding atom-field entanglement at the quasi-exactly solvable point are calculated and compared to results from the Jaynes-Cummings and counter-rotating cases of the Rabi Hamiltonian.

  3. An analytical method for neutron thermalization calculations in heterogenous reactors

    Energy Technology Data Exchange (ETDEWEB)

    Pop-Jordanov, J [Boris Kidric Institute of Nuclear Sciences, Vinca, Belgrade (Yugoslavia)

    1965-07-01

    It is well known that the use of the diffusion approximation for stuexact numerical methods are rather laborious and require the use of large digital computers. In this paper, the use of the diffusion approximation in absorbing media has been avoided, but the treatment remained analytical, thus simplifying practical calculations.

  4. An analytical method for neutron thermalization calculations in heterogenous reactors

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.

    1965-01-01

    It is well known that the use of the diffusion approximation for studying neutron thermalization in heterogeneous reactors may result in considerable errors. On the other hand, more exact numerical methods are rather laborious and require the use of large digital computers. In this paper, the use of the diffusion approximation in absorbing media has been avoided, but the treatment remained analytical, thus simplifying practical calculations

  5. An Exact Solution of the Binary Singular Problem

    Directory of Open Access Journals (Sweden)

    Baiqing Sun

    2014-01-01

    Full Text Available Singularity problem exists in various branches of applied mathematics. Such ordinary differential equations accompany singular coefficients. In this paper, by using the properties of reproducing kernel, the exact solution expressions of dual singular problem are given in the reproducing kernel space and studied, also for a class of singular problem. For the binary equation of singular points, I put it into the singular problem first, and then reuse some excellent properties which are applied to solve the method of solving differential equations for its exact solution expression of binary singular integral equation in reproducing kernel space, and then obtain its approximate solution through the evaluation of exact solutions. Numerical examples will show the effectiveness of this method.

  6. A numerical approach to calculate the induced voltage in the case of conduced perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Andretzko, J.P.; Hedjiedj, A.; Babouri, A.; Guendouz, L.; Nadi, M. [Nancy-1 Univ. Henri Poincare, Lab. d' Instrumentation Electronique de Nancy, Faculte des Sciences, 54 - Vandoeuvre les Nancy (France)

    2006-07-01

    This paper presents a method of numerical simulation that makes it possible to calculate the induced tension to the terminals of the cardiac pacemaker subjected to conduced disturbances. The physical model used for simulation is an experimental test bed which makes it possible to study the behaviour of pacemaker, in vitro, subjected to electromagnetic disturbances in low frequencies range (50 hz - 500 khz). The test bed in which the pacemaker is implanted is described in this article. The process of calculation uses the admittance method adapted to the case of conducted disturbances. Results obtained by numerical simulation are close to experimental values. (authors)

  7. A numerical approach to calculate the induced voltage in the case of conduced perturbations

    International Nuclear Information System (INIS)

    Andretzko, J.P.; Hedjiedj, A.; Babouri, A.; Guendouz, L.; Nadi, M.

    2006-01-01

    This paper presents a method of numerical simulation that makes it possible to calculate the induced tension to the terminals of the cardiac pacemaker subjected to conduced disturbances. The physical model used for simulation is an experimental test bed which makes it possible to study the behaviour of pacemaker, in vitro, subjected to electromagnetic disturbances in low frequencies range (50 hz - 500 khz). The test bed in which the pacemaker is implanted is described in this article. The process of calculation uses the admittance method adapted to the case of conducted disturbances. Results obtained by numerical simulation are close to experimental values. (authors)

  8. Monte Carlo numerical study of lattice field theories

    International Nuclear Information System (INIS)

    Gan Cheekwan; Kim Seyong; Ohta, Shigemi

    1997-01-01

    The authors are interested in the exact first-principle calculations of quantum field theories which are indeed exact ones. For quantum chromodynamics (QCD) at low energy scale, a nonperturbation method is needed, and the only known such method is the lattice method. The path integral can be evaluated by putting a system on a finite 4-dimensional volume and discretizing space time continuum into finite points, lattice. The continuum limit is taken by making the lattice infinitely fine. For evaluating such a finite-dimensional integral, the Monte Carlo numerical estimation of the path integral can be obtained. The calculation of light hadron mass in quenched lattice QCD with staggered quarks, 3-dimensional Thirring model calculation and the development of self-test Monte Carlo method have been carried out by using the RIKEN supercomputer. The motivation of this study, lattice QCD formulation, continuum limit, Monte Carlo update, hadron propagator, light hadron mass, auto-correlation and source size dependence are described on lattice QCD. The phase structure of the 3-dimensional Thirring model for a small 8 3 lattice has been mapped. The discussion on self-test Monte Carlo method is described again. (K.I.)

  9. Surface-state mediated three-adsorbate interaction: exact and numerical results and simple asymptotic expression

    International Nuclear Information System (INIS)

    Hyldgaard, Per; Einstein, T.L.

    2003-01-01

    The interaction energy of three adsorbates on a surface consists of the sum of the three-pair interactions plus a trio contribution produced primarily by interference of electrons which traverse the entire perimeter, d 123 , of the three-adsorbate cluster. Here, we investigate this three-adatom interaction when mediated by the isotropic Shockley surface-state band found on noble-metal (1 1 1) surfaces, extending work on pair interactions. Our experimentally testable result depends on the s-wave phase-shift, characterizing the standing-wave patterns seen in scanning-tunneling microscopy (STM) images. Compared with the adsorbate-pair interactions, and in contrast to bulk-mediated interactions, the trio contribution exhibits a slightly weaker amplitude and a slightly faster asymptotic envelope decay, d 123 -5/2 . It also has a different but well-defined oscillation period dependent on d 123 and little dependence on the shape of the cluster. We finally compare the asymptotic description with exact model calculations assuming short-range interactions, which are viable even in the non-asymptotic range (when not outweighed by bulk-mediated interactions)

  10. Comparison of Different Numerical Methods for Quality Factor Calculation of Nano and Micro Photonic Cavities

    DEFF Research Database (Denmark)

    Taghizadeh, Alireza; Mørk, Jesper; Chung, Il-Sug

    2014-01-01

    Four different numerical methods for calculating the quality factor and resonance wavelength of a nano or micro photonic cavity are compared. Good agreement was found for a wide range of quality factors. Advantages and limitations of the different methods are discussed.......Four different numerical methods for calculating the quality factor and resonance wavelength of a nano or micro photonic cavity are compared. Good agreement was found for a wide range of quality factors. Advantages and limitations of the different methods are discussed....

  11. Inverse Schroedinger equation and the exact wave function

    International Nuclear Information System (INIS)

    Nakatsuji, Hiroshi

    2002-01-01

    Using the inverse of the Hamiltonian, we introduce the inverse Schroedinger equation (ISE) that is equivalent to the ordinary Schroedinger equation (SE). The ISE has the variational principle and the H-square group of equations as the SE has. When we use a positive Hamiltonian, shifting the energy origin, the inverse energy becomes monotonic and we further have the inverse Ritz variational principle and cross-H-square equations. The concepts of the SE and the ISE are combined to generalize the theory for calculating the exact wave function that is a common eigenfunction of the SE and ISE. The Krylov sequence is extended to include the inverse Hamiltonian, and the complete Krylov sequence is introduced. The iterative configuration interaction (ICI) theory is generalized to cover both the SE and ISE concepts and four different computational methods of calculating the exact wave function are presented in both analytical and matrix representations. The exact wave-function theory based on the inverse Hamiltonian can be applied to systems that have singularities in the Hamiltonian. The generalized ICI theory is applied to the hydrogen atom, giving the exact solution without any singularity problem

  12. Numerical calculation of hadron masses in lattice quantum chromodynamics

    International Nuclear Information System (INIS)

    Montvay, I.

    1985-07-01

    Recent numerical Monte Carlo simulations of the hadron spectrum are reviewed. After a general introduction, different ways of calculating the hadron masses in the ''quenched approximation'' (i.e. neglecting virtual quark loops) are described and the latest results are summarized. The pseudofermion method and the iterative hopping expansion method for the introduction of dynamical quarks is discussed, and the first results about the hadron spectrum including the effect of virtual quark loops are reviewed. A separate section is devoted to the discussion of the questions related to scaling with dynamical quarks. (orig./HSI)

  13. An analytical transport theory method for calculating flux distribution in slab cells

    International Nuclear Information System (INIS)

    Abdel Krim, M.S.

    2001-01-01

    A transport theory method for calculating flux distributions in slab fuel cell is described. Two coupled integral equations for flux in fuel and moderator are obtained; assuming partial reflection at moderator external boundaries. Galerkin technique is used to solve these equations. Numerical results for average fluxes in fuel and moderator and the disadvantage factor are given. Comparison with exact numerical methods, that is for total reflection moderator outer boundaries, show that the Galerkin technique gives accurate results for the disadvantage factor and average fluxes. (orig.)

  14. Exact scale-invariant background of gravitational waves from cosmic defects.

    Science.gov (United States)

    Figueroa, Daniel G; Hindmarsh, Mark; Urrestilla, Jon

    2013-03-08

    We demonstrate that any scaling source in the radiation era produces a background of gravitational waves with an exact scale-invariant power spectrum. Cosmic defects, created after a phase transition in the early universe, are such a scaling source. We emphasize that the result is independent of the topology of the cosmic defects, the order of phase transition, and the nature of the symmetry broken, global or gauged. As an example, using large-scale numerical simulations, we calculate the scale-invariant gravitational wave power spectrum generated by the dynamics of a global O(N) scalar theory. The result approaches the large N theoretical prediction as N(-2), albeit with a large coefficient. The signal from global cosmic strings is O(100) times larger than the large N prediction.

  15. Numerical Calculation of the Swirling Flow in a Centrifugal Compressor Volute

    International Nuclear Information System (INIS)

    Seong, Seon Mo; Kang, Shin Hyoung; Cho, Kyung Seok; Kim, Woo June

    2007-01-01

    Flows in the centrifugal compressor volute with circular cross section are numerically investigated. The computational grid for the calculation utilized a multi-block arrangement to form a butterfly grid and flow calculations are performed using commercial CFD software, CFX-TASCflow. The centrifugal compressor of this study has axial diffuser after radial diffuser because of the shape of inlet duct and installation constraints. Due to this feature the swirling flow pattern is different from the other investigations. The flow inside volute is very complex and three dimensional with strong vortex and recirculation through volute tongue. The calculation results show circumferential variations of the swirl and through flow velocity and pressure distribution. The mechanism deciding flow structure is explained by considering the force balance in volute cross section. And static pressure recovery and total pressure loss are estimated from the calculated results and compared with Japikse model

  16. Application of a numerical transport correction in diffusion calculations

    International Nuclear Information System (INIS)

    Tomatis, Daniele; Dall'Osso, Aldo

    2011-01-01

    Full core calculations by ordinary transport methods can demand considerable computational time, hardly acceptable in the industrial work frame. However, the trend of next generation nuclear cores goes toward more heterogeneous systems, where transport phenomena of neutrons become very important. On the other hand, using diffusion solvers is more practical allowing faster calculations, but a specific formulation of the diffusion coefficient is requested to reproduce the scalar flux with reliable physical accuracy. In this paper, the Ronen method is used to evaluate numerically the diffusion coefficient in the slab reactor. The new diffusion solution is driven toward the solution of the integral neutron transport equation by non linear iterations. Better estimates of currents are computed and diffusion coefficients are corrected at node interfaces, still assuming Fick's law. This method enables obtaining closer results to the transport solution by a common solver in multigroup diffusion. (author)

  17. A general algorithm for calculating jet cross sections in NLO QCD

    CERN Document Server

    Catani, S.; Catani, Stefano; Seymour, Michael H

    1997-01-01

    We present a new general algorithm for calculating arbitrary jet cross sections in arbitrary scattering processes to next-to-leading accuracy in perturbative QCD. The algorithm is based on the subtraction method. The key ingredients are new factorization formulae, called dipole formulae, which implement in a Lorentz covariant way both the usual soft and collinear approximations, smoothly interpolating the two. The corresponding dipole phase space obeys exact factorization, so that the dipole contributions to the cross section can be exactly integrated analytically over the whole of phase space. We obtain explicit analytic results for any jet observable in any scattering or fragmentation process in lepton, lepton-hadron or hadron-hadron collisions. All the analytical formulae necessary to construct a numerical program for next-to-leading order QCD calculations are provided. The algorithm is straightforwardly implementable in general purpose Monte Carlo programs.

  18. Exact solution of the hidden Markov processes

    Science.gov (United States)

    Saakian, David B.

    2017-11-01

    We write a master equation for the distributions related to hidden Markov processes (HMPs) and solve it using a functional equation. Thus the solution of HMPs is mapped exactly to the solution of the functional equation. For a general case the latter can be solved only numerically. We derive an exact expression for the entropy of HMPs. Our expression for the entropy is an alternative to the ones given before by the solution of integral equations. The exact solution is possible because actually the model can be considered as a generalized random walk on a one-dimensional strip. While we give the solution for the two second-order matrices, our solution can be easily generalized for the L values of the Markov process and M values of observables: We should be able to solve a system of L functional equations in the space of dimension M -1 .

  19. An Exact Line Integral Representation of the Magnetic Physical Optics Scattered Field

    DEFF Research Database (Denmark)

    Meincke, Peter; Breinbjerg, Olav; Jørgensen, Erik

    2003-01-01

    An exact line integral representation is derived for the magnetic physical optics field scattered by a perfectly electrically conducting planar plate illuminated by electric or magnetic Hertzian dipoles. The positions of source and observation points can be almost arbitrary. Numerical examples...... are presented to illustrate the exactness of the line integral representation....

  20. A New Numerical Algorithm for Two-Point Boundary Value Problems

    OpenAIRE

    Guo, Lihua; Wu, Boying; Zhang, Dazhi

    2014-01-01

    We present a new numerical algorithm for two-point boundary value problems. We first present the exact solution in the form of series and then prove that the n-term numerical solution converges uniformly to the exact solution. Furthermore, we establish the numerical stability and error analysis. The numerical results show the effectiveness of the proposed algorithm.

  1. Numerical Calculation of the Flow in a Centrifugal Compressor Volute

    International Nuclear Information System (INIS)

    Seong, Seon Mo; Kang, Shin Hyoung; Cho, Kyung Seok; Kim, Woo June

    2007-01-01

    Flows in the centrifugal compressor volute with circular cross section are numerically investigated. The computational domain contained inlet passage, impeller, radial and axial diffuser, and volute. The volute grid for the calculation utilized a multi-block arrangement to form a butterfly grid and flow calculations are performed using commercial CFD software, CFX-TASCflow. The centrifugal compressor of this study has the inlet passage like steps and axial diffuser after radial diffuser because of the shape of the motor cooling fins and installation constraints. Due to this feature the swirling flow pattern is different from the other investigations. The loss in through the inlet passage was considerable and the flow inside volute is very complex and three dimensional with strong vortex and recirculation through volute tongue

  2. An exact fermion-pair to boson mapping

    International Nuclear Information System (INIS)

    Johnson, C.W.

    1993-01-01

    I derive in a novel fashion exact formulas for the calculation of general matrix elements, including the overlap (norm) matrix, between states constructed from fermion pairs. Mapping the fermion pairs to bosons, I show how to construct finite and exact (in the sense of preserving matrix elements) boson representations of the norm operator and one- and two-fermion operators. This may lead to a microscopic basis for the Interacting Boson Model, as well as new truncation schemes for the nuclear shell model

  3. Exact ground and excited states of an antiferromagnetic quantum spin model

    International Nuclear Information System (INIS)

    Bose, I.

    1989-08-01

    A quasi-one-dimensional spin model which consists of a chain of octahedra of spins has been suggested for which a certain parameter regime of the Hamiltonian, the ground state, can be written down exactly. The ground state is highly degenerate and can be other than a singlet. Also, several excited states can be constructed exactly. The ground state is a local RVB state for which resonance is confined to rings of spins. Some exact numerical results for an octahedron of spins have also been reported. (author). 16 refs, 2 figs, 1 tab

  4. Direct Calculation of Permeability by High-Accurate Finite Difference and Numerical Integration Methods

    KAUST Repository

    Wang, Yi

    2016-07-21

    Velocity of fluid flow in underground porous media is 6~12 orders of magnitudes lower than that in pipelines. If numerical errors are not carefully controlled in this kind of simulations, high distortion of the final results may occur [1-4]. To fit the high accuracy demands of fluid flow simulations in porous media, traditional finite difference methods and numerical integration methods are discussed and corresponding high-accurate methods are developed. When applied to the direct calculation of full-tensor permeability for underground flow, the high-accurate finite difference method is confirmed to have numerical error as low as 10-5% while the high-accurate numerical integration method has numerical error around 0%. Thus, the approach combining the high-accurate finite difference and numerical integration methods is a reliable way to efficiently determine the characteristics of general full-tensor permeability such as maximum and minimum permeability components, principal direction and anisotropic ratio. Copyright © Global-Science Press 2016.

  5. Bayesian noninferiority test for 2 binomial probabilities as the extension of Fisher exact test.

    Science.gov (United States)

    Doi, Masaaki; Takahashi, Fumihiro; Kawasaki, Yohei

    2017-12-30

    Noninferiority trials have recently gained importance for the clinical trials of drugs and medical devices. In these trials, most statistical methods have been used from a frequentist perspective, and historical data have been used only for the specification of the noninferiority margin Δ>0. In contrast, Bayesian methods, which have been studied recently are advantageous in that they can use historical data to specify prior distributions and are expected to enable more efficient decision making than frequentist methods by borrowing information from historical trials. In the case of noninferiority trials for response probabilities π 1 ,π 2 , Bayesian methods evaluate the posterior probability of H 1 :π 1 >π 2 -Δ being true. To numerically calculate such posterior probability, complicated Appell hypergeometric function or approximation methods are used. Further, the theoretical relationship between Bayesian and frequentist methods is unclear. In this work, we give the exact expression of the posterior probability of the noninferiority under some mild conditions and propose the Bayesian noninferiority test framework which can flexibly incorporate historical data by using the conditional power prior. Further, we show the relationship between Bayesian posterior probability and the P value of the Fisher exact test. From this relationship, our method can be interpreted as the Bayesian noninferior extension of the Fisher exact test, and we can treat superiority and noninferiority in the same framework. Our method is illustrated through Monte Carlo simulations to evaluate the operating characteristics, the application to the real HIV clinical trial data, and the sample size calculation using historical data. Copyright © 2017 John Wiley & Sons, Ltd.

  6. A numerical solution of the coupled proton-H atom transport equations for the proton aurora

    International Nuclear Information System (INIS)

    Basu, B.; Jasperse, J.R.; Grossbard, N.J.

    1990-01-01

    A numerical code has been developed to solve the coupled proton-H atom linear transport equations for the proton aurora. The transport equations have been simplified by using plane-parallel geometry and the forward-scattering approximations only. Otherwise, the equations and their numerical solutions are exact. Results are presented for the particle fluxes and the energy deposition rates, and they are compared with the previous analytical results that were obtained by using additional simplifying approximations. It is found that although the analytical solutions for the particle fluxes differ somewhat from the numerical solutions, the energy deposition rates calculated by the two methods agree to within a few percent. The accurate particle fluxes given by the numerical code are useful for accurate calculation of the characteristic quantities of the proton aurora, such as the ionization rates and the emission rates

  7. Activity in the fronto-parietal network indicates numerical inductive reasoning beyond calculation: An fMRI study combined with a cognitive model.

    Science.gov (United States)

    Liang, Peipeng; Jia, Xiuqin; Taatgen, Niels A; Borst, Jelmer P; Li, Kuncheng

    2016-05-19

    Numerical inductive reasoning refers to the process of identifying and extrapolating the rule involved in numeric materials. It is associated with calculation, and shares the common activation of the fronto-parietal regions with calculation, which suggests that numerical inductive reasoning may correspond to a general calculation process. However, compared with calculation, rule identification is critical and unique to reasoning. Previous studies have established the central role of the fronto-parietal network for relational integration during rule identification in numerical inductive reasoning. The current question of interest is whether numerical inductive reasoning exclusively corresponds to calculation or operates beyond calculation, and whether it is possible to distinguish between them based on the activity pattern in the fronto-parietal network. To directly address this issue, three types of problems were created: numerical inductive reasoning, calculation, and perceptual judgment. Our results showed that the fronto-parietal network was more active in numerical inductive reasoning which requires more exchanges between intermediate representations and long-term declarative knowledge during rule identification. These results survived even after controlling for the covariates of response time and error rate. A computational cognitive model was developed using the cognitive architecture ACT-R to account for the behavioral results and brain activity in the fronto-parietal network.

  8. The Uhlenbeck-Ford model: Exact virial coefficients and application as a reference system in fluid-phase free-energy calculations

    Science.gov (United States)

    Paula Leite, Rodolfo; Freitas, Rodrigo; Azevedo, Rodolfo; de Koning, Maurice

    2016-11-01

    The Uhlenbeck-Ford (UF) model was originally proposed for the theoretical study of imperfect gases, given that all its virial coefficients can be evaluated exactly, in principle. Here, in addition to computing the previously unknown coefficients B11 through B13, we assess its applicability as a reference system in fluid-phase free-energy calculations using molecular simulation techniques. Our results demonstrate that, although the UF model itself is too soft, appropriately scaled Uhlenbeck-Ford (sUF) models provide robust reference systems that allow accurate fluid-phase free-energy calculations without the need for an intermediate reference model. Indeed, in addition to the accuracy with which their free energies are known and their convenient scaling properties, the fluid is the only thermodynamically stable phase for a wide range of sUF models. This set of favorable properties may potentially put the sUF fluid-phase reference systems on par with the standard role that harmonic and Einstein solids play as reference systems for solid-phase free-energy calculations.

  9. Numerically induced pressure excursions in two-phase-flow calculations. Final report

    International Nuclear Information System (INIS)

    Mahaffy, J.H.; Liles, D.R.

    1983-01-01

    Pressure spikes that cannot be traced to any physical origin sometimes are observed when standard Eulerian finite-difference methods are used to calculate two-phase-flow transients. This problem occurs with varying frequency in nuclear reactor safety codes such as RELAP, RETRAN, COBRA, and TRAC. These spikes usually result from numerical water packing or from interactions between spatial discretization and heat transfer

  10. Analysis of thin plates with holes by using exact geometrical representation within XFEM.

    Science.gov (United States)

    Perumal, Logah; Tso, C P; Leng, Lim Thong

    2016-05-01

    This paper presents analysis of thin plates with holes within the context of XFEM. New integration techniques are developed for exact geometrical representation of the holes. Numerical and exact integration techniques are presented, with some limitations for the exact integration technique. Simulation results show that the proposed techniques help to reduce the solution error, due to the exact geometrical representation of the holes and utilization of appropriate quadrature rules. Discussion on minimum order of integration order needed to achieve good accuracy and convergence for the techniques presented in this work is also included.

  11. Hybrid TE-TM scheme for time domain numerical calculations of wakefields in structures with walls of finite conductivity

    Directory of Open Access Journals (Sweden)

    Andranik Tsakanian

    2012-05-01

    Full Text Available In particle accelerators a preferred direction, the direction of motion, is well defined. If in a numerical calculation the (numerical dispersion in this direction is suppressed, a quite coarse mesh and moderate computational resources can be used to reach accurate results even for extremely short electron bunches. Several approaches have been proposed in the past decades to reduce the accumulated dispersion error in wakefield calculations for perfectly conducting structures. In this paper we extend the TE/TM splitting algorithm to a new hybrid scheme that allows for wakefield calculations in structures with walls of finite conductivity. The conductive boundary is modeled by one-dimensional wires connected to each boundary cell. A good agreement of the numerical simulations with analytical results and other numerical approaches is obtained.

  12. Planning design of Ukrainian mines by the means of numerical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Ruppel, Ulrich; Scior, Carsten [DMT GmbH und Co. KG (DMT), Essen (Germany). Rock Mechanic Dept.

    2008-08-21

    Using a mine in the Ukraine as an example it is shown how the DMT performs rock mechanical and support planning or roadways in hard coal mines worldwide. Therefore it is necessary to analyse existing measurements and operating experience within a few days as well as organising further surveys on site on short notice. Based on these results the numerical models are calibrated. Using the numerical simulation technology it is possible for DMT to quantify and analyse the rock mechanical impact of different support systems within a short time. Finally the results of the numerical calculations are set in comparison in a rating matrix. Besides making a decision on implementing new roadway and support systems with the objective to use the roadways up to the second longwall panel, the rating matrix is also used for analysing the optimization potentials of existing support systems. This allows the recommendations to immediate improvement of the strata control in the miner's roadways. (orig.)

  13. Lattice sigma models with exact supersymmetry

    International Nuclear Information System (INIS)

    Simon Catterall; Sofiane Ghadab

    2004-01-01

    We show how to construct lattice sigma models in one, two and four dimensions which exhibit an exact fermionic symmetry. These models are discretized and twisted versions of conventional supersymmetric sigma models with N=2 supersymmetry. The fermionic symmetry corresponds to a scalar BRST charge built from the original supercharges. The lattice theories possess local actions and exhibit no fermion doubling. In the two and four dimensional theories we show that these lattice theories are invariant under additional discrete symmetries. We argue that the presence of these exact symmetries ensures that no fine tuning is required to achieve N=2 supersymmetry in the continuum limit. As a concrete example we show preliminary numerical results from a simulation of the O(3) supersymmetric sigma model in two dimensions. (author)

  14. Improvement of patient return electrodes in electrosurgery by experimental investigations and numerical field calculations.

    Science.gov (United States)

    Golombeck, M A; Dössel, O; Raiser, J

    2003-09-01

    Numerical field calculations and experimental investigations were performed to examine the heating of the surface of human skin during the application of a new electrode design for the patient return electrode. The new electrode is characterised by an equipotential ring around the central electrode pads. A multi-layer thigh model was used, to which the patient return electrode and the active electrode were connected. The simulation geometry and the dielectric tissue parameters were set according to the frequency of the current. The temperature rise at the skin surface due to the flow of current was evaluated using a two-step numerical solving procedure. The results were compared with experimental thermographical measurements that yielded a mean value of maximum temperature increase of 3.4 degrees C and a maximum of 4.5 degrees C in one test case. The calculated heating patterns agreed closely with the experimental results. However, the calculated mean value in ten different numerical models of the maximum temperature increase of 12.5 K (using a thermodynamic solver) exceeded the experimental value owing to neglect of heat transport by blood flow and also because of the injection of a higher test current, as in the clinical tests. The implementation of a simple worst-case formula that could significantly simplify the numerical process led to a substantial overestimation of the mean value of the maximum skin temperature of 22.4 K and showed only restricted applicability. The application of numerical methods confirmed the experimental assertions and led to a general understanding of the observed heating effects and hotspots. Furthermore, it was possible to demonstrate the beneficial effects of the new electrode design with an equipotential ring. These include a balanced heating pattern and the absence of hotspots.

  15. Criteria for exact qudit universality

    International Nuclear Information System (INIS)

    Brennen, Gavin K.; O'Leary, Dianne P.; Bullock, Stephen S.

    2005-01-01

    We describe criteria for implementation of quantum computation in qudits. A qudit is a d-dimensional system whose Hilbert space is spanned by states vertical bar 0>, vertical bar 1>, ..., vertical bar d-1>. An important earlier work [A. Muthukrishnan and C.R. Stroud, Jr., Phys. Rev. A 62, 052309 (2000)] describes how to exactly simulate an arbitrary unitary on multiple qudits using a 2d-1 parameter family of single qudit and two qudit gates. That technique is based on the spectral decomposition of unitaries. Here we generalize this argument to show that exact universality follows given a discrete set of single qudit Hamiltonians and one two-qudit Hamiltonian. The technique is related to the QR-matrix decomposition of numerical linear algebra. We consider a generic physical system in which the single qudit Hamiltonians are a small collection of H jk x =(ℎ/2π)Ω(vertical bar k> jk y =(ℎ/2π)Ω(i vertical bar k> jk x,y are allowed Hamiltonians. One qudit exact universality follows iff this graph is connected, and complete universality results if the two-qudit Hamiltonian H=(ℎ/2π)Ω vertical bar d-1,d-1> 87 Rb and construct an optimal gate sequence using Raman laser pulses

  16. Numerical studies of fermionic field theories at large-N

    International Nuclear Information System (INIS)

    Dickens, T.A.

    1987-01-01

    A description of an algorithm, which may be used to study large-N theories with or without fermions, is presented. As an initial test of the method, the spectrum of continuum QCD in 1 + 1 dimensions is determined and compared to previously obtained results. Exact solutions of 1 + 1 dimensional lattice versions of the free fermion theory, the Gross-Neveu model, and QCD are obtained. Comparison of these exact results with results from the numerical algorithm is used to test the algorithms, and more importantly, to determine the errors incurred from the approximations used in the numerical technique. Numerical studies of the above three lattice theories in higher dimensions are also presented. The results are again compared to exact solutions for free fermions and the Gross-Neveu model; perturbation theory is used to derive expansions with which the numerical results for QCD may be compared. The numerical algorithm may also be used to study the euclidean formulation of lattice gauge theories. Results for 1 + 1 dimensional euclidean lattice QCD are compared to the exact solution of this model

  17. Numerical calculation of the cross section by the solution of the wave equation

    International Nuclear Information System (INIS)

    Drewko, J.

    1982-01-01

    A numerical method of solving of the wave equation is described for chosen vibrational eigenfunctions. A prepared program calculates the total cross sections for the resonant vibrational excitation for diatomic molecules on the basis of introduced molecular data. (author)

  18. Activity in the fronto-parietal network indicates numerical inductive reasoning beyond calculation : An fMRI study combined with a cognitive model

    NARCIS (Netherlands)

    Liang, Peipeng; Jia, Xiuqin; Taatgen, Niels A; Borst, Jelmer P; Li, Kuncheng

    2016-01-01

    Numerical inductive reasoning refers to the process of identifying and extrapolating the rule involved in numeric materials. It is associated with calculation, and shares the common activation of the fronto-parietal regions with calculation, which suggests that numerical inductive reasoning may

  19. Quasi-classical integral method for spectra calculation of symmetric central problems

    International Nuclear Information System (INIS)

    Lobashev, A.A.; Trunov, N.N.

    2000-01-01

    The new approach to the quantization quasi-classical conditions is developed. It is based on general exact properties of the wave equations and their spectra and it does not use asymptotic decompositions. The quantization conditions for the central-symmetric potentials depend only on the totality of integrals, including the classical pulse degrees. The energy level values, calculated by means of this conditions, are in good agreement with the numerical data [ru

  20. Paradoxes in numerical calculations

    Czech Academy of Sciences Publication Activity Database

    Brandts, J.; Křížek, Michal; Zhang, Z.

    2016-01-01

    Roč. 26, č. 3 (2016), s. 317-330 ISSN 1210-0552 R&D Projects: GA ČR GA14-02067S Institutional support: RVO:67985840 Keywords : round-off errors * numerical instability * recurrence formulae Subject RIV: BA - General Mathematics Impact factor: 0.394, year: 2016

  1. Sensitivity analysis of numerical results of one- and two-dimensional advection-diffusion problems

    International Nuclear Information System (INIS)

    Motoyama, Yasunori; Tanaka, Nobuatsu

    2005-01-01

    Numerical simulation has been playing an increasingly important role in the fields of science and engineering. However, every numerical result contains errors such as modeling, truncation, and computing errors, and the magnitude of the errors that are quantitatively contained in the results is unknown. This situation causes a large design margin in designing by analyses and prevents further cost reduction by optimizing design. To overcome this situation, we developed a new method to numerically analyze the quantitative error of a numerical solution by using the sensitivity analysis method and modified equation approach. If a reference case of typical parameters is calculated once by this method, then no additional calculation is required to estimate the results of other numerical parameters such as those of parameters with higher resolutions. Furthermore, we can predict the exact solution from the sensitivity analysis results and can quantitatively evaluate the error of numerical solutions. Since the method incorporates the features of the conventional sensitivity analysis method, it can evaluate the effect of the modeling error as well as the truncation error. In this study, we confirm the effectiveness of the method through some numerical benchmark problems of one- and two-dimensional advection-diffusion problems. (author)

  2. Exact travelling wave solutions for some important nonlinear

    Indian Academy of Sciences (India)

    The two-dimensional nonlinear physical models and coupled nonlinear systems such as Maccari equations, Higgs equations and Schrödinger–KdV equations have been widely applied in many branches of physics. So, finding exact travelling wave solutions of such equations are very helpful in the theories and numerical ...

  3. Benchmarking GW against exact diagonalization for semiempirical models

    DEFF Research Database (Denmark)

    Kaasbjerg, Kristen; Thygesen, Kristian Sommer

    2010-01-01

    We calculate ground-state total energies and single-particle excitation energies of seven pi-conjugated molecules described with the semiempirical Pariser-Parr-Pople model using self-consistent many-body perturbation theory at the GW level and exact diagonalization. For the total energies GW capt...... (Hubbard models) where correlation effects dominate over screening/relaxation effects. Finally we illustrate the important role of the derivative discontinuity of the true exchange-correlation functional by computing the exact Kohn-Sham levels of benzene....

  4. Numerical calculation of beam coupling impedances in synchrotron accelerators

    International Nuclear Information System (INIS)

    Haenichen, Lukas

    2016-01-01

    Beams of charged particles are of interest in various fields of research including particle and nuclear physics, material and medical science and many more. In synchrotron accelerators the accelerating section is passed periodically. A closed loop trajectory is enforced, by increasing the frequency of the accelerating electric field and the magnitude of the dipolar magnetic guide field synchronously. A synchrotron therefore consists of a circular assembly of various beamline elements which serve the purposes of accelerating and guiding the particle beam. For the flawless operation of such a machine it has to be assured that the particles perform a controlled motion along predefined trajectories. Amongst others, the fulfillment of the corresponding stability criteria is in close conjuction with the so-called beam coupling impedances which are an important figure of merit for collective effects in synchrotron accelerators. This work focuses on analytical and numerical methods for the calculation of beam coupling impedances. One of the primary objectives is to gain a better understanding of the electrodynamics related to charged particle beams, furthermore to recapitulate the mathematical description of charged particle beams in both time and frequency domain and finally establish the links between actual physics and numerical modeling. Analytical methods are usually restricted to symmetrical geometry and may solely serve for the approximate determination of the field distribution in real geometries or to validate certain numerical methods. More accurate prognosis is only possible with three-dimensional simulation models. Numerical simulation techniques have been established in the second half of the last century accompanying the evolution of many particle accelerators. Classical time domain codes were the prevailing simulation tools where the actual process of the particle motion sequence is reproduced. For the present case of a heavy ion synchrotron accelerator

  5. Numerical calculation of beam coupling impedances in synchrotron accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Haenichen, Lukas

    2016-07-01

    Beams of charged particles are of interest in various fields of research including particle and nuclear physics, material and medical science and many more. In synchrotron accelerators the accelerating section is passed periodically. A closed loop trajectory is enforced, by increasing the frequency of the accelerating electric field and the magnitude of the dipolar magnetic guide field synchronously. A synchrotron therefore consists of a circular assembly of various beamline elements which serve the purposes of accelerating and guiding the particle beam. For the flawless operation of such a machine it has to be assured that the particles perform a controlled motion along predefined trajectories. Amongst others, the fulfillment of the corresponding stability criteria is in close conjuction with the so-called beam coupling impedances which are an important figure of merit for collective effects in synchrotron accelerators. This work focuses on analytical and numerical methods for the calculation of beam coupling impedances. One of the primary objectives is to gain a better understanding of the electrodynamics related to charged particle beams, furthermore to recapitulate the mathematical description of charged particle beams in both time and frequency domain and finally establish the links between actual physics and numerical modeling. Analytical methods are usually restricted to symmetrical geometry and may solely serve for the approximate determination of the field distribution in real geometries or to validate certain numerical methods. More accurate prognosis is only possible with three-dimensional simulation models. Numerical simulation techniques have been established in the second half of the last century accompanying the evolution of many particle accelerators. Classical time domain codes were the prevailing simulation tools where the actual process of the particle motion sequence is reproduced. For the present case of a heavy ion synchrotron accelerator

  6. Exact mean-field theory of ionic solutions: non-Debye screening

    International Nuclear Information System (INIS)

    Varela, L.M.; Garcia, Manuel; Mosquera, Victor

    2003-01-01

    The main aim of this report is to analyze the equilibrium properties of primitive model (PM) ionic solutions in the formally exact mean-field formalism. Previously, we review the main theoretical and numerical results reported throughout the last century for homogeneous (electrolytes) and inhomogeneous (electric double layer, edl) ionic systems, starting with the classical mean-field theory of electrolytes due to Debye and Hueckel (DH). In this formalism, the effective potential is derived from the Poisson-Boltzmann (PB) equation and its asymptotic behavior analyzed in the classical Debye theory of screening. The thermodynamic properties of electrolyte solutions are briefly reviewed in the DH formalism. The main analytical and numerical extensions of DH formalism are revised, ranging from the earliest extensions that overcome the linearization of the PB equation to the more sophisticated integral equation techniques introduced after the late 1960s. Some Monte Carlo and molecular dynamic simulations are also reviewed. The potential distributions in an inhomogeneous ionic system are studied in the classical PB framework, presenting the classical Gouy-Chapman (GC) theory of the electric double layer (edl) in a brief manner. The mean-field theory is adequately contextualized using field theoretic (FT) results and it is proven that the classical PB theory is recovered at the Gaussian or one-loop level of the exact FT, and a systematic way to obtain the corrections to the DH theory is derived. Particularly, it is proven following Kholodenko and Beyerlein that corrections to DH theory effectively lead to a renormalization of charges and Debye screening length. The main analytical and numerical results for this non-Debye screening length are reviewed, ranging from asymptotic expansions, self-consistent theory, nonlinear DH results and hypernetted chain (HNC) calculations. Finally, we study the exact mean-field theory of ionic solutions, the so-called dressed-ion theory

  7. Exact Finite Differences. The Derivative on Non Uniformly Spaced Partitions

    Directory of Open Access Journals (Sweden)

    Armando Martínez-Pérez

    2017-10-01

    Full Text Available We define a finite-differences derivative operation, on a non uniformly spaced partition, which has the exponential function as an exact eigenvector. We discuss some properties of this operator and we propose a definition for the components of a finite-differences momentum operator. This allows us to perform exact discrete calculations.

  8. Rotation harmonics for a numerical diatomic potential

    International Nuclear Information System (INIS)

    Kobeissi, H.; Korek, M.

    1983-01-01

    The problem of the determination of the rotation harmonics phi 1 , phi 2 , ... for the case of a numerical diatomic potential is considered. These harmonics defined in a recent work by psisub(vJ) = psisub(vO) + lambda 2 phi 2 + ... (where psisub(vJ) is the wave function of the vibration level v and the rotation level J, and lambda = J(J+1)) are studied for the case of the Dunham potential and for a numerical potential defined by the coordinates of its turning points with polynomial interpolations and extrapolations. It is proved that the analytical expressions of the harmonics phi 1 , phi 2 , ... reduce to polynomials where the coefficients are simply related to those of the potential in the case of the Dunham potential, and to the coordinates of the turning points in the case of the numerical potential. The numerical application is simple. The examples presented show that the vibration-rotation wave function psisub(vJ) calculated by using two harmonics only is ''exact'' up to eight significant figures

  9. Numerical methods for calculating thermal residual stresses and hydrogen diffusion

    International Nuclear Information System (INIS)

    Leblond, J.B.; Devaux, J.; Dubois, D.

    1983-01-01

    Thermal residual stresses and hydrogen concentrations are two major factors intervening in cracking phenomena. These parameters were numerically calculated by a computer programme (TITUS) using the FEM, during the deposition of a stainless clad on a low-alloy plate. The calculation was performed with a 2-dimensional option in four successive steps: thermal transient calculation, metallurgical transient calculation (determination of the metallurgical phase proportions), elastic-plastic transient (plain strain conditions), hydrogen diffusion transient. Temperature and phase dependence of hydrogen diffusion coefficient and solubility constant. The following results were obtained: thermal calculations are very consistent with experiments at higher temperatures (due to the introduction of fusion and solidification latent heats); the consistency is not as good (by 70 degrees) for lower temperatures (below 650 degrees C); this was attributed to the non-introduction of gamma-alpha transformation latent heat. The metallurgical phase calculation indicates that the heat affected zone is almost entirely transformed into bainite after cooling down (the martensite proportion does not exceed 5%). The elastic-plastic calculations indicate that the stresses in the heat affected zone are compressive or slightly tensile; on the other hand, higher tensile stresses develop on the boundary of the heat affected zone. The transformation plasticity has a definite influence on the final stress level. The return of hydrogen to the clad during the bainitic transformation is but an incomplete phenomenon and the hydrogen concentration in the heat affected zone after cooling down to room temperature is therefore sufficient to cause cold cracking (if no heat treatment is applied). Heat treatments are efficient in lowering the hydrogen concentration. These results enable us to draw preliminary conclusions on practical means to avoid cracking. (orig.)

  10. The exact effects of radiation and joule heating on magnetohydrodynamic Marangoni convection over a flat surface

    Directory of Open Access Journals (Sweden)

    Khaled S.M.

    2018-01-01

    Full Text Available In this paper, we re-investigate the problem describing effects of radiation, Joule heating, and viscous dissipation on magnetohydrodynamic Marangoni convection boundary layer over a flat surface with suction/injection. The analytical solution obtained for the reduced system of non-linear-coupled differential equations governing the problem. Laplace transform successfully implemented to get the exact expression for the temperature profile. Furthermore, comparing the current exact results with approximate numerical results obtained using Runge-Kutta-Fehlberg method is introduced. These comparisons declare that the published numerical results agree with the current exact results. In addition, the effects of various parameters on the temperature profile are discussed graphically.

  11. Resistivity of strong-scattering alloys: Absence of localization and success of coherent-potential approximation confirmed by exact supercell calculations in V/sub 1-//sub x/Al/sub x/

    International Nuclear Information System (INIS)

    Brown, R.H.; Allen, P.B.; Nicholson, D.M.; Butler, W.H.

    1989-01-01

    A supercell procedure for exact evaluation of the one-electron Kubo-Greenwood formula is applied to the resistivity rho of V/sub 1-//sub x/Al/sub x/ alloys and compared with a Korringa-Kohn-Rostoker coherent-potential approximation calculation. The results of these calculations agree well, consistent with the observation of delocalized eigenstates, in spite of the very high resistivity, rho≅200 μΩ cm

  12. First-principles calculations of mobility

    Science.gov (United States)

    Krishnaswamy, Karthik

    First-principles calculations can be a powerful predictive tool for studying, modeling and understanding the fundamental scattering mechanisms impacting carrier transport in materials. In the past, calculations have provided important qualitative insights, but numerical accuracy has been limited due to computational challenges. In this talk, we will discuss some of the challenges involved in calculating electron-phonon scattering and carrier mobility, and outline approaches to overcome them. Topics will include the limitations of models for electron-phonon interaction, the importance of grid sampling, and the use of Gaussian smearing to replace energy-conserving delta functions. Using prototypical examples of oxides that are of technological importance-SrTiO3, BaSnO3, Ga2O3, and WO3-we will demonstrate computational approaches to overcome these challenges and improve the accuracy. One approach that leads to a distinct improvement in the accuracy is the use of analytic functions for the band dispersion, which allows for an exact solution of the energy-conserving delta function. For select cases, we also discuss direct quantitative comparisons with experimental results. The computational approaches and methodologies discussed in the talk are general and applicable to other materials, and greatly improve the numerical accuracy of the calculated transport properties, such as carrier mobility, conductivity and Seebeck coefficient. This work was performed in collaboration with B. Himmetoglu, Y. Kang, W. Wang, A. Janotti and C. G. Van de Walle, and supported by the LEAST Center, the ONR EXEDE MURI, and NSF.

  13. Jurin's law revisited: Exact meniscus shape and column height.

    Science.gov (United States)

    Liu, Sai; Li, Shanpeng; Liu, Jianlin

    2018-03-30

    Capillary rise of a liquid column is a historical problem, which has normally been formulated by Jurin's law. In the present study, we investigate the exact solutions of the column height, considering the real shape of the meniscus according to the Young-Laplace equation. The analytical solution in the planar model and the numerical solution in the axisymmetric model on the meniscus shape are both given, which are compared with the results from Jurin's law, modified Jurin's law and Surface Evolver simulation. The results quantitatively show that when the distance between the two plates or the diameter of the tube becomes bigger, Jurin's law and modified Jurin's law would cause serious errors, and the profile morphology of the meniscus must be calculated according to the Young-Laplace equation. These findings are beneficial for us to better understand the mechanism of capillarity and wetting, which are promising for such areas as oil displacement, ore floatation, building materials, fabrics, etc.

  14. Exact and Numerical Solutions of a Spatially-Distributed Mathematical Model for Fluid and Solute Transport in Peritoneal Dialysis

    Directory of Open Access Journals (Sweden)

    Roman Cherniha

    2016-06-01

    Full Text Available The nonlinear mathematical model for solute and fluid transport induced by the osmotic pressure of glucose and albumin with the dependence of several parameters on the hydrostatic pressure is described. In particular, the fractional space available for macromolecules (albumin was used as a typical example and fractional fluid void volume were assumed to be different functions of hydrostatic pressure. In order to find non-uniform steady-state solutions analytically, some mathematical restrictions on the model parameters were applied. Exact formulae (involving hypergeometric functions for the density of fluid flux from blood to tissue and the fluid flux across tissues were constructed. In order to justify the applicability of the analytical results obtained, a wide range of numerical simulations were performed. It was found that the analytical formulae can describe with good approximation the fluid and solute transport (especially the rate of ultrafiltration for a wide range of values of the model parameters.

  15. Numerical Calculation and Measurement of Nonlinear Acoustic Fields in Ultrasound Diagnosis

    Science.gov (United States)

    Kawagishi, Tetsuya; Saito, Shigemi; Mine, Yoshitaka

    2002-05-01

    In order to develop a tool for designing on the ultrasonic probe and its peripheral devices for tissue-harmonic-imaging systems, a study is carried out to compare the calculation and observation results of nonlinear acoustic fields for a diagnostic ultrasound system. The pulsed ultrasound with a center frequency of 2.5 MHz is emanated from a weakly focusing sector probe with a 6.5 mm aperture radius and a 50 mm focal length into an agar phantom with an attenuation coefficient of about 0.6 dB/cm/MHz or 1.2 dB/cm/MHz. The nonlinear acoustic field is measured using a needle-type hydrophone. The calculation is based on the Khokhlov-Zabolotskaya-Kuznetsov(KZK) equation which is modified so that the frequency dependence of the attenuation coefficient is the same as that in biological tissue. This equation is numerically solved with the implicit backward method employing the iterative method. The measured and calculated amplitude spectra show good agreement with each other.

  16. Numerical analysis of the p-barN system with continuous set of resonances in the annihilation channel

    International Nuclear Information System (INIS)

    Kuperin, Yu.A.; Levin, S.B.; Melnikov, Yu.B.; Yarevsky, E.A.

    1996-01-01

    The exact expressions for the partial S-matrix elements for p-barn and p-barp systems are obtained in the extended Hilbert-space model with continuous spectrum of resonances treated as the annihilation channel. A numerical algorithm for the scattering-data calculation is suggested. A satisfactory agreement between experimental and theoretical data is obtained

  17. Exact constants in approximation theory

    CERN Document Server

    Korneichuk, N

    1991-01-01

    This book is intended as a self-contained introduction for non-specialists, or as a reference work for experts, to the particular area of approximation theory that is concerned with exact constants. The results apply mainly to extremal problems in approximation theory, which in turn are closely related to numerical analysis and optimization. The book encompasses a wide range of questions and problems: best approximation by polynomials and splines; linear approximation methods, such as spline-approximation; optimal reconstruction of functions and linear functionals. Many of the results are base

  18. Calculation laboratory: game based learning in exact discipline

    Directory of Open Access Journals (Sweden)

    André Felipe de Almeida Xavier

    2017-12-01

    Full Text Available The Calculation Laboratory appeared with the need to give meaning to the learning of students entering the courses of Engineering, in the discipline of Differential Calculus, in the semester 1/2016. After obtaining good results, the activity was also extended to the classes of Analytical Geometry and Linear Algebra (GAAL and Integral Calculus, so that these incoming students could continue the process. Historically, students present some difficulty in these contents, and it is necessary to give meaning to their learning. Given the table presented, the Calculation Laboratory aims to give meaning to the contents worked, giving students autonomy, having the teacher as the tutor, as intermediary between the student and the knowledge, creating various practical, playful and innovative activities to assist in this process. Through this article, it is intended to report a little about the activities created to facilitate this process of execution of the Calculation Laboratory, in addition to demonstrating the results obtained and measured after its application. Through these proposed activities, it is noticed that the student is gradually gaining autonomy in the search for knowledge.

  19. Stochastic epidemic-type model with enhanced connectivity: exact solution

    International Nuclear Information System (INIS)

    Williams, H T; Mazilu, I; Mazilu, D A

    2012-01-01

    We present an exact analytical solution to a one-dimensional model of the susceptible–infected–recovered (SIR) epidemic type, with infection rates dependent on nearest-neighbor occupations. We use a quantum mechanical approach, transforming the master equation via a quantum spin operator formulation. We calculate exactly the time-dependent density of infected, recovered and susceptible populations for random initial conditions. Our results compare well with those of previous work, validating the model as a useful tool for additional and extended studies in this important area. Our model also provides exact solutions for the n-point correlation functions, and can be extended to more complex epidemic-type models

  20. Exactly and quasi-exactly solvable 'discrete' quantum mechanics.

    Science.gov (United States)

    Sasaki, Ryu

    2011-03-28

    A brief introduction to discrete quantum mechanics is given together with the main results on various exactly solvable systems. Namely, the intertwining relations, shape invariance, Heisenberg operator solutions, annihilation/creation operators and dynamical symmetry algebras, including the q-oscillator algebra and the Askey-Wilson algebra. A simple recipe to construct exactly and quasi-exactly solvable (QES) Hamiltonians in one-dimensional 'discrete' quantum mechanics is presented. It reproduces all the known Hamiltonians whose eigenfunctions consist of the Askey scheme of hypergeometric orthogonal polynomials of a continuous or a discrete variable. Several new exactly and QES Hamiltonians are constructed. The sinusoidal coordinate plays an essential role.

  1. Basic numerical processing, calculation, and working memory in children with dyscalculia and/or ADHD symptoms.

    Science.gov (United States)

    Kuhn, Jörg-Tobias; Ise, Elena; Raddatz, Julia; Schwenk, Christin; Dobel, Christian

    2016-09-01

    Deficits in basic numerical skills, calculation, and working memory have been found in children with developmental dyscalculia (DD) as well as children with attention-deficit/hyperactivity disorder (ADHD). This paper investigates cognitive profiles of children with DD and/or ADHD symptoms (AS) in a double dissociation design to obtain a better understanding of the comorbidity of DD and ADHD. Children with DD-only (N = 33), AS-only (N = 16), comorbid DD+AS (N = 20), and typically developing controls (TD, N = 40) were assessed on measures of basic numerical processing, calculation, working memory, processing speed, and neurocognitive measures of attention. Children with DD (DD, DD+AS) showed deficits in all basic numerical skills, calculation, working memory, and sustained attention. Children with AS (AS, DD+AS) displayed more selective difficulties in dot enumeration, subtraction, verbal working memory, and processing speed. Also, they generally performed more poorly in neurocognitive measures of attention, especially alertness. Children with DD+AS mostly showed an additive combination of the deficits associated with DD-only and A_Sonly, except for subtraction tasks, in which they were less impaired than expected. DD and AS appear to be related to largely distinct patterns of cognitive deficits, which are present in combination in children with DD+AS.

  2. The numerical method of inverse Laplace transform for calculation of overvoltages in power transformers and test results

    Directory of Open Access Journals (Sweden)

    Mikulović Jovan Č.

    2014-01-01

    Full Text Available A methodology for calculation of overvoltages in transformer windings, based on a numerical method of inverse Laplace transform, is presented. Mathematical model of transformer windings is described by partial differential equations corresponding to distributed parameters electrical circuits. The procedure of calculating overvoltages is applied to windings having either isolated neutral point, or grounded neutral point, or neutral point grounded through impedance. A comparative analysis of the calculation results obtained by the proposed numerical method and by analytical method of calculation of overvoltages in transformer windings is presented. The results computed by the proposed method and measured voltage distributions, when a voltage surge is applied to a three-phase 30 kVA power transformer, are compared. [Projekat Ministartsva nauke Republike Srbije, br. TR-33037 i br. TR-33020

  3. Numerical procedure for the calculation of nonsteady spherical shock fronts with radiation

    International Nuclear Information System (INIS)

    Winkler, K.H.

    The basis of the numerical method is an implicit difference scheme with time backward differences to a freely moving coordinate system. The coordinate system itself is determined simultaneously with the iterative solution of the physical equations as a function of the physical variables. Shock fronts, even nonsteady ones, are calculated as discontinuities according to the Rankine--Hugoniot equations. The radiation field is obtained from the two-dimensional, static, spherically symmetric transport equation in conjunction with the time-dependent one-dimensional moment equations. No artificial viscosity of any type is ever used. The applicability of the method developed is demonstrated by an example involving the calculation of protostar collapse. 11 figures

  4. Numerical calculation of flashing from long pipes using a two-field model

    International Nuclear Information System (INIS)

    Rivard, W.C.; Torrey, M.D.

    1976-05-01

    A two-field model for two-phase flows, in which the vapor and liquid phases have different densities, velocities, and temperatures, has been used to calculate the flashing of water from long pipes. The IMF (Implicit Multifield) technique is used to numerically solve the transient equations that govern the dynamics of each phase. The flow physics is described with finite rate phase transitions, interfacial friction, heat transfer, pipe wall friction, and appropriate state equations. The results of the calculations are compared with measured histories of pressure, temperature, and void fraction. A parameter study indicates the relative sensitivity of the results to the various physical models that are used

  5. Numerical calculation of flashing from long pipes using a two-field model

    International Nuclear Information System (INIS)

    Rivard, W.C.; Torrey, M.D.

    1975-11-01

    A two-field model for two-phase flows, in which the vapor and liquid phases have different densities, velocities, and temperatures, has been used to calculate the flashing of water from long pipes. The IMF (Implicit Multifield) technique is used to numerically solve the transient equations that govern the dynamics of each phase. The flow physics is described with finite rate phase transitions, interfacial friction, heat transfer, pipe wall friction, and appropriate state equations. The results of the calculations are compared with measured histories of pressure, temperature, and void fraction. A parameter study indicates the relative sensitivity of the results to the various physical models that are used

  6. Exact Rayleigh scattering calculations for use with the Nimbus-7 Coastal Zone Color Scanner

    Science.gov (United States)

    Gordon, Howard R.; Brown, James W.; Evans, Robert H.

    1988-01-01

    The radiance reflected from a plane-parallel atmosphere and flat sea surface in the absence of aerosols has been determined with an exact multiple scattering code to improve the analysis of Nimbus-7 CZCS imagery. It is shown that the single scattering approximation normally used to compute this radiance can result in errors of up to 5 percent for small and moderate solar zenith angles. A scheme to include the effect of variations in the surface pressure in the exact computation of the Rayleigh radiance is discussed. The results of an application of these computations to CZCS imagery suggest that accurate atmospheric corrections can be obtained for solar zenith angles at least as large as 65 deg.

  7. Exactly solvable models in many-body theory

    CERN Document Server

    March, N H

    2016-01-01

    The book reviews several theoretical, mostly exactly solvable, models for selected systems in condensed states of matter, including the solid, liquid, and disordered states, and for systems of few or many bodies, both with boson, fermion, or anyon statistics. Some attention is devoted to models for quantum liquids, including superconductors and superfluids. Open problems in relativistic fields and quantum gravity are also briefly reviewed.The book ranges almost comprehensively, but concisely, across several fields of theoretical physics of matter at various degrees of correlation and at different energy scales, with relevance to molecular, solid-state, and liquid-state physics, as well as to phase transitions, particularly for quantum liquids. Mostly exactly solvable models are presented, with attention also to their numerical approximation and, of course, to their relevance for experiments.

  8. THE NUMERICAL ALGORITHM FOR CALCULATING TEMPERATURE FIELDS OF THE PNEUMATIC TIRES DURING VULCANIZATION

    Directory of Open Access Journals (Sweden)

    S. G. Tikhomirov

    2015-01-01

    Full Text Available In the article discussed the mathematical formulation and numerical algorithm for solving the problem of calculating the temperature field in the process vulcanizing of the product, whose the thermal characteristics are depended on the temperature. As a mathematical model considered the system of differential equations of heat conduction, taking into account the change in the coefficients of thermal conductivity and heat density in multilayer product of the temperature. The system of equations is solved for a given initial distribution of temperature and for a given (time-dependent temperatures on the border of the product to the press-mold and to the diaphragm. On the border of the contacts of adjacent layers are given the condition of continuity of temperature and heat flux. Change of the thermal conductivity from the time is approximated by linear functions. The activation energy of the vulcanization process is determined on the basis of experimental data obtained in the control test samples using a reometer. Considering the function representing the corresponding integrals of the thermal conductivity, the original system of differential equations is transformed to an equivalent system of differential equations convenient for constructing numerical algorithms for solving the problem. The resulting system of partial differential equations derived using the method of finite-difference approximation is replaced by a system of algebraic equations. Solution of the system of algebraic equations is carried out under the scheme explicit difference approximation. In the article calculated the temperature field for the tire at given initial and boundary conditions. Stability and accuracy of the numerical algorithm for solving the problem is demonstrated by the calculations performed with different sampling step along the time and space coordinates. Assessment of the degree of completion of the process is carried out by calculated equivalent time for

  9. Parquet theory in nuclear structure calculations

    International Nuclear Information System (INIS)

    Bergli, Elise

    2010-01-01

    The thesis concerns a numerical implementation of the Parquet summation of diagrams within Green's functions theory applied to calculations of nuclear systems. The main motivation has been to investigate whether it is possible to develop this approach to a level comparable in accuracy and reliability to other ab initio nuclear structure methods. The Green's functions approach is theoretically well-established in many-body theory, but to our knowledge, no actual application to nuclear systems has been previously published. It has a number of desirable properties, foremost the gently scaling with system size compared to direct diagonalization and the closeness to experimentally accessible quantities. The main drawback is the numerical instabilities due to the pole structure of the one-particle propagator, leading to convergence difficulties. This issue is one of the main focal points of the work presented in this thesis, and strategies to improve the convergence properties are described and investigated. We have applied the method both to a simple model which can be solved by exact diagonalization and to the more realistic 4 He system. The results shows that our implementation is close to the exact solution in the simple model as long as the interaction strengths are small. As the number of particles increases, convergence is increasingly hard to obtain. In the 4 He case, we obtain results in the vicinity of the results from comparable approaches. The numerical in-stabilities in the current implementation still prevents the desired accuracy and stability necessary to achieve the current benchmark standards. (Author)

  10. Simple method to calculate percolation, Ising and Potts clusters

    International Nuclear Information System (INIS)

    Tsallis, C.

    1981-01-01

    A procedure ('break-collapse method') is introduced which considerably simplifies the calculation of two - or multirooted clusters like those commonly appearing in real space renormalization group (RG) treatments of bond-percolation, and pure and random Ising and Potts problems. The method is illustrated through two applications for the q-state Potts ferromagnet. The first of them concerns a RG calculation of the critical exponent ν for the isotropic square lattice: numerical consistence is obtained (particularly for q→0) with den Nijs conjecture. The second application is a compact reformulation of the standard star-triangle and duality transformations which provide the exact critical temperature for the anisotropic triangular and honeycomb lattices. (Author) [pt

  11. Time-dependent magnetization of a type-II superconductor numerically calculated by using the flux-creep equation

    International Nuclear Information System (INIS)

    Lee, J. H.; Park, I. S.; Ahmad, D.; Kim, D.; Kim, Y. C.; Ko, R. K.; Jeong, D. Y.

    2012-01-01

    The macroscopic magnetic behaviors of a type-II superconductor, such as the field- or the temperature-dependent magnetization, have been described by using critical state models. However, because the models are time-independent, the magnetic relaxation in a type-II superconductor cannot be described by them, and the time dependence of the magnetization can affect the field or the temperature-dependent magnetization curve described by the models. In order to avoid the time independence of critical state models, we try the numerical calculation used by Qin et al., who mainly calculated the temperature dependence of the ac susceptibility χ(T). Their calculation showed that the frequency-dependent χ(T) could be obtained by using the flux-creep equation. We calculated the field-dependent magnetization and magnetic relaxation by using a numerical method. The calculated field-dependent magnetization M(H) curves shows the shapes of a typical type-II superconductor. The calculated magnetic relaxation do not show a logarithmic decay of the magnetization, but the addition of a surface barrier to the relaxation calculation caused a clear logarithmic decay of the magnetization, producing a crossover at a mid-time. This means that the logarithmic magnetic relaxation is caused by not only flux creep but also a combination of flux creep and a surface barrier.

  12. Exact Results in Non-Supersymmetric Large N Orientifold Field Theories

    CERN Document Server

    Armoni, Adi; Veneziano, Gabriele

    2003-01-01

    We consider non-supersymmetric large N orientifold field theories. Specifically, we discuss a gauge theory with a Dirac fermion in the anti-symmetric tensor representation. We argue that, at large N and in a large part of its bosonic sector, this theory is non-perturbatively equivalent to N=1 SYM, so that exact results established in the latter (parent) theory also hold in the daughter orientifold theory. In particular, the non-supersymmetric theory has an exactly calculable bifermion condensate, exactly degenerate parity doublets, and a vanishing cosmological constant (all this to leading order in 1/N).

  13. A Scientific Calculator for Exact Real Number Computation Based on LRT, GMP and FC++

    Directory of Open Access Journals (Sweden)

    J. A. Hernández

    2012-03-01

    Full Text Available Language for Redundant Test (LRT is a programming language for exact real number computation. Its lazy evaluation mechanism (also called call-by-need and its infinite list requirement, make the language appropriate to be implemented in a functional programming language such as Haskell. However, a direction translation of the operational semantics of LRT into Haskell as well as the algorithms to implement basic operations (addition subtraction, multiplication, division and trigonometric functions (sin, cosine, tangent, etc. makes the resulting scientific calculator time consuming and so inefficient. In this paper, we present an alternative implementation of the scientific calculator using FC++ and GMP. FC++ is a functional C++ library while GMP is a GNU multiple presicion library. We show that a direct translation of LRT in FC++ results in a faster scientific calculator than the one presented in Haskell.El lenguaje de verificación redundante (LRT, por sus siglas en inglés es un lenguaje de programación para el cómputo con números reales exactos. Su método de evaluación lazy (o mejor conocido como llamada por necesidad y el manejo de listas infinitas requerido, hace que el lenguaje sea apropiado para su implementación en un lenguaje funcional como Haskell. Sin embargo, la implementación directa de la semántica operacional de LRT en Haskell así como los algoritmos para funciones básicas (suma, resta, multiplicación y división y funciones trigonométricas (seno, coseno, tangente, etc hace que la calculadora científica resultante sea ineficiente. En este artículo, presentamos una implementación alternativa de la calculadora científica usando FC++ y GMP. FC++ es una librería que utiliza el paradigma Funcional en C++ mientras que GMP es una librería GNU de múltiple precisión. En el artículo mostramos que la implementación directa de LRT en FC++ resulta en una librería más eficiente que la implementada en Haskell.

  14. Numerical Calculation of Interaction Between Plane Jet and Subsonic Flow

    Directory of Open Access Journals (Sweden)

    V. O. Moskalenko

    2016-01-01

    Full Text Available The paper makes numerical calculation of interaction between plane jet and subsonic flow. Its aim is to determine the jet trajectory, velocity profiles, distribution of pressure coefficient on the plate surface at different jet angles, namely ωj=45°; 90°; 105° and at low blowing strengths ( ≤1.5 as well as a to make comparison with the experimental data of other authors.To simulate a two-dimensional jet in the subsonic flow the software package “CAD SolidWorks Flow Simulation” has been used. Initially, the test task was solved with its calculation results compared with experimental ones [6.8] in order to improve the convergence; the size of the computational domain and a computational grid within the k-ε turbulence model were selected. As a result of the calculation, were identified and analysed the pressure values, jet trajectories, and velocity profiles. In the graphs the solid lines show calculation results, and dots represent experimental data.From the calculation results it is seen that, with increasing intensity of the reduced mass flow ¯q in the above range, the change of the jet pressure coefficient p¯ distribution behind a slotted nozzle is almost linear and significant. Before the nozzle, with increasing ¯q the pressure coefficient increases slightly.Analysis of results has shown that blowing of jets with ωj>90ω, provides a greater perturbation of the subsonic flow. Thus, the jet penetrates into the flow deeper, forms a dead region of the greater length, and more significantly redistributes the pressure coefficient on the surface of the plate.The calculation results are in good compliance with the experimental data both for the jet axis and for the pressure coefficient distribution on the plate surface. The research results can be used in the designing the jet control of aircrafts.

  15. Calculation of the thermal utilization factor in a heterogeneous slab cell scattering neutrons anisotropically

    Energy Technology Data Exchange (ETDEWEB)

    Abdallah, A M; Elsherbiny, E M; Sobhy, M [Reactor departement, nuclear research centre, Inshaas, (Egypt)

    1995-10-01

    The P{sub n}-spatial expansion method has been used for calculating the one speed transport utilization factor in heterogenous slab cells in which neutrons may scatter anisotropically; by considering the P{sup 1-} approximation with a two-term scattering kernel in both the fuel and moderator regions, an analytical expression for the disadvantage factor has been derived. The numerical results obtained have been shown to be much better than those calculated by the usual P{sup 1-} and P{sup 3-} approximations and comparable with those obtained by some exact methods. 3 tabs.

  16. Numerical method for calculation of 3D viscous turbomachine flow taking into account stator/rotor unsteady interaction

    Energy Technology Data Exchange (ETDEWEB)

    Rusanov, A V; Yershov, S V [Institute of Mechanical Engineering Problems of National Academy of Sciences of Ukraine Kharkov (Ukraine)

    1998-12-31

    The numerical method is suggested for the calculation of the 3D periodically unsteady viscous cascade flow evoked by the aerodynamics interaction of blade rows. Such flow is described by the thin-layer Reynolds-averaged unsteady Navier-Stokes equations. The turbulent effects are simulated with the modified Baldwin-Lomax turbulence model. The problem statement allows to consider an unsteady flow through either a single turbo-machine stage or a multi stage turbomachine. The sliding mesh techniques and the time-space non-oscillatory square interpolation are used in axial spacings to calculate the flow in a computational domain that contains the reciprocally moving elements. The gasdynamical equations are integrated numerically with the implicit quasi-monotonous Godunov`s type ENO scheme of the second or third order of accuracy. The suggested numerical method is incorporated in the FlowER code developed by authors for calculations of the 3D viscous compressible flows through multi stage turbomachines. The numerical results are presented for unsteady turbine stage throughflows. The method suggested is shown to simulate qualitatively properly the main unsteady cascade effects in particular the periodically blade loadings, the propagation of stator wakes through rotor blade passage and the unsteady temperature flowfields for stages with cooled stator blades. (author) 21 refs.

  17. Numerical method for calculation of 3D viscous turbomachine flow taking into account stator/rotor unsteady interaction

    Energy Technology Data Exchange (ETDEWEB)

    Rusanov, A.V.; Yershov, S.V. [Institute of Mechanical Engineering Problems of National Academy of Sciences of Ukraine Kharkov (Ukraine)

    1997-12-31

    The numerical method is suggested for the calculation of the 3D periodically unsteady viscous cascade flow evoked by the aerodynamics interaction of blade rows. Such flow is described by the thin-layer Reynolds-averaged unsteady Navier-Stokes equations. The turbulent effects are simulated with the modified Baldwin-Lomax turbulence model. The problem statement allows to consider an unsteady flow through either a single turbo-machine stage or a multi stage turbomachine. The sliding mesh techniques and the time-space non-oscillatory square interpolation are used in axial spacings to calculate the flow in a computational domain that contains the reciprocally moving elements. The gasdynamical equations are integrated numerically with the implicit quasi-monotonous Godunov`s type ENO scheme of the second or third order of accuracy. The suggested numerical method is incorporated in the FlowER code developed by authors for calculations of the 3D viscous compressible flows through multi stage turbomachines. The numerical results are presented for unsteady turbine stage throughflows. The method suggested is shown to simulate qualitatively properly the main unsteady cascade effects in particular the periodically blade loadings, the propagation of stator wakes through rotor blade passage and the unsteady temperature flowfields for stages with cooled stator blades. (author) 21 refs.

  18. Nested element method in multidimensional neutron diffusion calculations

    International Nuclear Information System (INIS)

    Altiparmakov, D.V.

    1983-01-01

    A new numerical method is developed that is particularly efficient in solving the multidimensional neutron diffusion equation in geometrically complex systems. The needs for a generally applicable and fast running computer code have stimulated the inroad of a nonclassical (R-function) numerical method into the nuclear field. By using the R-functions, the geometrical components of the diffusion problem are a priori analytically implemented into the approximate solution. The class of functions, to which the approximate solution belongs, is chosen as close to the exact solution class as practically acceptable from the time consumption point of view. That implies a drastic reduction of the number of degrees of freedom, compared to the other methods. Furthermore, the reduced number of degrees of freedom enables calculation of large multidimensional problems on small computers

  19. Neutron-deuteron scattering calculations with W-matrix representation of the two-body input

    International Nuclear Information System (INIS)

    Bartnik, E.A.; Haberzettl, H.; Januschke, T.; Kerwath, U.; Sandhas, W.

    1987-05-01

    Employing the W-matrix representation of the partial-wave T matrix introduced by Bartnik, Haberzettl, and Sandhas, we show for the example of the Malfliet-Tjon potentials I and III that the single-term separable part of the W-matrix representation, when used as input in three-nucleon neutron-deuteron scattering calculations, is fully capable of reproducing the exact results obtained by Kloet and Tjon. This approximate two-body input not only satisfies the two-body off-shell unitarity relation but, moreover, it also contains a parameter which may be used in optimizing the three-body data. We present numerical evidence that there exists a variational (minimum) principle for the determination of the three-body binding energy which allows one to choose this parameter also in the absence of an exact reference calculation. Our results for neutron-deuteron scattering show that it is precisely this choice of the parameter which provides optimal scattering data. We conclude that the W-matrix approach, despite its simplicity, is a remarkably efficient tool for high-quality three-nucleon calculations. (orig.)

  20. An Exact Analytical Solution to Exponentially Tapered Piezoelectric Energy Harvester

    Directory of Open Access Journals (Sweden)

    H. Salmani

    2015-01-01

    Full Text Available It has been proven that tapering the piezoelectric beam through its length optimizes the power extracted from vibration based energy harvesting. This phenomenon has been investigated by some researchers using semianalytical, finite element and experimental methods. In this paper, an exact analytical solution is presented to calculate the power generated from vibration of exponentially tapered unimorph and bimorph with series and parallel connections. The mass normalized mode shapes of the exponentially tapered piezoelectric beam with tip mass are implemented to transfer the proposed electromechanical coupled equations into modal coordinates. The steady states harmonic solution results are verified both numerically and experimentally. Results show that there exist values for tapering parameter and electric resistance in a way that the output power per mass of the energy harvester will be maximized. Moreover it is concluded that the electric resistance must be higher than a specified value for gaining more power by tapering the beam.

  1. Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory

    DEFF Research Database (Denmark)

    Sharma, S.; Pittalis, S.; Kurth, S.

    2007-01-01

    The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero external magnetic field. We find that for magnetic (Fe, Co......, and Ni) and nonmagnetic (Si and Ge) solids, the exact-exchange current-spin-density functional approach does not significantly improve the accuracy of the corresponding spin-density functional results....

  2. Comparison of linear and non-linear monotonicity-based shape reconstruction using exact matrix characterizations

    DEFF Research Database (Denmark)

    Garde, Henrik

    2018-01-01

    . For a fair comparison, exact matrix characterizations are used when probing the monotonicity relations to avoid errors from numerical solution to PDEs and numerical integration. Using a special factorization of the Neumann-to-Dirichlet map also makes the non-linear method as fast as the linear method...

  3. Exact Stiffness for Beams on Kerr-Type Foundation: The Virtual Force Approach

    Directory of Open Access Journals (Sweden)

    Suchart Limkatanyu

    2013-01-01

    Full Text Available This paper alternatively derives the exact element stiffness equation for a beam on Kerr-type foundation. The shear coupling between the individual Winkler-spring components and the peripheral discontinuity at the boundaries between the loaded and the unloaded soil surfaces are taken into account in this proposed model. The element flexibility matrix is derived based on the virtual force principle and forms the core of the exact element stiffness matrix. The sixth-order governing differential compatibility of the problem is revealed using the virtual force principle and solved analytically to obtain the exact force interpolation functions. The matrix virtual force equation is employed to obtain the exact element flexibility matrix based on the exact force interpolation functions. The so-called “natural” element stiffness matrix is obtained by inverting the exact element flexibility matrix. One numerical example is utilized to confirm the accuracy and the efficiency of the proposed beam element on Kerr-type foundation and to show a more realistic distribution of interactive foundation force.

  4. Angular quadrature generator for neutron transport SN calculations in slab geometry with arbitrary arithmetic precision

    International Nuclear Information System (INIS)

    Dominguez, Dany S.; Oliveira, Francisco B.S.; Barros, Ricardo C.

    2003-01-01

    We present in this paper a multiplatform computational code to calculate elements of Gauss-Legendre angular quadrature sets of arbitrary order used in slab-geometry discrete ordinates (S N ) formulation of neutron transport equation. In the code, the values can be computed with arbitrary arithmetic precision based on the approach of exact computing floating-point numbers. Calculation routines have been developed in the common language ANSI C using standard compiler gcc and the libraries of the open code GMP (GNU Multi precision Library). The code has a graphical interface in order to facilitate user interaction and numerical results analysis. The code architecture allows it to run on different platforms such as Unix, Linux and Windows. Numerical results and performance measures are also given. (author)

  5. The Numerical Calculation and Experimental Measurement of the Inductance Parameters for Permanent Magnet Synchronous Motor in Electric Vehicle

    Science.gov (United States)

    Jiang, Chao; Qiao, Mingzhong; Zhu, Peng

    2017-12-01

    A permanent magnet synchronous motor with radial magnetic circuit and built-in permanent magnet is designed for the electric vehicle. Finite element numerical calculation and experimental measurement are adopted to obtain the direct axis and quadrature axis inductance parameters of the motor which are vital important for the motor control. The calculation method is simple, the measuring principle is clear, the results of numerical calculation and experimental measurement are mutual confirmation. A quick and effective method is provided to obtain the direct axis and quadrature axis inductance parameters of the motor, and then improve the design of motor or adjust the control parameters of the motor controller.

  6. Numerical methods and applications in many fermion systems

    Energy Technology Data Exchange (ETDEWEB)

    Luitz, David J.

    2013-02-07

    This thesis presents results covering several topics in correlated many fermion systems. A Monte Carlo technique (CT-INT) that has been implemented, used and extended by the author is discussed in great detail in chapter 3. The following chapter discusses how CT-INT can be used to calculate the two particle Green's function and explains how exact frequency summations can be obtained. A benchmark against exact diagonalization is presented. The link to the dynamical cluster approximation is made in the end of chapter 4, where these techniques are of immense importance. In chapter 5 an extensive CT-INT study of a strongly correlated Josephson junction is shown. In particular, the signature of the first order quantum phase transition between a Kondo and a local moment regime in the Josephson current is discussed. The connection to an experimental system is made with great care by developing a parameter extraction strategy. As a final result, we show that it is possible to reproduce experimental data from a numerically exact CT-INT model-calculation. The last topic is a study of graphene edge magnetism. We introduce a general effective model for the edge states, incorporating a complicated interaction Hamiltonian and perform an exact diagonalization study for different parameter regimes. This yields a strong argument for the importance of forbidden umklapp processes and of the strongly momentum dependent interaction vertex for the formation of edge magnetism. Additional fragments concerning the use of a Legendre polynomial basis for the representation of the two particle Green's function, the analytic continuation of the self energy for the Anderson Kane Mele Model as well as the generation of test data with a given covariance matrix are documented in the appendix. A final appendix provides some very important matrix identities that are used for the discussion of technical details of CT-INT.

  7. Numerical methods and applications in many fermion systems

    International Nuclear Information System (INIS)

    Luitz, David J.

    2013-01-01

    This thesis presents results covering several topics in correlated many fermion systems. A Monte Carlo technique (CT-INT) that has been implemented, used and extended by the author is discussed in great detail in chapter 3. The following chapter discusses how CT-INT can be used to calculate the two particle Green's function and explains how exact frequency summations can be obtained. A benchmark against exact diagonalization is presented. The link to the dynamical cluster approximation is made in the end of chapter 4, where these techniques are of immense importance. In chapter 5 an extensive CT-INT study of a strongly correlated Josephson junction is shown. In particular, the signature of the first order quantum phase transition between a Kondo and a local moment regime in the Josephson current is discussed. The connection to an experimental system is made with great care by developing a parameter extraction strategy. As a final result, we show that it is possible to reproduce experimental data from a numerically exact CT-INT model-calculation. The last topic is a study of graphene edge magnetism. We introduce a general effective model for the edge states, incorporating a complicated interaction Hamiltonian and perform an exact diagonalization study for different parameter regimes. This yields a strong argument for the importance of forbidden umklapp processes and of the strongly momentum dependent interaction vertex for the formation of edge magnetism. Additional fragments concerning the use of a Legendre polynomial basis for the representation of the two particle Green's function, the analytic continuation of the self energy for the Anderson Kane Mele Model as well as the generation of test data with a given covariance matrix are documented in the appendix. A final appendix provides some very important matrix identities that are used for the discussion of technical details of CT-INT.

  8. Quasi-exact solvability

    International Nuclear Information System (INIS)

    Ushveridze, A.G.

    1992-01-01

    This paper reports that quasi-exactly solvable (QES) models realize principally new type of exact solvability in quantum physics. These models are distinguished by the fact that the Schrodinger equations for them can be solved exactly only for certain limited parts of the spectrum, but not for the whole spectrum. They occupy an intermediate position between the exactly the authors solvable (ES) models and all the others. The number of energy levels for which the spectral problems can be solved exactly refer below to as the order of QES model. From the mathematical point of view the existence of QES models is not surprising. Indeed, if the term exact solvability expresses the possibility of total explicit diagonalization of infinite Hamiltonian matrix, then the term quasi-exact solvability implies the situation when the Hamiltonian matrix can be reduced explicitly to the block-diagonal form with one of the appearing blocks being finite

  9. An exactly solvable model for first- and second-order transitions

    International Nuclear Information System (INIS)

    Klushin, L I; Skvortsov, A M; Gorbunov, A A

    1998-01-01

    The possibility of an exact analytical description of first-order and second-order transitions is demonstrated using a specific microscopic model. Predictions using the exactly calculated partition function are compared with those based on the Landau and Yang-Lee approaches. The model employed is an adsorbed polymer chain with an arbitrary number of links and an external force applied to its end, for which the variation of the partition function with the adsorption interaction parameter and the magnitude of the applied force is calculated. In the thermodynamic limit, the system has one isotropic and two anisotropic, ordered phases, each of which is characterized by two order parameters and between which first-order and second-order transitions occur and a bicritical point exists. The Landau free energy is found exactly as a function of each order parameter separately and, near the bicritical point, as a function of both of them simultaneously. An exact analytical formula is found for the distribution of the complex zeros of the partition function in first-order and second-order phase transitions. Hypotheses concerning the way in which the free energy and the positions of the complex zeros scale with the number of particles N in the system are verified. (reviews of topical problems)

  10. Accurate treatment of material interface dynamics in the calculation of one-dimensional two-phase flows by the integral method of characteristics

    International Nuclear Information System (INIS)

    Shin, Y.W.; Wiedermann, A.H.

    1984-01-01

    Accurate numerical methods for treating the junction and boundary conditions needed in the transient two-phase flows of a piping network were published earlier by us; the same methods are used to formulate the treatment of the material interface as a moving boundary. The method formulated is used in a computer program to calculate sample problems designed to test the numerical methods as to their ability and the accuracy limits for calculation of the transient two-phase flows in the piping network downstream of a PWR pressurizer. Independent exact analytical solutions for the sample problems are used as the basis of a critical evaluation of the proposed numerical methods. The evaluation revealed that the proposed boundary scheme indeed generates very accurate numerical results. However, in some extreme flow conditions, numerical difficulties were experienced that eventually led to numerical instability. This paper discusses further a special technique to overcome the difficulty

  11. Exact braneworld cosmology induced from bulk black holes

    International Nuclear Information System (INIS)

    Gregory, James P; Padilla, Antonio

    2002-01-01

    We use a new, exact approach in calculating the energy density measured by an observer living on a brane embedded in a charged black-hole spacetime. We find that the bulk Weyl tensor gives rise to nonlinear terms in the energy density and pressure in the FRW equations for the brane. Remarkably, these take exactly the same form as the 'unconventional' terms found in the cosmology of branes embedded in pure AdS, with extra matter living on the brane. Black-hole-driven cosmologies have the benefit that there is no ambiguity in splitting the braneworld energy momentum into tension and additional matter. We propose a new, enlarged relationship between the two descriptions of braneworld cosmology. We also study the exact thermodynamics of the field theory and present a generalized Cardy-Verlinde formula in this set-up

  12. ExactPack Documentation

    Energy Technology Data Exchange (ETDEWEB)

    Singleton, Robert Jr. [Los Alamos National Laboratory; Israel, Daniel M. [Los Alamos National Laboratory; Doebling, Scott William [Los Alamos National Laboratory; Woods, Charles Nathan [Los Alamos National Laboratory; Kaul, Ann [Los Alamos National Laboratory; Walter, John William Jr [Los Alamos National Laboratory; Rogers, Michael Lloyd [Los Alamos National Laboratory

    2016-05-09

    For code verification, one compares the code output against known exact solutions. There are many standard test problems used in this capacity, such as the Noh and Sedov problems. ExactPack is a utility that integrates many of these exact solution codes into a common API (application program interface), and can be used as a stand-alone code or as a python package. ExactPack consists of python driver scripts that access a library of exact solutions written in Fortran or Python. The spatial profiles of the relevant physical quantities, such as the density, fluid velocity, sound speed, or internal energy, are returned at a time specified by the user. The solution profiles can be viewed and examined by a command line interface or a graphical user interface, and a number of analysis tools and unit tests are also provided. We have documented the physics of each problem in the solution library, and provided complete documentation on how to extend the library to include additional exact solutions. ExactPack’s code architecture makes it easy to extend the solution-code library to include additional exact solutions in a robust, reliable, and maintainable manner.

  13. Exact solutions of continuous states for Hartmann potential

    International Nuclear Information System (INIS)

    Chen Changyuan; Lu Falin; Sun Dongsheng

    2004-01-01

    In this Letter, we obtain the exact solutions of continuous states for the Hartmann potential. The normalized wave functions of continuous states on the 'k/2π scale' and the calculation formula of phase shifts are presented. Analytical properties of the scattering amplitude are discussed

  14. Calculation of infrared radiation in the atmosphere by a numerical method

    International Nuclear Information System (INIS)

    Nunes, G.S.S.; Viswanadham, Y.

    1981-01-01

    A numerical method is described for the calculations of the atmospheric infrared flux and radiative cooling rate in the atmosphere. It is suitable for use at all levels below lower stratosphere. The square root pressure correction factor is incorporated in the computation of the corrected optical depth. The water vapour flux emissivity data of Staley and Jurica are used in the model. The versatility of the computing scheme sugests that this method is adequate to evaluate infrared flux and flux divergence in the problems involving a large amount of atmospheric data. (Author) [pt

  15. Exact error estimation for solutions of nuclide chain equations

    International Nuclear Information System (INIS)

    Tachihara, Hidekazu; Sekimoto, Hiroshi

    1999-01-01

    The exact solution of nuclide chain equations within arbitrary figures is obtained for a linear chain by employing the Bateman method in the multiple-precision arithmetic. The exact error estimation of major calculation methods for a nuclide chain equation is done by using this exact solution as a standard. The Bateman, finite difference, Runge-Kutta and matrix exponential methods are investigated. The present study confirms the following. The original Bateman method has very low accuracy in some cases, because of large-scale cancellations. The revised Bateman method by Siewers reduces the occurrence of cancellations and thereby shows high accuracy. In the time difference method as the finite difference and Runge-Kutta methods, the solutions are mainly affected by the truncation errors in the early decay time, and afterward by the round-off errors. Even though the variable time mesh is employed to suppress the accumulation of round-off errors, it appears to be nonpractical. Judging from these estimations, the matrix exponential method is the best among all the methods except the Bateman method whose calculation process for a linear chain is not identical with that for a general one. (author)

  16. General theory for calculating disorder-averaged Green's function correlators within the coherent potential approximation

    Science.gov (United States)

    Zhou, Chenyi; Guo, Hong

    2017-01-01

    We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.

  17. Numerical path integral solution to strong Coulomb correlation in one dimensional Hooke's atom

    Science.gov (United States)

    Ruokosenmäki, Ilkka; Gholizade, Hossein; Kylänpää, Ilkka; Rantala, Tapio T.

    2017-01-01

    We present a new approach based on real time domain Feynman path integrals (RTPI) for electronic structure calculations and quantum dynamics, which includes correlations between particles exactly but within the numerical accuracy. We demonstrate that incoherent propagation by keeping the wave function real is a novel method for finding and simulation of the ground state, similar to Diffusion Monte Carlo (DMC) method, but introducing new useful tools lacking in DMC. We use 1D Hooke's atom, a two-electron system with very strong correlation, as our test case, which we solve with incoherent RTPI (iRTPI) and compare against DMC. This system provides an excellent test case due to exact solutions for some confinements and because in 1D the Coulomb singularity is stronger than in two or three dimensional space. The use of Monte Carlo grid is shown to be efficient for which we determine useful numerical parameters. Furthermore, we discuss another novel approach achieved by combining the strengths of iRTPI and DMC. We also show usefulness of the perturbation theory for analytical approximates in case of strong confinements.

  18. Experimental and numerical research on forging with torsion

    Science.gov (United States)

    Petrov, Mikhail A.; Subich, Vadim N.; Petrov, Pavel A.

    2017-10-01

    Increasing the efficiency of the technological operations of blank production is closely related to the computer-aided technologies (CAx). On the one hand, the practical result represents reality exactly. On the other hand, the development procedure of new process development demands unrestricted resources, which are limited on the SMEs. The tools of CAx were successfully applied for development of new process of forging with torsion and result analysis as well. It was shown, that the theoretical calculations find the confirmation both in praxis and during numerical simulation. The mostly used constructional materials were under study. The torque angles were stated. The simulated results were evaluated by experimental procedure.

  19. Numerical Calculation for Whirling Motion of a Centrifugal Blood Pump with Conical Spiral Groove Bearings

    Science.gov (United States)

    Shigemaru, Daichi; Tsukamoto, Hiroshi

    2010-06-01

    Whirling motion of a pump impeller was calculated for the centrifugal blood pump with Conical Spiral Groove Bearings to get a criterion for the instability of impeller whirling motion. The motion of the centrifugal blood pump impeller was calculated based on a spring damping model, and unsteady flow in the pump was computed using the commercial CFD package ANSYS CFX. Also the whirling motion of rotating impeller was measured using two displacement sensors fixed to the blood pump casing. The numerical calculations were done for the blood pump impeller with conical spiral groove bearings, and impeller whirling motion was evaluated.

  20. Determination of Solution Accuracy of Numerical Schemes as Part of Code and Calculation Verification

    Energy Technology Data Exchange (ETDEWEB)

    Blottner, F.G.; Lopez, A.R.

    1998-10-01

    This investigation is concerned with the accuracy of numerical schemes for solving partial differential equations used in science and engineering simulation codes. Richardson extrapolation methods for steady and unsteady problems with structured meshes are presented as part of the verification procedure to determine code and calculation accuracy. The local truncation error de- termination of a numerical difference scheme is shown to be a significant component of the veri- fication procedure as it determines the consistency of the numerical scheme, the order of the numerical scheme, and the restrictions on the mesh variation with a non-uniform mesh. Genera- tion of a series of co-located, refined meshes with the appropriate variation of mesh cell size is in- vestigated and is another important component of the verification procedure. The importance of mesh refinement studies is shown to be more significant than just a procedure to determine solu- tion accuracy. It is suggested that mesh refinement techniques can be developed to determine con- sistency of numerical schemes and to determine if governing equations are well posed. The present investigation provides further insight into the conditions and procedures required to effec- tively use Richardson extrapolation with mesh refinement studies to achieve confidence that sim- ulation codes are producing accurate numerical solutions.

  1. An approach to first principles electronic structure calculation by symbolic-numeric computation

    Directory of Open Access Journals (Sweden)

    Akihito Kikuchi

    2013-04-01

    Full Text Available There is a wide variety of electronic structure calculation cooperating with symbolic computation. The main purpose of the latter is to play an auxiliary role (but not without importance to the former. In the field of quantum physics [1-9], researchers sometimes have to handle complicated mathematical expressions, whose derivation seems almost beyond human power. Thus one resorts to the intensive use of computers, namely, symbolic computation [10-16]. Examples of this can be seen in various topics: atomic energy levels, molecular dynamics, molecular energy and spectra, collision and scattering, lattice spin models and so on [16]. How to obtain molecular integrals analytically or how to manipulate complex formulas in many body interactions, is one such problem. In the former, when one uses special atomic basis for a specific purpose, to express the integrals by the combination of already known analytic functions, may sometimes be very difficult. In the latter, one must rearrange a number of creation and annihilation operators in a suitable order and calculate the analytical expectation value. It is usual that a quantitative and massive computation follows a symbolic one; for the convenience of the numerical computation, it is necessary to reduce a complicated analytic expression into a tractable and computable form. This is the main motive for the introduction of the symbolic computation as a forerunner of the numerical one and their collaboration has won considerable successes. The present work should be classified as one such trial. Meanwhile, the use of symbolic computation in the present work is not limited to indirect and auxiliary part to the numerical computation. The present work can be applicable to a direct and quantitative estimation of the electronic structure, skipping conventional computational methods.

  2. Exact deconstruction of the 6D (2,0) theory

    Science.gov (United States)

    Hayling, J.; Papageorgakis, C.; Pomoni, E.; Rodríguez-Gómez, D.

    2017-06-01

    The dimensional-deconstruction prescription of Arkani-Hamed, Cohen, Kaplan, Karch and Motl provides a mechanism for recovering the A-type (2,0) theories on T 2, starting from a four-dimensional N=2 circular-quiver theory. We put this conjecture to the test using two exact-counting arguments: in the decompactification limit, we compare the Higgs-branch Hilbert series of the 4D N=2 quiver to the "half-BPS" limit of the (2,0) superconformal index. We also compare the full partition function for the 4D quiver on S 4 to the (2,0) partition function on S 4 × T 2. In both cases we find exact agreement. The partition function calculation sets up a dictionary between exact results in 4D and 6D.

  3. Exact deconstruction of the 6D (2,0) theory

    International Nuclear Information System (INIS)

    Hayling, J.; Papageorgakis, C.; Pomoni, E.; Rodriguez-Gomez, D.

    2017-06-01

    The dimensional-deconstruction prescription of Arkani-Hamed, Cohen, Kaplan, Karch and Motl provides a mechanism for recovering the A-type (2,0) theories on T 2 , starting from a four-dimensional N=2 circular-quiver theory. We put this conjecture to the test using two exact-counting arguments: In the decompactification limit, we compare the Higgs-branch Hilbert series of the 4D N=2 quiver to the ''half-BPS'' limit of the (2,0) superconformal index. We also compare the full partition function for the 4D quiver on S 4 to the (2,0) partition function on S 4 x T 2 . In both cases we find exact agreement. The partition function calculation sets up a dictionary between exact results in 4D and 6D.

  4. Parallel computer calculation of quantum spin lattices; Calcul de chaines de spins quantiques sur ordinateur parallele

    Energy Technology Data Exchange (ETDEWEB)

    Lamarcq, J. [Service de Physique Theorique, CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France)

    1998-07-10

    Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane`s conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation 14 refs., 6 figs.

  5. MONOTONIC DERIVATIVE CORRECTION FOR CALCULATION OF SUPERSONIC FLOWS WITH SHOCK WAVES

    Directory of Open Access Journals (Sweden)

    P. V. Bulat

    2015-07-01

    Full Text Available Subject of Research. Numerical solution methods of gas dynamics problems based on exact and approximate solution of Riemann problem are considered. We have developed an approach to the solution of Euler equations describing flows of inviscid compressible gas based on finite volume method and finite difference schemes of various order of accuracy. Godunov scheme, Kolgan scheme, Roe scheme, Harten scheme and Chakravarthy-Osher scheme are used in calculations (order of accuracy of finite difference schemes varies from 1st to 3rd. Comparison of accuracy and efficiency of various finite difference schemes is demonstrated on the calculation example of inviscid compressible gas flow in Laval nozzle in the case of continuous acceleration of flow in the nozzle and in the case of nozzle shock wave presence. Conclusions about accuracy of various finite difference schemes and time required for calculations are made. Main Results. Comparative analysis of difference schemes for Euler equations integration has been carried out. These schemes are based on accurate and approximate solution for the problem of an arbitrary discontinuity breakdown. Calculation results show that monotonic derivative correction provides numerical solution uniformity in the breakdown neighbourhood. From the one hand, it prevents formation of new points of extremum, providing the monotonicity property, but from the other hand, causes smoothing of existing minimums and maximums and accuracy loss. Practical Relevance. Developed numerical calculation method gives the possibility to perform high accuracy calculations of flows with strong non-stationary shock and detonation waves. At the same time, there are no non-physical solution oscillations on the shock wave front.

  6. DKE: a fast numerical solver for the 3-D relativistic bounce-averaged electron drift kinetic equation

    Energy Technology Data Exchange (ETDEWEB)

    Decker, J.; Peysson, Y

    2004-12-01

    A new original code for solving the 3-D relativistic and bounce-averaged electron drift kinetic equation is presented. It designed for the current drive problem in tokamak with an arbitrary magnetic equilibrium. This tool allows self-consistent calculations of the bootstrap current in presence of other external current sources. RF current drive for arbitrary type of waves may be used. Several moments of the electron distribution function are determined, like the exact and effective fractions of trapped electrons, the plasma current, absorbed RF power, runaway and magnetic ripple loss rates and non-thermal Bremsstrahlung. Advanced numerical techniques have been used to make it the first fully implicit (reverse time) 3-D solver, particularly well designed for implementation in a chain of code for realistic current drive calculations in high {beta}{sub p} plasmas. All the details of the physics background and the numerical scheme are presented, as well a some examples to illustrate main code capabilities. Several important numerical points are addressed concerning code stability and potential numerical and physical limitations. (authors)

  7. DKE: a fast numerical solver for the 3-D relativistic bounce-averaged electron drift kinetic equation

    International Nuclear Information System (INIS)

    Decker, J.; Peysson, Y.

    2004-12-01

    A new original code for solving the 3-D relativistic and bounce-averaged electron drift kinetic equation is presented. It designed for the current drive problem in tokamak with an arbitrary magnetic equilibrium. This tool allows self-consistent calculations of the bootstrap current in presence of other external current sources. RF current drive for arbitrary type of waves may be used. Several moments of the electron distribution function are determined, like the exact and effective fractions of trapped electrons, the plasma current, absorbed RF power, runaway and magnetic ripple loss rates and non-thermal Bremsstrahlung. Advanced numerical techniques have been used to make it the first fully implicit (reverse time) 3-D solver, particularly well designed for implementation in a chain of code for realistic current drive calculations in high β p plasmas. All the details of the physics background and the numerical scheme are presented, as well a some examples to illustrate main code capabilities. Several important numerical points are addressed concerning code stability and potential numerical and physical limitations. (authors)

  8. An exact formalism for Doppler-broadened neutron cross-sections

    International Nuclear Information System (INIS)

    Catsaros, Nicolas.

    1985-07-01

    An exact formalism (Ψ, Φ) is proposed for the calculation of Breit-Wigner or Adler-Adler Doppler-broadened neutron cross-sections. The well-known (Ψ, Φ) formalism is shown to be a zero-order approximation of the generalized (Ψ, Φ) formalism. (author)

  9. Calculating complete and exact Pareto front for multiobjective optimization: a new deterministic approach for discrete problems.

    Science.gov (United States)

    Hu, Xiao-Bing; Wang, Ming; Di Paolo, Ezequiel

    2013-06-01

    Searching the Pareto front for multiobjective optimization problems usually involves the use of a population-based search algorithm or of a deterministic method with a set of different single aggregate objective functions. The results are, in fact, only approximations of the real Pareto front. In this paper, we propose a new deterministic approach capable of fully determining the real Pareto front for those discrete problems for which it is possible to construct optimization algorithms to find the k best solutions to each of the single-objective problems. To this end, two theoretical conditions are given to guarantee the finding of the actual Pareto front rather than its approximation. Then, a general methodology for designing a deterministic search procedure is proposed. A case study is conducted, where by following the general methodology, a ripple-spreading algorithm is designed to calculate the complete exact Pareto front for multiobjective route optimization. When compared with traditional Pareto front search methods, the obvious advantage of the proposed approach is its unique capability of finding the complete Pareto front. This is illustrated by the simulation results in terms of both solution quality and computational efficiency.

  10. Determination of hydrogen cluster velocities and comparison with numerical calculations

    International Nuclear Information System (INIS)

    Täschner, A.; Köhler, E.; Ortjohann, H.-W.; Khoukaz, A.

    2013-01-01

    The use of powerful hydrogen cluster jet targets in storage ring experiments led to the need of precise data on the mean cluster velocity as function of the stagnation temperature and pressure for the determination of the volume density of the target beams. For this purpose a large data set of hydrogen cluster velocity distributions and mean velocities was measured at a high density hydrogen cluster jet target using a trumpet shaped nozzle. The measurements have been performed at pressures above and below the critical pressure and for a broad range of temperatures relevant for target operation, e.g., at storage ring experiments. The used experimental method is described which allows for the velocity measurement of single clusters using a time-of-flight technique. Since this method is rather time-consuming and these measurements are typically interfering negatively with storage ring experiments, a method for a precise calculation of these mean velocities was needed. For this, the determined mean cluster velocities are compared with model calculations based on an isentropic one-dimensional van der Waals gas. Based on the obtained data and the presented numerical calculations, a new method has been developed which allows to predict the mean cluster velocities with an accuracy of about 5%. For this two cut-off parameters defining positions inside the nozzle are introduced, which can be determined for a given nozzle by only two velocity measurements

  11. Exact Slater integrals

    International Nuclear Information System (INIS)

    Golden, L.B.

    1968-01-01

    In atomic structure calculations, one has to evaluate the Slater integrals. In the present program, the authors evaluate exactly the Slater integral when hydrogenic wave functions are used for the bound-state orbitals. When hydrogenic wave functions are used, the Slater integrals involve integrands which can be written in the form of a product of an exponential, exp(ax) and a known analytic polynomial function, f(x). By repeated partial integration such an integral can be expressed in terms of a finite series involving the exponential, the polynomial function and its derivatives. PL/1-FORMAC has a built-in subroutine that will analytically find the derivatives of any multinomial. Thus, the finite series and hence the Slater integral can be evaluated analytically. (Auth.)

  12. Boundary conditions of the exact impulse wave function

    International Nuclear Information System (INIS)

    Gravielle, M.; Miraglia, J.E.

    1997-01-01

    The behavior of the exact impulse wave function is investigated at intermediate and high impact energies. Numerical details of the wave function and its perturbative potential are reported. We conclude that the impulse wave function does not tend to the proper Coulomb asymptotic limit. For electron capture, however, it is shown that the impulse wave function produces reliable probabilities even for intermediate velocities and symmetric collision systems. copyright 1997 The American Physical Society

  13. Exact result in strong wave turbulence of thin elastic plates

    Science.gov (United States)

    Düring, Gustavo; Krstulovic, Giorgio

    2018-02-01

    An exact result concerning the energy transfers between nonlinear waves of a thin elastic plate is derived. Following Kolmogorov's original ideas in hydrodynamical turbulence, but applied to the Föppl-von Kármán equation for thin plates, the corresponding Kármán-Howarth-Monin relation and an equivalent of the 4/5 -Kolmogorov's law is derived. A third-order structure function involving increments of the amplitude, velocity, and the Airy stress function of a plate, is proven to be equal to -ɛ ℓ , where ℓ is a length scale in the inertial range at which the increments are evaluated and ɛ the energy dissipation rate. Numerical data confirm this law. In addition, a useful definition of the energy fluxes in Fourier space is introduced and proven numerically to be flat in the inertial range. The exact results derived in this Rapid Communication are valid for both weak and strong wave turbulence. They could be used as a theoretical benchmark of new wave-turbulence theories and to develop further analogies with hydrodynamical turbulence.

  14. Numerical Calculation of Secondary Flow in Pump Volute and Circular Casings using 3D Viscous Flow Techniques

    Directory of Open Access Journals (Sweden)

    K. Majidi

    2000-01-01

    Full Text Available The flow field in volute and circular casings interacting with a centrifugal impeller is obtained by numerical analysis. In the present study, effects of the volute and circular casings on the flow pattern have been investigated by successively combining a volute casing and a circular casing with a single centrifugal impeller. The numerical calculations are carried out with a multiple frame of reference to predict the flow field inside the entire impeller and casings. The impeller flow field is solved in a rotating frame and the flow field in the casings in a stationary frame. The static pressure and velocity in the casing and impeller, and the static pressures and secondary velocity vectors at several cross-sectional planes of the casings are calculated. The calculations show that the curvature of the casings creates pressure gradients that cause vortices at cross-sectional planes of the casings.

  15. Application of optimization numerical methods in calculation of the two-particle nuclear reactions

    International Nuclear Information System (INIS)

    Titarenko, N.N.

    1987-01-01

    An optimization packet of PEAK-OPT applied programs intended for solution of problems of absolute minimization of functions of many variables in calculations of cross sections of binary nuclear reactions is described. The main algorithms of computerized numerical solution of systems of nonlinear equations for the least square method are presented. Principles for plotting and functioning the optimization software as well as results of its practical application are given

  16. A geometrically exact formulation for three-dimensional numerical simulation of the umbilical cable in a deep-sea ROV system

    Science.gov (United States)

    Quan, Wei-cai; Zhang, Zhu-ying; Zhang, Ai-qun; Zhang, Qi-feng; Tian, Yu

    2015-04-01

    This paper proposes a geometrically exact formulation for three-dimensional static and dynamic analyses of the umbilical cable in a deep-sea remotely operated vehicle (ROV) system. The presented formulation takes account of the geometric nonlinearities of large displacement, effects of axial load and bending stiffness for modeling of slack cables. The resulting nonlinear second-order governing equations are discretized spatially by the finite element method and solved temporally by the generalized- α implicit time integration algorithm, which is adapted to the case of varying coefficient matrices. The ability to consider three-dimensional union action of ocean current and ship heave motion upon the umbilical cable is the key feature of this analysis. The presented formulation is firstly validated, and then three numerical examples for the umbilical cable in a deep-sea ROV system are demonstrated and discussed, including the steady configurations only under the action of depth-dependent ocean current, the dynamic responses in the case of the only ship heave motion, and in the case of the combined action of the ship heave motion and ocean current.

  17. Energy spectra of the hyperbolic and second Poeschl-Teller like potentials solved by new exact quantization rule

    International Nuclear Information System (INIS)

    Dong Shihai; Gonzalez-Cisneros, A.

    2008-01-01

    A new exact quantization rule simplifies the calculation of the energy levels for the exactly solvable quantum system. In this work we calculate the energy levels of the Schroedinger equation with the hyperbolic potential by this quantization rule. The corresponding eigenfunction is also derived for completeness. The second Poeschl-Teller like potential case is also carried out

  18. Importance of self-consistency in relativistic continuum random-phase approximation calculations

    International Nuclear Information System (INIS)

    Yang Ding; Cao Ligang; Tian Yuan; Ma Zhongyu

    2010-01-01

    A fully consistent relativistic continuum random phase approximation (RCRPA) is constructed, where the contribution of the continuum spectrum to nuclear excitations is treated exactly by the single-particle Green's function technique. The full consistency of the calculations is achieved that the same effective Lagrangian is adopted for the ground state and the excited states. The negative energy states in the Dirac sea are also included in the single-particle Green's function in the no-sea approximation. The currents from the vector meson and photon exchanges and the Coulomb interaction in RCRPA are treated exactly. The spin-orbit interaction is included naturally in the relativistic frame. Numerical results of the RCRPA are checked with the constrained relativistic mean-field theory. We study the effects of the inconsistency, particularly the currents and Coulomb interaction in various collective multipole excitations.

  19. Communication: An exact bound on the bridge function in integral equation theories.

    Science.gov (United States)

    Kast, Stefan M; Tomazic, Daniel

    2012-11-07

    We show that the formal solution of the general closure relation occurring in Ornstein-Zernike-type integral equation theories in terms of the Lambert W function leads to an exact relation between the bridge function and correlation functions, most notably to an inequality that bounds possible bridge values. The analytical results are illustrated on the example of the Lennard-Jones fluid for which the exact bridge function is known from computer simulations under various conditions. The inequality has consequences for the development of bridge function models and rationalizes numerical convergence issues.

  20. Comparison of optimization methods for electronic-structure calculations

    International Nuclear Information System (INIS)

    Garner, J.; Das, S.G.; Min, B.I.; Woodward, C.; Benedek, R.

    1989-01-01

    The performance of several local-optimization methods for calculating electronic structure is compared. The fictitious first-order equation of motion proposed by Williams and Soler is integrated numerically by three procedures: simple finite-difference integration, approximate analytical integration (the Williams-Soler algorithm), and the Born perturbation series. These techniques are applied to a model problem for which exact solutions are known, the Mathieu equation. The Williams-Soler algorithm and the second Born approximation converge equally rapidly, but the former involves considerably less computational effort and gives a more accurate converged solution. Application of the method of conjugate gradients to the Mathieu equation is discussed

  1. Exact Dispersion Study of an Asymmetric Thin Planar Slab Dielectric Waveguide without Computing {d^2}β/{d{k^2}} Numerically

    Science.gov (United States)

    Raghuwanshi, Sanjeev Kumar; Palodiya, Vikram

    2017-08-01

    Waveguide dispersion can be tailored but not the material dispersion. Hence, the total dispersion can be shifted at any desired band by adjusting the waveguide dispersion. Waveguide dispersion is proportional to {d^2}β/d{k^2} and need to be computed numerically. In this paper, we have tried to compute analytical expression for {d^2}β/d{k^2} in terms of {d^2}β/d{k^2} accurately with numerical technique, ≈ 10^{-5} decimal point. This constraint sometimes generates the error in calculation of waveguide dispersion. To formulate the problem we will use the graphical method. Our study reveals that we can compute the waveguide dispersion enough accurately for various modes by knowing - β only.

  2. Introduction to precise numerical methods

    CERN Document Server

    Aberth, Oliver

    2007-01-01

    Precise numerical analysis may be defined as the study of computer methods for solving mathematical problems either exactly or to prescribed accuracy. This book explains how precise numerical analysis is constructed. The book also provides exercises which illustrate points from the text and references for the methods presented. All disc-based content for this title is now available on the Web. · Clearer, simpler descriptions and explanations ofthe various numerical methods· Two new types of numerical problems; accurately solving partial differential equations with the included software and computing line integrals in the complex plane.

  3. Exact norm-conserving stochastic time-dependent Hartree-Fock

    International Nuclear Information System (INIS)

    Tessieri, Luca; Wilkie, Joshua; Cetinbas, Murat

    2005-01-01

    We derive an exact single-body decomposition of the time-dependent Schroedinger equation for N pairwise interacting fermions. Each fermion obeys a stochastic time-dependent norm-preserving wave equation. As a first test of the method, we calculate the low energy spectrum of helium. An extension of the method to bosons is outlined

  4. Exact deconstruction of the 6D (2,0) theory

    Energy Technology Data Exchange (ETDEWEB)

    Hayling, J.; Papageorgakis, C. [Queen Mary Univ. of London (United Kingdom). CRST and School of Physics and Astronomy; Pomoni, E. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Rodriguez-Gomez, D. [Oviedo Univ. (Spain). Dept. of Physics

    2017-06-15

    The dimensional-deconstruction prescription of Arkani-Hamed, Cohen, Kaplan, Karch and Motl provides a mechanism for recovering the A-type (2,0) theories on T{sup 2}, starting from a four-dimensional N=2 circular-quiver theory. We put this conjecture to the test using two exact-counting arguments: In the decompactification limit, we compare the Higgs-branch Hilbert series of the 4D N=2 quiver to the ''half-BPS'' limit of the (2,0) superconformal index. We also compare the full partition function for the 4D quiver on S{sup 4} to the (2,0) partition function on S{sup 4} x T{sup 2}. In both cases we find exact agreement. The partition function calculation sets up a dictionary between exact results in 4D and 6D.

  5. Parallel computer calculation of quantum spin lattices

    International Nuclear Information System (INIS)

    Lamarcq, J.

    1998-01-01

    Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane's conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation

  6. Numerical benchmarking of SPEEDUP trademark against point kinetics solutions

    International Nuclear Information System (INIS)

    Gregory, M.V.

    1993-02-01

    SPEEDUP trademark is a state-of-the-art, dynamic, chemical process modeling package offered by Aspen Technology. In anticipation of new customers' needs for new analytical tools to support the site's waste management activities, SRTC has secured a multiple-user license to SPEEDUP trademark. In order to verify both the installation and mathematical correctness of the algorithms in SPEEDUP trademark, we have performed several numerical benchmarking calculations. These calculations are the first steps in establishing an on-site quality assurance pedigree for SPEEDUP trademark. The benchmark calculations consisted of SPEEDUP trademark Version 5.3L representations of five neutron kinetics benchmarks (each a mathematically stiff system of seven coupled ordinary differential equations), whose exact solutions are documented in the open literature. In all cases, SPEEDUP trademark solutions to be in excellent agreement with the reference solutions. A minor peculiarity in dealing with a non-existent discontinuity in the OPERATION section of the model made itself evident

  7. Some exact solutions to the Lighthill–Whitham–Richards–Payne traffic flow equations

    International Nuclear Information System (INIS)

    Rowlands, G; Infeld, E; Skorupski, A A

    2013-01-01

    We find a class of exact solutions to the Lighthill–Whitham–Richards–Payne (LWRP) traffic flow equations. Using two consecutive Lagrangian transformations, a linearization is achieved. Next, depending on the initial density, we either apply (again two) Lambert functions and obtain exact formulae for the dependence of the car density and velocity on x, t, or else, failing that, the same result in a parametric representation. The calculation always involves two possible factorizations of a consistency condition. Both must be considered. In physical terms, the lineup usually separates into two offshoots at different velocities. Each velocity soon becomes uniform. This outcome in many ways resembles the two soliton solution to the Korteweg–de Vries equation. We check general conservation requirements. Although traffic flow research has developed tremendously since LWRP, this calculation, being exact, may open the door to solving similar problems, such as gas dynamics or water flow in rivers. With this possibility in mind, we outline the procedure in some detail at the end. (paper)

  8. Development and validation of calculation schemes dedicated to the interpretation of small reactivity effects for nuclear data improvement

    International Nuclear Information System (INIS)

    Gruel, A.

    2011-01-01

    Reactivity measurements by the oscillation technique, as those performed in the Minerve reactor, enable to access various neutronic parameters on materials, fuels or specific isotopes. Usually, expected reactivity effects are small, about ten pcm at maximum. Then, the modeling of these experiments should be very precise, to obtain reliable feedback on the pointed parameters. Especially, calculation biases should be precisely identified, quantified and reduced to get precise information on nuclear data. The goal of this thesis is to develop a reference calculation scheme, with well quantified uncertainties, for in-pile oscillation experiments. In this work are presented several small reactivity calculation methods, based on deterministic and/or stochastic calculation codes. Those method are compared thanks to a numerical benchmark, against a reference calculation. Three applications of these methods are presented here: a purely deterministic calculation with exact perturbation theory formalism is used for the experimental validation of fission product cross sections, in the frame of reactivity loss studies for irradiated fuel; an hybrid method, based on a stochastic calculation and the exact perturbation theory is used for the readjustment of nuclear data, here 241 Am; and a third method, based on a perturbative Monte Carlo calculation, is used in a conception study. (author) [fr

  9. Path integral density matrix dynamics: a method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems.

    Science.gov (United States)

    Habershon, Scott

    2013-09-14

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

  10. Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems

    International Nuclear Information System (INIS)

    Habershon, Scott

    2013-01-01

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency

  11. Computer program determines exact two-sided tolerance limits for normal distributions

    Science.gov (United States)

    Friedman, H. A.; Webb, S. R.

    1968-01-01

    Computer program determines by numerical integration the exact statistical two-sided tolerance limits, when the proportion between the limits is at least a specified number. The program is limited to situations in which the underlying probability distribution for the population sampled is the normal distribution with unknown mean and variance.

  12. Numerical calculation of the Fresnel transform.

    Science.gov (United States)

    Kelly, Damien P

    2014-04-01

    In this paper, we address the problem of calculating Fresnel diffraction integrals using a finite number of uniformly spaced samples. General and simple sampling rules of thumb are derived that allow the user to calculate the distribution for any propagation distance. It is shown how these rules can be extended to fast-Fourier-transform-based algorithms to increase calculation efficiency. A comparison with other theoretical approaches is made.

  13. Exact time-dependent exchange-correlation potentials for strong-field electron dynamics

    International Nuclear Information System (INIS)

    Lein, Manfred; Kuemmel, Stephan

    2005-01-01

    By solving the time-dependent Schroedinger equation and inverting the time-dependent Kohn-Sham scheme we obtain the exact time-dependent exchange-correlation potential of density-functional theory for the strong-field dynamics of a correlated system. We demonstrate that essential features of the exact exchange-correlation potential can be related to derivative discontinuities in stationary density-functional theory. Incorporating the discontinuity in a time-dependent density-functional calculation greatly improves the description of the ionization process

  14. Numerical calculation of spin echo amplitude in pulsed NMR: effects of quadrupole interaction

    International Nuclear Information System (INIS)

    Sobral, R.R.

    1986-01-01

    The spin echo obtained by nuclear magnetic resonance, in systems which atomic nuclei interact with magnetic fields and electric field gradients, present oscillations in function of the time interval between two excitations pulses. Using the density matrix formalism, the amplitudes of these echo is calculated, analytically. In this work, echo amplitudes obtained under different excitation conditions for nuclei of different nuclear spin values are calculated. The numerical results are compared with disposable analytical solutions. Applications of this method to the case of electric field gradient without axial symmetry were studied. Within the used approximation limits, an expression for attnuation of oscillatory behaviour of echo amplitude in function of the time interval between experimentally observed pulses was obtained. (M.C.K.) [pt

  15. Theory and numerical calculation of the acoustic field exerted by eddy-current forces

    Energy Technology Data Exchange (ETDEWEB)

    Kawashima, K.

    1976-01-01

    The equations for calculating the acoustic field produced within a nonmagnetic metal by interaction of eddy currents with a static magnetic field were obtained on the assumptions (1) an ultrasonic wave is generated by the electromagentic force through classical and macroscopic phenomena; (2) the electric, magnetic, and elastic properties of the metal are linear, isotropic, and homogeneous throughout the metal, which occupies semi-infinite space; (3) the whole system is axially symmetric; and (4) eddy currents and elastic waves show a steady-state sinusoidal variation. The acoustic field produced by a specific electromagnetic ultrasonic transducer with axial symmetry was calculated numerically, and the results showed a well-defined ultrasonic wave beam, which was narrower than had been expected from the size of the transducer. (auth)

  16. Exact angular momentum projection based on cranked HFB solution

    Energy Technology Data Exchange (ETDEWEB)

    Enami, Kenichi; Tanabe, Kosai; Yosinaga, Naotaka [Saitama Univ., Urawa (Japan). Dept. of Physics

    1998-03-01

    Exact angular momentum projection of cranked HFB solutions is carried out. It is reconfirmed from this calculation that cranked HFB solutions reproduce the intrinsic structure of deformed nucleus. The result also indicates that the energy correction from projection is important for further investigation of nuclear structure. (author)

  17. T.I.G. Welding of stainless steel. Numerical modelling for temperatures calculation in the Haz

    International Nuclear Information System (INIS)

    Martinez-Conesa, E. J.; Estrems-Amestoy, M.; Miguel-Eguia, V.; Garrido-Hernandez, A.; Guillen-Martinez, J. A.

    2010-01-01

    In this work, a numerical method for calculating the temperature field into the heat affected zone for butt welded joints is presented. The method has been developed for sheet welding and takes into account a bidimensional heat flow. It has built a computer program by MS-Excel books and Visual Basic for Applications (VBA). The model has been applied to the TIG process of AISI 304 stainless steel 2mm thickness sheet. The welding process has been considered without input materials. The numerical method may be used to help the designers to predict the temperature distribution in welded joints. (Author) 12 refs.

  18. Exact critical properties of two-dimensional polymer networks from conformal invariance

    International Nuclear Information System (INIS)

    Duplantier, B.

    1988-03-01

    An infinity of exact critical exponents for two-dimensional self-avoiding walks can be derived from conformal invariance and Coulomb gas techniques applied to the O(n) model and to the Potts model. They apply to polymer networks of any topology, for which a general scaling theory is given, valid in any dimension d. The infinite set of exponents has also been calculated to O(ε 2 ), for d=4-ε. The 2D study also includes other universality classes like the dense polymers, the Hamiltonian walks, the polymers at their θ-point. Exact correlation functions can be further given for Hamiltonian walks, and exact winding angle probability distributions for the self-avoiding walks

  19. Quantum theory of atom-surface scattering: exact solutions and evaluation of approximations

    International Nuclear Information System (INIS)

    Chiroli, C.; Levi, A.C.

    1976-01-01

    In a recent article a hard corrugated surface was proposed as a simple model for atom-surface scattering. The problem was not solved exactly, however, but several alternative approximations were considered. Since these three similar, but inequivalent, approximations were proposed, the problem arose to evaluate these approximations in order to choose between them. In the present letter some exact calculations are presented which make this choice rationally possible. (Auth.)

  20. An exactly conservative particle method for one dimensional scalar conservation laws

    International Nuclear Information System (INIS)

    Farjoun, Yossi; Seibold, Benjamin

    2009-01-01

    A particle scheme for scalar conservation laws in one space dimension is presented. Particles representing the solution are moved according to their characteristic velocities. Particle interaction is resolved locally, satisfying exact conservation of area. Shocks stay sharp and propagate at correct speeds, while rarefaction waves are created where appropriate. The method is variation diminishing, entropy decreasing, exactly conservative, and has no numerical dissipation away from shocks. Solutions, including the location of shocks, are approximated with second order accuracy. Source terms can be included. The method is compared to CLAWPACK in various examples, and found to yield a comparable or better accuracy for similar resolutions.

  1. Numerical Study of Focusing Effects of Microwaves inside Wood Due to Timber Ring Structure

    Directory of Open Access Journals (Sweden)

    Rocio Sanchez-Montero

    2018-02-01

    Full Text Available The aim of this study is the detailed calculation of microwave propagation inside raw timber in cylindrical configurations. Two different approaches have been used. The first one uses an exact formulation and analytical approximations in order to explore the electromagnetic field distribution inside dry wood. The introduction of conductivity in the exact model makes it so complex that the equations are unsuitable for analytical manipulation. In order to further explore the effect of moisture in cylindrical wood structures, a full scale numerical simulation using commercial software has been performed. The results show that for microwave frequencies in the 3 GHz range and for typical wood parameters, a cylindrical log behaves as a kind of Fresnel lens. This work has important applications in microwave treatment and sensing of wood.

  2. Heterogeneous Calculation of {epsilon}

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Alf

    1961-02-15

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of {epsilon}. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer.

  3. Heterogeneous Calculation of ε

    International Nuclear Information System (INIS)

    Jonsson, Alf

    1961-02-01

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of ε. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer

  4. Exact results on the one-dimensional Potts lattice gas

    International Nuclear Information System (INIS)

    Riera, R.; Chaves, C.M.G.F.

    1982-12-01

    An exact calculation of the Potts Lattice Gas in one dimension is presented. Close to T=O 0 K, the uniform susceptibility presents an essencial singularity, when the excharge parameter is positive, and a power law behaviour with critical exponent γ=1, when this parameter is negative. (Author) [pt

  5. Exact results on the one-dimensional Potts lattice gas

    International Nuclear Information System (INIS)

    Riera, R.; Chaves, C.M.G.F.

    1983-01-01

    An exact calculation of the Potts Lattice Gas in one dimension is presented. Close to T=O 0 K, the uniform susceptibility presents an essential singularity, when the exchange parameter is positive, and a power law behaviour with critical exponent γ=1, when this parameter is negative. (Author) [pt

  6. Exact capacity analysis of multihop transmission over amplify-and-forward relay fading channels

    KAUST Repository

    Yilmaz, Ferkan; Kucur, Oǧuz; Alouini, Mohamed-Slim

    2010-01-01

    In this paper, we propose an analytical framework on the exact computation of the average capacity of multihop transmission over amplify-and-forward relay fading channels. Our approach relies on the algebraic combination of Mellin and Laplace transforms to obtain exact single integral expressions which can be easily computed by Gauss-Chebyshev Quadrature (GCQ) rule. As such, the derived results are a convenient tool to analyze the average capacity of multihop transmission over amplify-and-forward relay fading channels. As an application of the analytical framework on the exact computation of the average capacity of multihop transmission, some examples are accentuated for generalized Nakagami-m fading channels. Numerical and simulation results, performed to verify the correctness of the proposed formulation, are in perfect agreement. ©2010 IEEE.

  7. Exact capacity analysis of multihop transmission over amplify-and-forward relay fading channels

    KAUST Repository

    Yilmaz, Ferkan

    2010-09-01

    In this paper, we propose an analytical framework on the exact computation of the average capacity of multihop transmission over amplify-and-forward relay fading channels. Our approach relies on the algebraic combination of Mellin and Laplace transforms to obtain exact single integral expressions which can be easily computed by Gauss-Chebyshev Quadrature (GCQ) rule. As such, the derived results are a convenient tool to analyze the average capacity of multihop transmission over amplify-and-forward relay fading channels. As an application of the analytical framework on the exact computation of the average capacity of multihop transmission, some examples are accentuated for generalized Nakagami-m fading channels. Numerical and simulation results, performed to verify the correctness of the proposed formulation, are in perfect agreement. ©2010 IEEE.

  8. Exact reliability quantification of highly reliable systems with maintenance

    Energy Technology Data Exchange (ETDEWEB)

    Bris, Radim, E-mail: radim.bris@vsb.c [VSB-Technical University Ostrava, Faculty of Electrical Engineering and Computer Science, Department of Applied Mathematics, 17. listopadu 15, 70833 Ostrava-Poruba (Czech Republic)

    2010-12-15

    When a system is composed of highly reliable elements, exact reliability quantification may be problematic, because computer accuracy is limited. Inaccuracy can be due to different aspects. For example, an error may be made when subtracting two numbers that are very close to each other, or at the process of summation of many very different numbers, etc. The basic objective of this paper is to find a procedure, which eliminates errors made by PC when calculations close to an error limit are executed. Highly reliable system is represented by the use of directed acyclic graph which is composed from terminal nodes, i.e. highly reliable input elements, internal nodes representing subsystems and edges that bind all of these nodes. Three admissible unavailability models of terminal nodes are introduced, including both corrective and preventive maintenance. The algorithm for exact unavailability calculation of terminal nodes is based on merits of a high-performance language for technical computing MATLAB. System unavailability quantification procedure applied to a graph structure, which considers both independent and dependent (i.e. repeatedly occurring) terminal nodes is based on combinatorial principle. This principle requires summation of a lot of very different non-negative numbers, which may be a source of an inaccuracy. That is why another algorithm for exact summation of such numbers is designed in the paper. The summation procedure uses benefits from a special number system with the base represented by the value 2{sup 32}. Computational efficiency of the new computing methodology is compared with advanced simulation software. Various calculations on systems from references are performed to emphasize merits of the methodology.

  9. Eigenstates and dynamics of Hooke's atom: Exact results and path integral simulations

    Science.gov (United States)

    Gholizadehkalkhoran, Hossein; Ruokosenmäki, Ilkka; Rantala, Tapio T.

    2018-05-01

    The system of two interacting electrons in one-dimensional harmonic potential or Hooke's atom is considered, again. On one hand, it appears as a model for quantum dots in a strong confinement regime, and on the other hand, it provides us with a hard test bench for new methods with the "space splitting" arising from the one-dimensional Coulomb potential. Here, we complete the numerous previous studies of the ground state of Hooke's atom by including the excited states and dynamics, not considered earlier. With the perturbation theory, we reach essentially exact eigenstate energies and wave functions for the strong confinement regime as novel results. We also consider external perturbation induced quantum dynamics in a simple separable case. Finally, we test our novel numerical approach based on real-time path integrals (RTPIs) in reproducing the above. The RTPI turns out to be a straightforward approach with exact account of electronic correlations for solving the eigenstates and dynamics without the conventional restrictions of electronic structure methods.

  10. Calculation of sample problems related to two-phase flow blowdown transients in pressure relief piping of a PWR pressurizer

    International Nuclear Information System (INIS)

    Shin, Y.W.; Wiedermann, A.H.

    1984-02-01

    A method was published, based on the integral method of characteristics, by which the junction and boundary conditions needed in computation of a flow in a piping network can be accurately formulated. The method for the junction and boundary conditions formulation together with the two-step Lax-Wendroff scheme are used in a computer program; the program in turn, is used here in calculating sample problems related to the blowdown transient of a two-phase flow in the piping network downstream of a PWR pressurizer. Independent, nearly exact analytical solutions also are obtained for the sample problems. Comparison of the results obtained by the hybrid numerical technique with the analytical solutions showed generally good agreement. The good numerical accuracy shown by the results of our scheme suggest that the hybrid numerical technique is suitable for both benchmark and design calculations of PWR pressurizer blowdown transients

  11. Dissipative motion perturbation theory and exact solutions

    International Nuclear Information System (INIS)

    Lodder, J.J.

    1976-06-01

    Dissipative motion of classical and quantum systems is described. In particular, attention is paid to systems coupled to the radiation field. A dissipative equation of motion for a particle in an arbitrary potential coupled to the radiation field is derived by means of perturbation theory. The usual divrgencies associated with the radiation field are eliminated by the application of a theory of generalized functions. This theory is developed as a subject in its own right and is presented independently. The introduction of classical zero-point energy makes the classical equa tion of motion for the phase density formally the same as its quantum counterpart. In particular, it is shown that the classical zero-point energy prevents the collapse of a classical H-atom and gives rise to a classical ground state. For systems with a quadratic Hamiltoian, the equation of motion can be solved exactly, even in the continuum limit for the radiation field, by means of the new generalized functions. Classically, the Fokker-Planck equation is found without any approximations, and quantum mechanically, the only approximation is the neglect of the change in the ground state caused by the interaction. The derivation is valid even for strong damping and arbitrarily short times. There is no transient time. For harmonic oscillators complete equivalence is shown to exist between quantum mechanics and classical mechanics with zero-point energy. A discussion of the derivation of the Pauli equation is given and perturbation theory is compared with the exact derivation. The exactly solvable models are used to calculate the Langevin force of the radiation field. The result is that the classical Langevin force is exactly delta-correlated, while the quantum Langevin force is not delta-correlated at all. The fluctuation-dissipation theorem is shown to be an exact consequence of the solution to the equations of motion

  12. Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order

    International Nuclear Information System (INIS)

    Reiher, Markus; Wolf, Alexander

    2004-01-01

    In order to achieve exact decoupling of the Dirac Hamiltonian within a unitary transformation scheme, we have discussed in part I of this series that either a purely numerical iterative technique (the Barysz-Sadlej-Snijders method) or a stepwise analytic approach (the Douglas-Kroll-Hess method) are possible. For the evaluation of Douglas-Kroll-Hess Hamiltonians up to a pre-defined order it was shown that a symbolic scheme has to be employed. In this work, an algorithm for this analytic derivation of Douglas-Kroll-Hess Hamiltonians up to any arbitrary order in the external potential is presented. We discuss how an estimate for the necessary order for exact decoupling (within machine precision) for a given system can be determined from the convergence behavior of the Douglas-Kroll-Hess expansion prior to a quantum chemical calculation. Once this maximum order has been accomplished, the spectrum of the positive-energy part of the decoupled Hamiltonian, e.g., for electronic bound states, cannot be distinguished from the corresponding part of the spectrum of the Dirac operator. An efficient scalar-relativistic implementation of the symbolic operations for the evaluation of the positive-energy part of the block-diagonal Hamiltonian is presented, and its accuracy is tested for ground-state energies of one-electron ions over the whole periodic table. Furthermore, the first many-electron calculations employing sixth up to fourteenth order DKH Hamiltonians are presented

  13. Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order.

    Science.gov (United States)

    Reiher, Markus; Wolf, Alexander

    2004-12-08

    In order to achieve exact decoupling of the Dirac Hamiltonian within a unitary transformation scheme, we have discussed in part I of this series that either a purely numerical iterative technique (the Barysz-Sadlej-Snijders method) or a stepwise analytic approach (the Douglas-Kroll-Hess method) are possible. For the evaluation of Douglas-Kroll-Hess Hamiltonians up to a pre-defined order it was shown that a symbolic scheme has to be employed. In this work, an algorithm for this analytic derivation of Douglas-Kroll-Hess Hamiltonians up to any arbitrary order in the external potential is presented. We discuss how an estimate for the necessary order for exact decoupling (within machine precision) for a given system can be determined from the convergence behavior of the Douglas-Kroll-Hess expansion prior to a quantum chemical calculation. Once this maximum order has been accomplished, the spectrum of the positive-energy part of the decoupled Hamiltonian, e.g., for electronic bound states, cannot be distinguished from the corresponding part of the spectrum of the Dirac operator. An efficient scalar-relativistic implementation of the symbolic operations for the evaluation of the positive-energy part of the block-diagonal Hamiltonian is presented, and its accuracy is tested for ground-state energies of one-electron ions over the whole periodic table. Furthermore, the first many-electron calculations employing sixth up to fourteenth order DKH Hamiltonians are presented. (c) 2004 American Institute of Physics.

  14. Exact analytic solutions for Mikheyev-Smirnov-Wolfenstein level crossings

    International Nuclear Information System (INIS)

    Noetzold, D.

    1987-01-01

    An exact formula for the transition probability in level-crossing phenomena is derived for a general case, ranging from adiabatic to sudden crossings. This is done in the context of neutrino flavor oscillations for the Mikheyev-Smirnov-Wolfenstein (MSW) effect, where hitherto only numerical or approximate solutions were obtained. The matter density or level splitting is assumed to be governed by a hyperbolic-tangent function which, however, can change arbitrarily fast between two constant values. For example, in context of the MSW effect this furnishes a nice fit to the solar density determining the level crossing of solar neutrinos. In the quasiadiabatic limit the exact Landau-Zener factor can be read off, correcting some expressions obtained so far. Even in the opposite limit of a sudden level crossing a conversion is found, which can have far-reaching consequences for neutrino detection on Earth

  15. Recurrent formulas and some exact relations for radial integrals with Dirac and Schroedinger wave functions

    International Nuclear Information System (INIS)

    Shabaev, V.M.

    1984-01-01

    Some exact relations are derived for radial integrals with Dirac wave functions. These relations are used for calculating radial integrals in the case of the Coulomb field. The threedimensional harmonic oscillator is also considered and exact formulae for the dipole transition probabilities are obtained using general relations between matrix elements

  16. Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

    International Nuclear Information System (INIS)

    Canko, Osman; Keskin, Mustafa; Deviren, Bayram

    2008-01-01

    We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J 0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found

  17. Pressure of a partially ionized hydrogen gas : numerical results from exact low temperature expansions

    OpenAIRE

    Alastuey , Angel; Ballenegger , Vincent

    2010-01-01

    8 pages; International audience; We consider a partially ionized hydrogen gas at low densities, where it reduces almost to an ideal mixture made with hydrogen atoms in their ground-state, ionized protons and ionized electrons. By performing systematic low-temperature expansions within the physical picture, in which the system is described as a quantum electron-proton plasma interacting via the Coulomb potential, exact formulae for the first five leading corrections to the ideal Saha equation ...

  18. Exact Solution of Mutator Model with Linear Fitness and Finite Genome Length

    Science.gov (United States)

    Saakian, David B.

    2017-08-01

    We considered the infinite population version of the mutator phenomenon in evolutionary dynamics, looking at the uni-directional mutations in the mutator-specific genes and linear selection. We solved exactly the model for the finite genome length case, looking at the quasispecies version of the phenomenon. We calculated the mutator probability both in the statics and dynamics. The exact solution is important for us because the mutator probability depends on the genome length in a highly non-trivial way.

  19. Mesoscale modelling in China: Risø DTU numerical wind atlas calculation for NE China (Dongbei)

    DEFF Research Database (Denmark)

    Badger, Jake; Larsén, Xiaoli Guo; Hahmann, Andrea N.

    of the wind resource for Dongbei south of 50oN. The results of the numerical wind atlas show a wind resource over the region of interest modulated mainly by topographic features. These are principally elevated terrain features, giving high resources on exposed ridges and lower resources adjacent to the low......This document reports on the methods and findings of project “A01 Mesoscale Modelling”, part of the CMA component of the Wind Energy Development (WED) programme, focusing mainly on the methods and work undertaken by Risø DTU. The KAMM/WAsP methodology for numerical wind atlas calculation....... The major new aspects of the project were the large number of KAMM/WAsP sensitivity studies, comparison with WRF, and the CMA’s numerical wind atlas method (WERAS). Additionally, the reliability of the input data for the methodology, and the wave-number spectra properties of the output data were...

  20. Intermittency inhibited by transport: An exactly solvable model

    Science.gov (United States)

    Zanette, Damián H.

    1994-04-01

    Transport is incorporated in a discrete-time stochastic model of a system undergoing autocatalytic reactions of the type A-->2A and A-->0, whose population field is known to exhibit spatiotemporal intermittency. The temporal evolution is exactly solved, and it is shown that if the transport process is strong enough, intermittency is inhibited. This inhibition is nonuniform, in the sense that, as transport is strengthened, low-order population moments are affected before the high-order ones. Numerical simulations are presented to support the analytical results.

  1. An exact linear dispersion relation for CRM instability

    International Nuclear Information System (INIS)

    Choyal, Y; Minami, K

    2011-01-01

    An exact self-consistent linear dispersion relation of a large orbit electron beam including two principles of cyclotron emission with oscillation frequencies above and below the relativistic electron frequency is derived and analyzed numerically for the first time in the literature. The two principles are cyclotron resonance maser (CRM) instability and Cherenkov instability in the azimuthal direction. Self-consistency in the formulation and inclusion of proper boundary conditions have removed the unphysical instability existing for infinitely large k z observed in conventional dispersion relations of CRM instability.

  2. Exact solutions and symmetry analysis for the limiting probability distribution of quantum walks

    International Nuclear Information System (INIS)

    Xu, Xin-Ping; Ide, Yusuke

    2016-01-01

    In the literature, there are numerous studies of one-dimensional discrete-time quantum walks (DTQWs) using a moving shift operator. However, there is no exact solution for the limiting probability distributions of DTQWs on cycles using a general coin or swapping shift operator. In this paper, we derive exact solutions for the limiting probability distribution of quantum walks using a general coin and swapping shift operator on cycles for the first time. Based on the exact solutions, we show how to generate symmetric quantum walks and determine the condition under which a symmetric quantum walk appears. Our results suggest that choosing various coin and initial state parameters can achieve a symmetric quantum walk. By defining a quantity to measure the variation of symmetry, deviation and mixing time of symmetric quantum walks are also investigated.

  3. Exact solutions and symmetry analysis for the limiting probability distribution of quantum walks

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Xin-Ping, E-mail: xuxp@mail.ihep.ac.cn [School of Physical Science and Technology, Soochow University, Suzhou 215006 (China); Ide, Yusuke [Department of Information Systems Creation, Faculty of Engineering, Kanagawa University, Yokohama, Kanagawa, 221-8686 (Japan)

    2016-10-15

    In the literature, there are numerous studies of one-dimensional discrete-time quantum walks (DTQWs) using a moving shift operator. However, there is no exact solution for the limiting probability distributions of DTQWs on cycles using a general coin or swapping shift operator. In this paper, we derive exact solutions for the limiting probability distribution of quantum walks using a general coin and swapping shift operator on cycles for the first time. Based on the exact solutions, we show how to generate symmetric quantum walks and determine the condition under which a symmetric quantum walk appears. Our results suggest that choosing various coin and initial state parameters can achieve a symmetric quantum walk. By defining a quantity to measure the variation of symmetry, deviation and mixing time of symmetric quantum walks are also investigated.

  4. A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

    Science.gov (United States)

    Johnson, M. T.

    2010-02-01

    The transfer velocity determines the rate of exchange of a gas across the air-water interface for a given deviation from Henry's law equilibrium between the two phases. In the thin film model of gas exchange, which is commonly used for calculating gas exchange rates from measured concentrations of trace gases in the atmosphere and ocean/freshwaters, the overall transfer is controlled by diffusion-mediated films on either side of the air-water interface. Calculating the total transfer velocity (i.e. including the influence from both molecular layers) requires the Henry's law constant and the Schmidt number of the gas in question, the latter being the ratio of the viscosity of the medium and the molecular diffusivity of the gas in the medium. All of these properties are both temperature and (on the water side) salinity dependent and extensive calculation is required to estimate these properties where not otherwise available. The aim of this work is to standardize the application of the thin film approach to flux calculation from measured and modelled data, to improve comparability, and to provide a numerical framework into which future parameter improvements can be integrated. A detailed numerical scheme is presented for the calculation of the gas and liquid phase transfer velocities (ka and kw respectively) and the total transfer velocity, K. The scheme requires only basic physical chemistry data for any gas of interest and calculates K over the full range of temperatures, salinities and wind-speeds observed in and over the ocean. Improved relationships for the wind-speed dependence of ka and for the salinity-dependence of the gas solubility (Henry's law) are derived. Comparison with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general but significant improvements under certain conditions. The scheme is provided as a downloadable program in the supplementary material, along with input files containing molecular

  5. Numerical calculation on infrared characteristics of the special vehicle exhaust system

    Science.gov (United States)

    Feng, Yun-song; Li, Xiao-xia; Jin, Wei

    2017-10-01

    For mastery of infrared radiation characteristics and flow field of the special vehicle exhaust system, first, a physical model of the special vehicle exhaust system is established with the Gambit, and the mathematical model of flow field is determined. Secondly, software Fluent6.3 is used to simulated the 3-D exterior flow field of the special vehicle exhaust system, and the datum of flow field, such as temperature, pressure and density, are obtained. Thirdly, based on the plume temperature, the special vehicle exhaust space is divided. The exhaust is equivalent to a gray-body. A calculating model of the vehicle exhaust infrared radiation is established, and the exhaust infrared radiation characteristics are calculated by the software MATLAB, then the spatial distribution curves are drawn. Finally, the numerical results are analyzing, and the basic laws of the special vehicle exhaust infrared radiation are explored. The results show that with the increase of the engine speed, the temperature of the exhaust pipe wall of the special vehicle increases, and the temperature and pressure of the exhaust gas flow field increase, which leads to the enhancement of the infrared radiation intensity

  6. Calculation of the Intensity of electrical field at the end of the loaded path in the solid-state nuclear track detectors by using the numerical calculation of Laplace equations

    International Nuclear Information System (INIS)

    Kolahdooz, M.; Abotalebi, A.; Sheikh Aleslam, F.

    2011-01-01

    The goal of this article is calculation of the electric field at the end of loaded path in solid-state track detectors. For the calculation, Laplace-Equation has been solved numerically. By solving the equation, upon considering a specific potential at the boundary of the region, in addition to calculating the electric field at the end of path, the parameters which are affecting the electric field have also been investigated.

  7. Minaret, a deterministic neutron transport solver for nuclear core calculations

    Energy Technology Data Exchange (ETDEWEB)

    Moller, J-Y.; Lautard, J-J., E-mail: jean-yves.moller@cea.fr, E-mail: jean-jacques.lautard@cea.fr [CEA - Centre de Saclay , Gif sur Yvette (France)

    2011-07-01

    We present here MINARET a deterministic transport solver for nuclear core calculations to solve the steady state Boltzmann equation. The code follows the multi-group formalism to discretize the energy variable. It uses discrete ordinate method to deal with the angular variable and a DGFEM to solve spatially the Boltzmann equation. The mesh is unstructured in 2D and semi-unstructured in 3D (cylindrical). Curved triangles can be used to fit the exact geometry. For the curved elements, two different sets of basis functions can be used. Transport solver is accelerated with a DSA method. Diffusion and SPN calculations are made possible by skipping the transport sweep in the source iteration. The transport calculations are parallelized with respect to the angular directions. Numerical results are presented for simple geometries and for the C5G7 Benchmark, JHR reactor and the ESFR (in 2D and 3D). Straight and curved finite element results are compared. (author)

  8. Minaret, a deterministic neutron transport solver for nuclear core calculations

    International Nuclear Information System (INIS)

    Moller, J-Y.; Lautard, J-J.

    2011-01-01

    We present here MINARET a deterministic transport solver for nuclear core calculations to solve the steady state Boltzmann equation. The code follows the multi-group formalism to discretize the energy variable. It uses discrete ordinate method to deal with the angular variable and a DGFEM to solve spatially the Boltzmann equation. The mesh is unstructured in 2D and semi-unstructured in 3D (cylindrical). Curved triangles can be used to fit the exact geometry. For the curved elements, two different sets of basis functions can be used. Transport solver is accelerated with a DSA method. Diffusion and SPN calculations are made possible by skipping the transport sweep in the source iteration. The transport calculations are parallelized with respect to the angular directions. Numerical results are presented for simple geometries and for the C5G7 Benchmark, JHR reactor and the ESFR (in 2D and 3D). Straight and curved finite element results are compared. (author)

  9. Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

    Energy Technology Data Exchange (ETDEWEB)

    Canko, Osman; Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr

    2008-05-15

    We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J<0, respectively, on the diatomic lattice and have found the conditions for the existence of uniform and intermediate or non-uniform phases. We have also constructed the exact ground-state phase diagrams of the model on the triangular lattice and found 20 and 59 fundamental phase diagrams for J>0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found.

  10. Fully developed laminar flow of non-Newtonian liquids through annuli: comparison of numerical calculations with experiments

    Energy Technology Data Exchange (ETDEWEB)

    Escudier, M.P.; Smith, S. [Department of Engineering, Mechanical Engineering, University of Liverpool, Brownlow Hill, Liverpool L69 3GH (United Kingdom); Oliveira, P.J. [Departamento de Engenharia Electromecanica, Universidade da Beira Interior, Rua Marques D' Avila e Boloma, 6200 Covilha (Portugal); Pinho, F.T. [Centro de Estudos de Fenomenos de Transporte, DEMEGI, Faculdade de Engenharia, Universidade do Porto, Rua Roberto Frias, 4200-465 Porto (Portugal)

    2002-07-01

    Experimental data are reported for fully developed laminar flow of a shear-thinning liquid through both a concentric and an 80% eccentric annulus with and without centrebody rotation. The working fluid was an aqueous solution of 0.1% xanthan gum and 0.1% carboxymethylcellulose for which the flow curve is well represented by the Cross model. Comparisons are reported between numerical calculations and the flow data, as well as with other laminar annular-flow data for a variety of shear-thinning liquids previously reported in the literature. In general, the calculations are in good quantitative agreement with the experimental data, even in situations where viscoelastic effects, neglected in the calculations, would be expected to play a role. (orig.)

  11. Relativistic plasma dielectric tensor evaluation based on the exact plasma dispersion functions concept

    International Nuclear Information System (INIS)

    Castejon, F.; Pavlov, S. S.

    2006-01-01

    The fully relativistic plasma dielectric tensor for any wave and plasma parameter is estimated on the basis of the exact plasma dispersion functions concept. The inclusion of this concept allows one to write the tensor in a closed and compact form and to reduce the tensor evaluation to the calculation of those functions. The main analytical properties of these functions are studied and two methods are given for their evaluation. The comparison between the exact dielectric tensor with the weakly relativistic approximation, widely used presently in plasma waves calculations, is given as well as the range of plasma temperature, harmonic number, and propagation angle in which the weakly relativistic approximation is valid

  12. Comparison of turbulence models for numerical calculation of airflow in an annex 20 room

    DEFF Research Database (Denmark)

    Voigt, Lars P. K.

    2000-01-01

    The report deals with 2-D numerical calculation of room airflow in an isothermal annex 20 room. The report documents the ability of the flow solver EllipSys2D to give results in good agreement with measurements for the specified test case. The flow solver is a finite volume code solving the Reyno.......Applying theory for a two-dimensional wall jet, measurements are compared with calculated values of the turbulent kinetic energy....... the Reynolds Averaged Navier Stokes equations.Five two-equation turbulence models were tested. These are the standard k-epsilon model, the low-Reynolds number k-epison model by Launder & Sharma, the k-omega model by Wilcox, the k-omega baseline (BSL) model by Menter and the k-omega Shear Stress Transport (SST...

  13. Quasi-exact evaluation of time domain MFIE MOT matrix elements

    KAUST Repository

    Shi, Yifei; Bagci, Hakan; Shanker, Balasubramaniam; Lu, Mingyu; Michielssen, Eric

    2013-01-01

    A previously proposed quasi-exact scheme for evaluating matrix elements resulting from the marching-on-in-time (MOT) discretization of the time domain electric field integral equation (EFIE) is extended to matrix entries resulting from the discretization of its magnetic field integral equation (MFIE) counterpart. Numerical results demonstrate the accuracy of the scheme as well as the late-time stability of the resulting MOT-MFIE solver. © 2013 IEEE.

  14. Quasi-exact evaluation of time domain MFIE MOT matrix elements

    KAUST Repository

    Shi, Yifei

    2013-07-01

    A previously proposed quasi-exact scheme for evaluating matrix elements resulting from the marching-on-in-time (MOT) discretization of the time domain electric field integral equation (EFIE) is extended to matrix entries resulting from the discretization of its magnetic field integral equation (MFIE) counterpart. Numerical results demonstrate the accuracy of the scheme as well as the late-time stability of the resulting MOT-MFIE solver. © 2013 IEEE.

  15. Calculation of residual stresses by means of a 3D numerical weld simulation

    International Nuclear Information System (INIS)

    Nicak, Tomas; Huemmer, Matthias

    2008-01-01

    The numerical weld simulation has developed very fast in recent years. The problem complexity has increased from simple 2D models to full 3D models, which can describe the entire welding process more realistically. As recent research projects indicate, a quantitative assessment of the residual stresses by means of a 3D analysis is possible. The structure integrity can be assessed based on the weld simulation results superimposed with the operating load. Moreover, to support the qualification of welded components parametric studies for optimization of the residual stress distribution in the weld region can be performed. In this paper a full 3D numerical weld simulation for a man-hole drainage nozzle in a steam generator will be presented. The residual stresses are calculated by means of an uncoupled transient thermal and mechanical FE analysis. The paper will present a robust procedure allowing reasonable predictions of the residual stresses for complex structures in industrial practice. (authors)

  16. Exact renormalization group equation for the Lifshitz critical point

    Science.gov (United States)

    Bervillier, C.

    2004-10-01

    An exact renormalization equation (ERGE) accounting for an anisotropic scaling is derived. The critical and tricritical Lifshitz points are then studied at leading order of the derivative expansion which is shown to involve two differential equations. The resulting estimates of the Lifshitz critical exponents compare well with the O(ε) calculations. In the case of the Lifshitz tricritical point, it is shown that a marginally relevant coupling defies the perturbative approach since it actually makes the fixed point referred to in the previous perturbative calculations O(ε) finally unstable.

  17. Numerical solution of boundary-integral equations for molecular electrostatics.

    Science.gov (United States)

    Bardhan, Jaydeep P

    2009-03-07

    Numerous molecular processes, such as ion permeation through channel proteins, are governed by relatively small changes in energetics. As a result, theoretical investigations of these processes require accurate numerical methods. In the present paper, we evaluate the accuracy of two approaches to simulating boundary-integral equations for continuum models of the electrostatics of solvation. The analysis emphasizes boundary-element method simulations of the integral-equation formulation known as the apparent-surface-charge (ASC) method or polarizable-continuum model (PCM). In many numerical implementations of the ASC/PCM model, one forces the integral equation to be satisfied exactly at a set of discrete points on the boundary. We demonstrate in this paper that this approach to discretization, known as point collocation, is significantly less accurate than an alternative approach known as qualocation. Furthermore, the qualocation method offers this improvement in accuracy without increasing simulation time. Numerical examples demonstrate that electrostatic part of the solvation free energy, when calculated using the collocation and qualocation methods, can differ significantly; for a polypeptide, the answers can differ by as much as 10 kcal/mol (approximately 4% of the total electrostatic contribution to solvation). The applicability of the qualocation discretization to other integral-equation formulations is also discussed, and two equivalences between integral-equation methods are derived.

  18. Strong pairing approximation in comparison with the exact solutions to the pairing Hamiltonian

    Directory of Open Access Journals (Sweden)

    Lunyov A.V.

    2016-01-01

    Full Text Available Results of the Strong Pairing Approximation (SPA as a method with the exact particle number conservation are compared with those of the quasiparticle method (QM. It is shown that SPA comes to the same equations as QM for the gap parameter, chemical potential and one- and two-quasiparticle states. Calculations are performed for 14864Gd84 as an example, and compared with the exact solutions to the pairing Hamiltonian.

  19. Multiplicity fluctuations in a hadron gas with exact conservation laws

    International Nuclear Information System (INIS)

    Becattini, Francesco; Keraenen, Antti; Ferroni, Lorenzo; Gabbriellini, Tommaso

    2005-01-01

    The study of fluctuations of particle multiplicities in relativistic heavy-ion reactions has drawn much attention in recent years, because they have been proposed as a probe for underlying dynamics and possible formation of quark-gluon plasma. Thus it is of uttermost importance to describe the baseline of statistical fluctuations in the hadron gas phase in a correct way. We performed a comprehensive study of multiplicity distributions in the full ideal hadron-resonance gas in different ensembles, namely grand canonical, canonical, and microcanonical, by using two different methods: Asymptotic expansions and full Monte Carlo simulations. The method based on asymptotic expansion allows a quick numerical calculation of dispersions in the hadron gas with three conserved charges at the primary hadron level, while the Monte Carlo simulation is suitable for studying the effect of resonance decays. Even though mean multiplicities converge to the same values, major differences in fluctuations for these ensembles persist in the thermodynamic limit, as pointed out in recent studies. We observe that this difference is ultimately related to the nonadditivity of the variances in the ensembles with exact conservation of extensive quantities

  20. A contribution to the numerical calculation of static electromagnetic fields in unbounded domains

    International Nuclear Information System (INIS)

    Krawczyk, F.

    1990-11-01

    The numerical calculation of static electromagnetic fields for arbitrarily shaped three-dimensional structures, especially in unbounded domains, is very memory and cpu-time consuming. In this thesis several schemes that reduce memory and cpu-time consumption have been developed or introduced. The memory needed can be reduced by a special simulation of boundaries towards open space and by the use of a scalar potential for the field description. Known disadvantages of the use of such a potential are avoided by an improved formulation of the used algorithms. The cpu-time for the calculations can be reduced remarkably in many cases by using a multigrid solution scheme including a defect-correction. A computer code has been written that uses these algorithms. With the help of this program it has been demonstrated that using these algorithms, distinct improvements in terms of computer memory, cpu-time consumption and accuracy can be achieved. (orig.) [de

  1. Exact solutions of Fisher and Burgers equations with finite transport memory

    International Nuclear Information System (INIS)

    Kar, Sandip; Banik, Suman Kumar; Ray, Deb Shankar

    2003-01-01

    The Fisher and Burgers equations with finite memory transport, describing reaction-diffusion and convection-diffusion processes, respectively have recently attracted a lot of attention in the context of chemical kinetics, mathematical biology and turbulence. We show here that they admit exact solutions. While the speed of the travelling wavefront is dependent on the relaxation time in the Fisher equation, memory effects significantly smoothen out the shock wave nature of the Burgers solution, without any influence on the corresponding wave speed. We numerically analyse the ansatz for the exact solution and show that for the reaction-diffusion system the strength of the reaction term must be moderate enough not to exceed a critical limit to allow a travelling wave solution to exist for appreciable finite memory effect

  2. Exact solutions of Fisher and Burgers equations with finite transport memory

    CERN Document Server

    Kar, S; Ray, D S

    2003-01-01

    The Fisher and Burgers equations with finite memory transport, describing reaction-diffusion and convection-diffusion processes, respectively have recently attracted a lot of attention in the context of chemical kinetics, mathematical biology and turbulence. We show here that they admit exact solutions. While the speed of the travelling wavefront is dependent on the relaxation time in the Fisher equation, memory effects significantly smoothen out the shock wave nature of the Burgers solution, without any influence on the corresponding wave speed. We numerically analyse the ansatz for the exact solution and show that for the reaction-diffusion system the strength of the reaction term must be moderate enough not to exceed a critical limit to allow a travelling wave solution to exist for appreciable finite memory effect.

  3. Numerical method and calculation of two-phase swirling flows with rigid particles for technical applications

    Directory of Open Access Journals (Sweden)

    Akhmetov Vadim

    2017-01-01

    Full Text Available Swirling flow with particle deposition effects at the lateral surface is numerically investigated. The flow field calculation results have been obtained as the solutions of the Navier-Stokes equations. Various flow regimes with the formation of axial recirculation zones are presented. The convection-diffusion model is used for the determination of the flow particle concentration and the formation of typical sedimentation zones.

  4. The Eddington approximation calculation of radiation flux in the atmosphere–ocean system

    International Nuclear Information System (INIS)

    Shi, Chong; Nakajima, Teruyuki

    2015-01-01

    An analytical approximation method is presented to calculate the radiation flux in the atmosphere–ocean system using the Eddington approximation when the upwelling radiation from the ocean body is negligibly small. Numerical experiments were carried out to investigate the feasibility of the method in two cases: flat and rough ocean surfaces. The results show good consistency for the reflectivity at the top of atmosphere and transmissivity just above the ocean surface, in comparison with the exact values calculated by radiative transfer models in each case. Moreover, an obvious error might be introduced for the calculation of radiation flux at larger solar zenith angles when the roughness of the ocean surface is neglected. - Highlights: • The Eddington approximation method is extended to the atmosphere–ocean system. • The roughness of ocean surface cannot be neglected at lager solar zenith angles. • Unidirectional reflectivity for rough ocean surface is proposed

  5. FEAST fundamental framework for electronic structure calculations: Reformulation and solution of the muffin-tin problem

    Science.gov (United States)

    Levin, Alan R.; Zhang, Deyin; Polizzi, Eric

    2012-11-01

    In a recent article Polizzi (2009) [15], the FEAST algorithm has been presented as a general purpose eigenvalue solver which is ideally suited for addressing the numerical challenges in electronic structure calculations. Here, FEAST is presented beyond the “black-box” solver as a fundamental modeling framework which can naturally address the original numerical complexity of the electronic structure problem as formulated by Slater in 1937 [3]. The non-linear eigenvalue problem arising from the muffin-tin decomposition of the real-space domain is first derived and then reformulated to be solved exactly within the FEAST framework. This new framework is presented as a fundamental and practical solution for performing both accurate and scalable electronic structure calculations, bypassing the various issues of using traditional approaches such as linearization and pseudopotential techniques. A finite element implementation of this FEAST framework along with simulation results for various molecular systems is also presented and discussed.

  6. Numeric kinetic energy operators for molecules in polyspherical coordinates

    International Nuclear Information System (INIS)

    Sadri, Keyvan; Meyer, Hans-Dieter; Lauvergnat, David; Gatti, Fabien

    2012-01-01

    Generalized curvilinear coordinates, as, e.g., polyspherical coordinates, are in general better adapted to the resolution of the nuclear Schrödinger equation than rectilinear ones like the normal mode coordinates. However, analytical expressions of the kinetic energy operators (KEOs) for molecular systems in polyspherical coordinates may be prohibitively complicated for large systems. In this paper we propose a method to generate a KEO numerically and bring it to a form practicable for dynamical calculations. To examine the new method we calculated vibrational spectra and eigenenergies for nitrous acid (HONO) and compare it with results obtained with an exact analytical KEO derived previously [F. Richter, P. Rosmus, F. Gatti, and H.-D. Meyer, J. Chem. Phys. 120, 6072 (2004)]. In a second example we calculated π→π* photoabsorption spectrum and eigenenergies of ethene (C 2 H 4 ) and compared it with previous work [M. R. Brill, F. Gatti, D. Lauvergnat, and H.-D. Meyer, Chem. Phys. 338, 186 (2007)]. In this ethene study the dimensionality was reduced from 12 to 6 by freezing six internal coordinates. Results for both molecules show that the proposed method for obtaining an approximate KEO is reliable for dynamical calculations. The error in eigenenergies was found to be below 1 cm −1 for most states calculated.

  7. Some exact velocity profiles for granular flow in converging hoppers

    Science.gov (United States)

    Cox, Grant M.; Hill, James M.

    2005-01-01

    Gravity flow of granular materials through hoppers occurs in many industrial processes. For an ideal cohesionless granular material, which satisfies the Coulomb-Mohr yield condition, the number of known analytical solutions is limited. However, for the special case of the angle of internal friction δ equal to ninety degrees, there exist exact parametric solutions for the governing coupled ordinary differential equations for both two-dimensional wedges and three-dimensional cones, both of which involve two arbitrary constants of integration. These solutions are the only known analytical solutions of this generality. Here, we utilize the double-shearing theory of granular materials to determine the velocity field corresponding to these exact parametric solutions for the two problems of gravity flow through converging wedge and conical hoppers. An independent numerical solution for other angles of internal friction is shown to coincide with the analytical solution.

  8. Fast calculation method of computer-generated hologram using a depth camera with point cloud gridding

    Science.gov (United States)

    Zhao, Yu; Shi, Chen-Xiao; Kwon, Ki-Chul; Piao, Yan-Ling; Piao, Mei-Lan; Kim, Nam

    2018-03-01

    We propose a fast calculation method for a computer-generated hologram (CGH) of real objects that uses a point cloud gridding method. The depth information of the scene is acquired using a depth camera and the point cloud model is reconstructed virtually. Because each point of the point cloud is distributed precisely to the exact coordinates of each layer, each point of the point cloud can be classified into grids according to its depth. A diffraction calculation is performed on the grids using a fast Fourier transform (FFT) to obtain a CGH. The computational complexity is reduced dramatically in comparison with conventional methods. The feasibility of the proposed method was confirmed by numerical and optical experiments.

  9. Shielding calculations for NET

    International Nuclear Information System (INIS)

    Verschuur, K.A.; Hogenbirk, A.

    1991-05-01

    In the European Fusion Technology Programme there is only a small activity on research and development for fusion neutronics. Never-the-less, looking further than blanket design now, as ECN is getting involved in design of radiation shields for the coils and biological shields, it becomes apparent that fusion neutronics as a whole still needs substantial development. Existing exact codes for calculation of complex geometries like MCNP and DORT/TORT are put over the limits of their numerical capabilities, whilst approximate codes for complex geometries like FURNACE and MERCURE4 are put over the limits of their modelling capabilities. The main objective of this study is just to find out how far we can get with existing codes in obtaining reliable values for the radiation levels inside and outside the cryostat/shield during operation and after shut-down. Starting with a 1D torus model for preliminary parametric studies, more dimensional approximation of the torus or parts of it including the main heterogeneities should follow. Regular contacts with the NET-Team are kept, to be aware of main changes in NET design that might affect our calculation models. Work on the contract started 1 July 1990. The technical description of the contract is given. (author). 14 refs.; 4 figs.; 1 tab

  10. Exact Open Quantum System Dynamics Using the Hierarchy of Pure States (HOPS).

    Science.gov (United States)

    Hartmann, Richard; Strunz, Walter T

    2017-12-12

    We show that the general and numerically exact Hierarchy of Pure States method (HOPS) is very well applicable to calculate the reduced dynamics of an open quantum system. In particular, we focus on environments with a sub-Ohmic spectral density (SD) resulting in an algebraic decay of the bath correlation function (BCF). The universal applicability of HOPS, reaching from weak to strong coupling for zero and nonzero temperature, is demonstrated by solving the spin-boson model for which we find perfect agreement with other methods, each one suitable for a special regime of parameters. The challenges arising in the strong coupling regime are not only reflected in the computational effort needed for the HOPS method to converge but also in the necessity for an importance sampling mechanism, accounted for by the nonlinear variant of HOPS. In order to include nonzero-temperature effects in the strong coupling regime we found that it is highly favorable for the HOPS method to use the zero-temperature BCF and include temperature via a stochastic Hermitian contribution to the system Hamiltonian.

  11. Numerical Hydrodynamics in Special Relativity.

    Science.gov (United States)

    Martí, José Maria; Müller, Ewald

    2003-01-01

    This review is concerned with a discussion of numerical methods for the solution of the equations of special relativistic hydrodynamics (SRHD). Particular emphasis is put on a comprehensive review of the application of high-resolution shock-capturing methods in SRHD. Results of a set of demanding test bench simulations obtained with different numerical SRHD methods are compared. Three applications (astrophysical jets, gamma-ray bursts and heavy ion collisions) of relativistic flows are discussed. An evaluation of various SRHD methods is presented, and future developments in SRHD are analyzed involving extension to general relativistic hydrodynamics and relativistic magneto-hydrodynamics. The review further provides FORTRAN programs to compute the exact solution of a 1D relativistic Riemann problem with zero and nonzero tangential velocities, and to simulate 1D relativistic flows in Cartesian Eulerian coordinates using the exact SRHD Riemann solver and PPM reconstruction. Supplementary material is available for this article at 10.12942/lrr-2003-7 and is accessible for authorized users.

  12. Comparison of methods for calculating decay lifetimes

    International Nuclear Information System (INIS)

    Tobocman, W.

    1978-01-01

    A simple scattering model is used to test alternative methods for calculating decay lifetimes, or equivalently, resonance widths. We consider the scattering of s-wave particles by a square well with a square barrier. Exact values for resonance energies and resonance widths are compared with values calculated from Wigner-Weisskopf perturbation theory and from the Garside-MacDonald projection operator formalism. The Garside-MacDonald formalism gives essentially exact results while the predictions of the Wigner-Weisskopf formalism are fairly poor

  13. Numerical Calculation of Coherent Synchrotron Radiation Effects Using TraFiC4

    International Nuclear Information System (INIS)

    Kabel, Andreas C.

    2000-01-01

    Coherent synchrotron radiation (CSR) occurs when short bunches travel on strongly bent trajectories. Its effects on high-quality beams can be severe and are well understood qualitatively. For quantitative results, however, one has to rely on numerical methods. There exist several simulation codes utilizing different approaches. The authors describe in some detail the code TraFiC 4 developed at DESY for design and analysis purposes, which approaches the problem from first principles and solves the equations of motion either perturbatively or self-consistently. They present some calculational results and comparison with experimental data. Also, they give examples of how the code can be used to design beamlines with minimal emittance growth due to CSR

  14. A numerical calculation method for flow discretisation in complex geometry with body-fitted grids

    International Nuclear Information System (INIS)

    Jin, X.

    2001-04-01

    A numerical calculation method basing on body fitted grids is developed in this work for computational fluid dynamics in complex geometry. The method solves the conservation equations in a general nonorthogonal coordinate system which matches the curvilinear boundary. The nonorthogonal, patched grid is generated by a grid generator which solves algebraic equations. By means of an interface its geometrical data can be used by this method. The conservation equations are transformed from the Cartesian system to a general curvilinear system keeping the physical Cartesian velocity components as dependent variables. Using a staggered arrangement of variables, the three Cartesian velocity components are defined on every cell surface. Thus the coupling between pressure and velocity is ensured, and numerical oscillations are avoided. The contravariant velocity for calculating mass flux on one cell surface is resulting from dependent Cartesian velocity components. After the discretisation and linear interpolation, a three dimensional 19-point pressure equation is found. Using the explicit treatment for cross-derivative terms, it reduces to the usual 7-point equation. Under the same data and process structure, this method is compatible with the code FLUTAN using Cartesian coordinates. In order to verify this method, several laminar flows are simulated in orthogonal grids at tilted space directions and in nonorthogonal grids with variations of cell angles. The simulated flow types are considered like various duct flows, transient heat conduction, natural convection in a chimney and natural convection in cavities. Their results achieve very good agreement with analytical solutions or empirical data. Convergence for highly nonorthogonal grids is obtained. After the successful validation of this method, it is applied for a reactor safety case. A transient natural convection flow for an optional sump cooling concept SUCO is simulated. The numerical result is comparable with the

  15. New method for the exact determination of the effective conductivity and the local field in RLC networks

    International Nuclear Information System (INIS)

    Zekri, L.; Zekri, N.; Bouamrane, R.

    1999-10-01

    We present a new numerical method for determining exactly the effective conductivity and the local field for random RLC networks. This method is compared to a real space renormalization group method and the Frank and Lobb method. Although our method is slower than the Frank and Lobb method, it also computes exactly the local field for large size systems. We also show that the renormalization group method fails in determining the local field. (author)

  16. Numerical calculation of unsteady turbulent heat transfer in a circular tube considering for heat dissipation in a wale

    International Nuclear Information System (INIS)

    Groshev, A.I.; Slobodchuk, V.I.

    1986-01-01

    The results of numerical calculation of the conjugated problem of convective heat transfer under unsteady conditions are presented. The equations describing heat transfer take into account longitudinal heat diffusion in liquid and in a wall. The formulae for calculating local heat flows at the wall-liquid surface in the case of an arbitrary law of temperature variation at the outer wall surface along the channel length are proposed for steady-state heat transfer conditions

  17. ADHD and math - The differential effect on calculation and estimation.

    Science.gov (United States)

    Ganor-Stern, Dana; Steinhorn, Ofir

    2018-05-31

    Adults with ADHD were compared to controls when solving multiplication problems exactly and when estimating the results of multidigit multiplication problems relative to reference numbers. The ADHD participants were slower than controls in the exact calculation and in the estimation tasks, but not less accurate. The ADHD participants were similar to controls in showing enhanced accuracy and speed for smaller problem sizes, for trials in which the reference numbers were smaller (vs. larger) than the exact answers and for reference numbers that were far (vs. close) from the exact answer. The two groups similarly used the approximated calculation and the sense of magnitude strategies. They differed however in strategy execution, mainly of the approximated calculation strategy, which requires working memory resources. The increase in reaction time associated with using the approximated calculation strategy was larger for the ADHD compared to the control participants. Thus, ADHD seems to selectively impair calculation processes in estimation tasks that rely on working memory, but it does not hamper estimation skills that are based on sense of magnitude. The educational implications of these findings are discussed. Copyright © 2018. Published by Elsevier B.V.

  18. Class of nonsingular exact solutions for Laplacian pattern formation

    International Nuclear Information System (INIS)

    Mineev-Weinstein, M.B.; Dawson, S.P.

    1994-01-01

    We present a class of exact solutions for the so-called Laplacian growth equation describing the zero-surface-tension limit of a variety of two-dimensional pattern formation problems. These solutions are free of finite-time singularities (cusps) for quite general initial conditions. They reproduce various features of viscous fingering observed in experiments and numerical simulations with surface tension, such as existence of stagnation points, screening, tip splitting, and coarsening. In certain cases the asymptotic interface consists of N separated moving Saffman-Taylor fingers

  19. Periodic Anderson model with correlated conduction electrons: Variational and exact diagonalization study

    Science.gov (United States)

    Hagymási, I.; Itai, K.; Sólyom, J.

    2012-06-01

    We investigate an extended version of the periodic Anderson model (the so-called periodic Anderson-Hubbard model) with the aim to understand the role of interaction between conduction electrons in the formation of the heavy-fermion and mixed-valence states. Two methods are used: (i) variational calculation with the Gutzwiller wave function optimizing numerically the ground-state energy and (ii) exact diagonalization of the Hamiltonian for short chains. The f-level occupancy and the renormalization factor of the quasiparticles are calculated as a function of the energy of the f orbital for a wide range of the interaction parameters. The results obtained by the two methods are in reasonably good agreement for the periodic Anderson model. The agreement is maintained even when the interaction between band electrons, Ud, is taken into account, except for the half-filled case. This discrepancy can be explained by the difference between the physics of the one- and higher-dimensional models. We find that this interaction shifts and widens the energy range of the bare f level, where heavy-fermion behavior can be observed. For large-enough Ud this range may lie even above the bare conduction band. The Gutzwiller method indicates a robust transition from Kondo insulator to Mott insulator in the half-filled model, while Ud enhances the quasiparticle mass when the filling is close to half filling.

  20. Exact Riemann solutions of the Ripa model for flat and non-flat bottom topographies

    Science.gov (United States)

    Rehman, Asad; Ali, Ishtiaq; Qamar, Shamsul

    2018-03-01

    This article is concerned with the derivation of exact Riemann solutions for Ripa model considering flat and non-flat bottom topographies. The Ripa model is a system of shallow water equations accounting for horizontal temperature gradients. In the case of non-flat bottom topography, the mass, momentum and energy conservation principles are utilized to relate the left and right states across the step-type bottom topography. The resulting system of algebraic equations is solved iteratively. Different numerical case studies of physical interest are considered. The solutions obtained from developed exact Riemann solvers are compared with the approximate solutions of central upwind scheme.

  1. Eikonal calculation of electron-capture cross sections in collisions of H atoms with fast projectiles

    International Nuclear Information System (INIS)

    Ho, T.S.; Lieber, M.; Chan, F.T.

    1981-01-01

    We have employed the eikonal method to calculate the cross section for the capture of an electron into an arbitrary nl subshell in collisions between hydrogen atoms and fast projectiles. the projectiles were protons, C 6+ , O 8+ , and Fe 24+ . The energy ranges considered were 20--100 keV in the proton case, and 40--200 keV per nucleon in the other cases. These projectiles were selected because of their importance in fusion plasmas. For the highly charged case of Fe 24+ we found that our formulas, while exact, involved a high degree of cancellation and produced unreliable numerical results, so that a numerical integration of the penultimate formula was substituted. In the proton case agreement with recent experimental data is excellent

  2. Exact Solutions of the Time Fractional BBM-Burger Equation by Novel (G′/G-Expansion Method

    Directory of Open Access Journals (Sweden)

    Muhammad Shakeel

    2014-01-01

    Full Text Available The fractional derivatives are used in the sense modified Riemann-Liouville to obtain exact solutions for BBM-Burger equation of fractional order. This equation can be converted into an ordinary differential equation by using a persistent fractional complex transform and, as a result, hyperbolic function solutions, trigonometric function solutions, and rational solutions are attained. The performance of the method is reliable, useful, and gives newer general exact solutions with more free parameters than the existing methods. Numerical results coupled with the graphical representation completely reveal the trustworthiness of the method.

  3. Anisotropic kernel p(μ → μ') for transport calculations of elastically scattered neutrons

    International Nuclear Information System (INIS)

    Stevenson, B.

    1985-01-01

    Literature in the area of anisotropic neutron scattering is by no means lacking. Attention, however, is usually devoted to solution of some particular neutron transport problem and the model employed is at best approximate. The present approach to the problem in general is classically exact and may be of some particular value to individuals seeking exact numerical results in transport calculations. For attempts neutrons originally directed toward the unit vector Omega, it attempts the evaluation of p(theta'), defined such that p(theta') d theta' is that fraction of scattered neutrons that emerges in the vicinity of a cone i.e., having been scattered to between angles theta' and theta' + d theta' with the axis of preferred orientation i; Omega makes an angle theta with i. The relative simplicity of the final form of the solution for hydrogen, in spite of the complicated nature of the limits involved, is a trade-off that truly is not necessary. The exact general solution presented here in integral form, has exceedingly simple limits, i.e., 0 ≤ theta' ≤ π regardless of the material involved; but the form of the final solution is extraordinarily complicated

  4. Onium-onium scattering at fixed impact parameter: exact equivalence between the color dipole model and the BFKL pomeron

    International Nuclear Information System (INIS)

    Navelet, H.

    1998-01-01

    We compute the onium-onium scattering amplitude at fixed impact parameter in the framework of the perturbative QCD dipole model. Relying on the conformal properties of the dipole cascade and of the elementary dipole-dipole scattering amplitude, we obtain an exact result for this onium-onium scattering amplitude, which is proved to be identical to the BFKL result, and which exhibits the frame invariance of the calculation. The asymptotic expression for this amplitude and for the dipole distribution in an onium at fixed impact parameter agree with previous numerical simulations. We show how it is possible to describe onium-e ± deep inelastic scattering in the dipole model, relying on k T -factorization properties. The elementary scattering amplitudes involved in the various processes are computed using eikonal techniques. (orig.)

  5. Calculation of nuclear moment of inertia with proper treatment of pairing interaction

    International Nuclear Information System (INIS)

    Tazaki, S.; Ando, Y.; Hasegawa, M.

    1997-01-01

    An attempt to calculate nuclear moments of inertia treating the pairing interaction exactly is reported. As usual, hamiltonian is composed of the Nilsson's singleparticle energies and the pairing interaction, but the eigenstates and the eigenvalues are calculated exactly in a realistic, sufficiently large model space. The method of calculating the moment of inertia is presented. (author)

  6. A TURBO-GENERATOR DESIGN SYNTHESIS BASED ON THE NUMERICAL-FIELD CALCULATIONS AT VARYING THE NUMBER OF STATOR SLOTS

    Directory of Open Access Journals (Sweden)

    V. I. Milykh

    2016-12-01

    Full Text Available Purpose. The work is dedicated to the presentation of the principle of construction and implementation of an automated synthesis system of the turbo-generator (TG electromagnetic system in the case of its modernization. This is done on the example of changing the number of the stator core slots. Methodology. The basis of the synthesis is a TG basic construction. Its structure includes the mathematical and physical-geometrical models, as well as the calculation model for the FEMM software environment, providing the numerical calculations of the magnetic fields and electromagnetic parameters of TG. The mathematical model links the changing and basic dimensions and parameters of the electromagnetic system, provided that the TG power parameters are ensured. The physical-geometrical model is the geometric mapping of the electromagnetic system with the specified physical properties of its elements. This model converts the TG electromagnetic system in a calculation model for the FEMM program. Results. Testing of the created synthesis system is carried out on the example of the 340 MW TG. The geometric, electromagnetic and power parameters of its basic construction and its new variants at the different numbers of the stator slots are compared. The harmonic analysis of the temporal function of the stator winding EMF is also made for the variants being compared. Originality. The mathematical model, relating the new and base parameters of TG at the changing of the number of the stator slots is created. A Lua script, providing the numerical-field calculations of the TG electromagnetic parameters in the FEMM software environment is worked out. Construction of the constructive and calculation models, the numerical-field calculations and delivery of results are performed by a computer automatically, that ensures high efficiency of the TG design process. Practical value. The considered version of the TG modernization on the example of changing the number of the

  7. Numerical investigation of sixth order Boussinesq equation

    Science.gov (United States)

    Kolkovska, N.; Vucheva, V.

    2017-10-01

    We propose a family of conservative finite difference schemes for the Boussinesq equation with sixth order dispersion terms. The schemes are of second order of approximation. The method is conditionally stable with a mild restriction τ = O(h) on the step sizes. Numerical tests are performed for quadratic and cubic nonlinearities. The numerical experiments show second order of convergence of the discrete solution to the exact one.

  8. On the exact S-matrix from CP sup(n-1) and SU(n) chiral Thirring model

    International Nuclear Information System (INIS)

    Abdalla, E.; Abdalla, M.C.B.

    1980-03-01

    The S-matrix of CP sub(n-1) and SU(n) Thirring model is calculated, perturbatively, up to 2 loops. The calculation shows striking similarities, but the S -matrix has some deviations from the expected exact one. (Author) [pt

  9. Exact nonparametric confidence bands for the survivor function.

    Science.gov (United States)

    Matthews, David

    2013-10-12

    A method to produce exact simultaneous confidence bands for the empirical cumulative distribution function that was first described by Owen, and subsequently corrected by Jager and Wellner, is the starting point for deriving exact nonparametric confidence bands for the survivor function of any positive random variable. We invert a nonparametric likelihood test of uniformity, constructed from the Kaplan-Meier estimator of the survivor function, to obtain simultaneous lower and upper bands for the function of interest with specified global confidence level. The method involves calculating a null distribution and associated critical value for each observed sample configuration. However, Noe recursions and the Van Wijngaarden-Decker-Brent root-finding algorithm provide the necessary tools for efficient computation of these exact bounds. Various aspects of the effect of right censoring on these exact bands are investigated, using as illustrations two observational studies of survival experience among non-Hodgkin's lymphoma patients and a much larger group of subjects with advanced lung cancer enrolled in trials within the North Central Cancer Treatment Group. Monte Carlo simulations confirm the merits of the proposed method of deriving simultaneous interval estimates of the survivor function across the entire range of the observed sample. This research was supported by the Natural Sciences and Engineering Research Council (NSERC) of Canada. It was begun while the author was visiting the Department of Statistics, University of Auckland, and completed during a subsequent sojourn at the Medical Research Council Biostatistics Unit in Cambridge. The support of both institutions, in addition to that of NSERC and the University of Waterloo, is greatly appreciated.

  10. Summation of Parquet diagrams as an ab initio method in nuclear structure calculations

    International Nuclear Information System (INIS)

    Bergli, Elise; Hjorth-Jensen, Morten

    2011-01-01

    Research highlights: → We present a Green's function based approach for doing ab initio nuclear structure calculations. → In particular the sum the subset of so-called Parquet diagrams. → Applying the theory to a simple but realistic model, results in good agreement with other ab initio methods. → This opens up for ab initio calculations for medium-heavy nuclei. - Abstract: In this work we discuss the summation of the Parquet class of diagrams within Green's function theory as a possible framework for ab initio nuclear structure calculations. The theory is presented and some numerical details are discussed, in particular the approximations employed. We apply the Parquet method to a simple model, and compare our results with those from an exact solution. The main conclusion is that even at the level of approximation presented here, the results shows good agreement with other comparable ab initio approaches.

  11. Exact solutions of the Navier-Stokes equations generalized for flow in porous media

    Science.gov (United States)

    Daly, Edoardo; Basser, Hossein; Rudman, Murray

    2018-05-01

    Flow of Newtonian fluids in porous media is often modelled using a generalized version of the full non-linear Navier-Stokes equations that include additional terms describing the resistance to flow due to the porous matrix. Because this formulation is becoming increasingly popular in numerical models, exact solutions are required as a benchmark of numerical codes. The contribution of this study is to provide a number of non-trivial exact solutions of the generalized form of the Navier-Stokes equations for parallel flow in porous media. Steady-state solutions are derived in the case of flows in a medium with constant permeability along the main direction of flow and a constant cross-stream velocity in the case of both linear and non-linear drag. Solutions are also presented for cases in which the permeability changes in the direction normal to the main flow. An unsteady solution for a flow with velocity driven by a time-periodic pressure gradient is also derived. These solutions form a basis for validating computational models across a wide range of Reynolds and Darcy numbers.

  12. Comparison of different approaches to the numerical calculation of the LMJ focal

    Directory of Open Access Journals (Sweden)

    Bourgeade A.

    2013-11-01

    Full Text Available The beam smoothing in the focal plane of high power lasers is of particular importance to laser-plasma interaction studies in order to minimize plasma parametric and hydrodynamic instabilities on the target. Here we investigate the focal spot structure in different geometrical configurations where standard paraxial hypotheses are no longer verified. We present numerical studies in the cases of single flat top square beam, LMJ quadruplet and complete ring of quads with large azimuth angle. Different calculations are made with Fresnel diffraction propagation model in the paraxial approximation and full vector Maxwell's equations. The first model is based on Fourier transform from near to far field method. The second model uses first spherical wave decomposition in plane waves with Fourier transform and propagates them to the focal spot. These two different approaches are compared with Miró [1] modeling results using paraxial or Feit and Fleck options. The methods presented here are generic for focal spot calculations. They can be used for other complex geometric configurations and various smoothing techniques. The results will be used as boundary conditions in plasma interaction computations.

  13. Exact comparison of dose rate measurements and calculation of TN12/2 packages

    International Nuclear Information System (INIS)

    Taniuchi, H.; Matsuda, F.

    1998-01-01

    Both of dose rate measurements of TN 12/2 package and calculations by Monte Carlo code MORSE in SCALE code system and MCNP were performed to evaluate the difference between the measurement and the calculation and finding out the cause of the difference. The calculated gamma-ray dose rates agreed well with measured ones, but calculated neutron dose rates overestimated more than a factor of 1.7. When considering the cause of the difference and applying the modification into the neutron calculation, the calculated neutron dose rates become to agree well, and the factor decreased to around 1.3. (authors)

  14. A low-dispersion, exactly energy-charge-conserving semi-implicit relativistic particle-in-cell algorithm

    Science.gov (United States)

    Chen, Guangye; Luis, Chacon; Bird, Robert; Stark, David; Yin, Lin; Albright, Brian

    2017-10-01

    Leap-frog based explicit algorithms, either ``energy-conserving'' or ``momentum-conserving'', do not conserve energy discretely. Time-centered fully implicit algorithms can conserve discrete energy exactly, but introduce large dispersion errors in the light-wave modes, regardless of timestep sizes. This can lead to intolerable simulation errors where highly accurate light propagation is needed (e.g. laser-plasma interactions, LPI). In this study, we selectively combine the leap-frog and Crank-Nicolson methods to produce a low-dispersion, exactly energy-and-charge-conserving PIC algorithm. Specifically, we employ the leap-frog method for Maxwell equations, and the Crank-Nicolson method for particle equations. Such an algorithm admits exact global energy conservation, exact local charge conservation, and preserves the dispersion properties of the leap-frog method for the light wave. The algorithm has been implemented in a code named iVPIC, based on the VPIC code developed at LANL. We will present numerical results that demonstrate the properties of the scheme with sample test problems (e.g. Weibel instability run for 107 timesteps, and LPI applications.

  15. Exact solutions to nonlinear symmetron theory: One- and two-mirror systems

    Science.gov (United States)

    Brax, Philippe; Pitschmann, Mario

    2018-03-01

    We derive the exact analytical solutions to the symmetron field theory equations in the presence of a one- or two-mirror system. The one-dimensional equations of motion are integrated exactly for both systems and their solutions can be expressed in terms of Jacobi elliptic functions. Surprisingly, in the case of two parallel mirrors, the equations of motion generically provide not a unique solution but a discrete set of solutions with increasing number of nodes and energies. The solutions obtained herein can be applied to q BOUNCE experiments, neutron interferometry and for the calculation of the symmetron-field-induced "Casimir force" in the CANNEX experiment.

  16. Exact solutions and numerical simulation of longitudinal vibration of the Rayleigh-Love rods with variable cross-sections

    CSIR Research Space (South Africa)

    Shatalov, M

    2012-09-01

    Full Text Available Exact solutions of equations of longitudinal vibration of conical and exponential rod are analyzed for the Rayleigh-Love model. These solutions are used as reference results for checking accuracy of the method of lines. It is shown that the method...

  17. The sagitta and lens thickness: the exact solution and a matrix approximation for lenses with toric, spherical, and cylindrical surfaces.

    Science.gov (United States)

    Harris, W F

    1989-03-01

    The exact equation for sagitta of spherical surfaces is generalized to toric surfaces which include spherical and cylindrical surfaces as special cases. Lens thickness, therefore, can be calculated accurately anywhere on a lens even in cases of extreme spherical and cylindrical powers and large diameters. The sagittae of tire- and barrel-form toric surfaces differ off the principal meridians, as is shown by a numerical example. The same holds for pulley- and capstan-form toric surfaces. A general expression is given for thickness at an arbitrary point on a toric lens. Approximate expressions are derived and re-expressed in terms of matrices. The matrix provides an elegant means of generalizing equations for spherical surfaces and lenses to toric surfaces and lenses.

  18. Fast Exact Euclidean Distance (FEED): A new class of adaptable distance transforms

    NARCIS (Netherlands)

    Schouten, Theo E.; van den Broek, Egon

    2014-01-01

    A new unique class of foldable distance transforms of digital images (DT) is introduced, baptized: Fast Exact Euclidean Distance (FEED) transforms. FEED class algorithms calculate the DT starting directly from the definition or rather its inverse. The principle of FEED class algorithms is

  19. Fast Exact Euclidean Distance (FEED) : A new class of adaptable distance transforms

    NARCIS (Netherlands)

    Schouten, Theo E.; van den Broek, Egon L.

    2014-01-01

    A new unique class of foldable distance transforms of digital images (DT) is introduced, baptized: Fast Exact Euclidean Distance (FEED) transforms. FEED class algorithms calculate the DT startingdirectly from the definition or rather its inverse. The principle of FEED class algorithms is introduced,

  20. Numerical Solution and Simulation of Second-Order Parabolic PDEs with Sinc-Galerkin Method Using Maple

    Directory of Open Access Journals (Sweden)

    Aydin Secer

    2013-01-01

    Full Text Available An efficient solution algorithm for sinc-Galerkin method has been presented for obtaining numerical solution of PDEs with Dirichlet-type boundary conditions by using Maple Computer Algebra System. The method is based on Whittaker cardinal function and uses approximating basis functions and their appropriate derivatives. In this work, PDEs have been converted to algebraic equation systems with new accurate explicit approximations of inner products without the need to calculate any numeric integrals. The solution of this system of algebraic equations has been reduced to the solution of a matrix equation system via Maple. The accuracy of the solutions has been compared with the exact solutions of the test problem. Computational results indicate that the technique presented in this study is valid for linear partial differential equations with various types of boundary conditions.

  1. Numerical calculation of elastohydrodynamic lubrication methods and programs

    CERN Document Server

    Huang, Ping

    2015-01-01

    The book not only offers scientists and engineers a clear inter-disciplinary introduction and orientation to all major EHL problems and their solutions but, most importantly, it also provides numerical programs on specific application in engineering. A one-stop reference providing equations and their solutions to all major elastohydrodynamic lubrication (EHL) problems, plus numerical programs on specific applications in engineering offers engineers and scientists a clear inter-disciplinary introduction and a concise program for practical engineering applications to most important EHL problems

  2. Benchmarking time-dependent renormalized natural orbital theory with exact solutions for a laser-driven model helium atom

    Energy Technology Data Exchange (ETDEWEB)

    Brics, Martins

    2016-12-09

    Intense, ultra-short laser pulses interacting with atoms, molecules, clusters, and solids give rise to many new fascinating phenomena, not at all accessible to quantum mechanics textbook perturbation theory. A full numerical solution of the time-dependent Schr¨odinger equation (TDSE) for such strong-field problems is also impossible for more than two electrons. Hence, powerful time-dependent quantum many-body approaches need to be developed. Unfortunately, efficient methods such as time-dependent density functional theory (TDDFT) fail in reproducing experimental observations, in particular if strong correlations are involved. In TDDFT, the approximation not only lies in the so-called exchange correlation potential but also in the density functionals for the observables of interest. In fact, with just the single-particle density alone it is unclear how to calculate, e.g., multiple-ionization probabilities or photoelectron spectra, or, even worse, correlated photoelectron spectra, as measured in nowadays experiments. In general, the simple structure of the time-dependent many-body Schroedinger equation for a highly-dimensional many-body wavefunction can only be traded for more complicated equations of motion for simpler quantities. In this thesis, a theory is examined that goes one step beyond TDDFT as far as the complexity of the propagated quantity is concerned. In time-dependent renormalized natural orbital theory (TDRNOT), the basic quantities that are propagated in time are the eigenvalues and eigenstates of the one-body reduced density matrix (1-RDM). The eigenstates are called natural orbitals (NOs), the eigenvalues are the corresponding occupation numbers (ONs). Compared to TDDFT, the knowledge of the NOs and the ONs relax the problem of calculating observables in practice because they can be used to construct the 1-RDM and the two-body reduced density matrix (2-RDM). After the derivation of the equations of motion for a combination of NOs and ONs, the so

  3. Benchmarking time-dependent renormalized natural orbital theory with exact solutions for a laser-driven model helium atom

    International Nuclear Information System (INIS)

    Brics, Martins

    2016-01-01

    Intense, ultra-short laser pulses interacting with atoms, molecules, clusters, and solids give rise to many new fascinating phenomena, not at all accessible to quantum mechanics textbook perturbation theory. A full numerical solution of the time-dependent Schr¨odinger equation (TDSE) for such strong-field problems is also impossible for more than two electrons. Hence, powerful time-dependent quantum many-body approaches need to be developed. Unfortunately, efficient methods such as time-dependent density functional theory (TDDFT) fail in reproducing experimental observations, in particular if strong correlations are involved. In TDDFT, the approximation not only lies in the so-called exchange correlation potential but also in the density functionals for the observables of interest. In fact, with just the single-particle density alone it is unclear how to calculate, e.g., multiple-ionization probabilities or photoelectron spectra, or, even worse, correlated photoelectron spectra, as measured in nowadays experiments. In general, the simple structure of the time-dependent many-body Schroedinger equation for a highly-dimensional many-body wavefunction can only be traded for more complicated equations of motion for simpler quantities. In this thesis, a theory is examined that goes one step beyond TDDFT as far as the complexity of the propagated quantity is concerned. In time-dependent renormalized natural orbital theory (TDRNOT), the basic quantities that are propagated in time are the eigenvalues and eigenstates of the one-body reduced density matrix (1-RDM). The eigenstates are called natural orbitals (NOs), the eigenvalues are the corresponding occupation numbers (ONs). Compared to TDDFT, the knowledge of the NOs and the ONs relax the problem of calculating observables in practice because they can be used to construct the 1-RDM and the two-body reduced density matrix (2-RDM). After the derivation of the equations of motion for a combination of NOs and ONs, the so

  4. Review of numerical special relativistic hydrodynamics

    NARCIS (Netherlands)

    D.E.A. van Odyck (Daniel)

    2002-01-01

    textabstractThis paper gives an overview of numerical methods for special relativistichydrodynamics (SRHD). First, a short summary of special relativity is given. Next, the SRHD equations are introduced. The exact solution for the SRHD Riemann problem is described. This solution is used in a Godunov

  5. Aging and coarsening in isolated quantum systems after a quench: Exact results for the quantum O(N) model with N → ∞.

    Science.gov (United States)

    Maraga, Anna; Chiocchetta, Alessio; Mitra, Aditi; Gambassi, Andrea

    2015-10-01

    The nonequilibrium dynamics of an isolated quantum system after a sudden quench to a dynamical critical point is expected to be characterized by scaling and universal exponents due to the absence of time scales. We explore these features for a quench of the parameters of a Hamiltonian with O(N) symmetry, starting from a ground state in the disordered phase. In the limit of infinite N, the exponents and scaling forms of the relevant two-time correlation functions can be calculated exactly. Our analytical predictions are confirmed by the numerical solution of the corresponding equations. Moreover, we find that the same scaling functions, yet with different exponents, also describe the coarsening dynamics for quenches below the dynamical critical point.

  6. Exact Jacobians of Roe-type flux difference splitting of the equations of radiation hydrodynamics (and Euler equations) for use in time-implicit higher-order Godunov schemes

    International Nuclear Information System (INIS)

    Balsara, D.S.

    1999-01-01

    In this paper we analyze some of the numerical issues that are involved in making time-implicit higher-order Godunov schemes for the equations of radiation hydrodynamics (and the Euler or Navier-Stokes equations). This is done primarily with the intent of incorporating such methods in the author's RIEMANN code. After examining the issues it is shown that the construction of a time-implicit higher-order Godunov scheme for radiation hydrodynamics would be benefited by our ability to evaluate exact Jacobians of the numerical flux that is based on Roe-type flux difference splitting. In this paper we show that this can be done analytically in a form that is suitable for efficient computational implementation. It is also shown that when multiple fluid species are used or when multiple radiation frequencies are used the computational cost in the evaluation of the exact Jacobians scales linearly with the number of fluid species or the number of radiation frequencies. Connections are made to other types of numerical fluxes, especially those based on flux difference splittings. It is shown that the evaluation of the exact Jacobian for such numerical fluxes is also benefited by the present strategy and the results given here. It is, however, pointed out that time-implicit schemes that are based on the evaluation of the exact Jacobians for flux difference splittings using the methods developed here are both computationally more efficient and numerically more stable than corresponding time-implicit schemes that are based on the evaluation of the exact or approximate Jacobians for flux vector splittings. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  7. Validation of accuracy and stability of numerical simulation for 2-D heat transfer system by an entropy production approach

    Directory of Open Access Journals (Sweden)

    Brohi Ali Anwar

    2017-01-01

    Full Text Available The entropy production in 2-D heat transfer system has been analyzed systematically by using the finite volume method, to develop new criteria for the numerical simulation in case of multidimensional systems, with the aid of the CFD codes. The steady-state heat conduction problem has been investigated for entropy production, and the entropy production profile has been calculated based upon the current approach. From results for 2-D heat conduction, it can be found that the stability of entropy production profile exhibits a better agreement with the exact solution accordingly, and the current approach is effective for measuring the accuracy and stability of numerical simulations for heat transfer problems.

  8. About simple nonlinear and linear superpositions of special exact solutions of Veselov-Novikov equation

    International Nuclear Information System (INIS)

    Dubrovsky, V. G.; Topovsky, A. V.

    2013-01-01

    New exact solutions, nonstationary and stationary, of Veselov-Novikov (VN) equation in the forms of simple nonlinear and linear superpositions of arbitrary number N of exact special solutions u (n) , n= 1, …, N are constructed via Zakharov and Manakov ∂-dressing method. Simple nonlinear superpositions are represented up to a constant by the sums of solutions u (n) and calculated by ∂-dressing on nonzero energy level of the first auxiliary linear problem, i.e., 2D stationary Schrödinger equation. It is remarkable that in the zero energy limit simple nonlinear superpositions convert to linear ones in the form of the sums of special solutions u (n) . It is shown that the sums u=u (k 1 ) +...+u (k m ) , 1 ⩽k 1 2 m ⩽N of arbitrary subsets of these solutions are also exact solutions of VN equation. The presented exact solutions include as superpositions of special line solitons and also superpositions of plane wave type singular periodic solutions. By construction these exact solutions represent also new exact transparent potentials of 2D stationary Schrödinger equation and can serve as model potentials for electrons in planar structures of modern electronics.

  9. Calculations of hydrogen detonations in nuclear containments by the random choice method

    International Nuclear Information System (INIS)

    Delichatsios, M.A.; Genadry, M.B.

    1983-01-01

    Computer codes were developed for the prediction of pressure histories at different points of a nuclear containment wall due to postulated internal hydrogen detonations. These pressure histories are required to assess the structural response of a nuclear containment to hydrogen detonations. The compressible flow equations including detonation, which was treated as a sharp fluid discontinuity, were solved by the random choice method which reproduces maximum pressures and discontinuities sharply. The computer codes were validated by calculating pressure profiles and maximum wall pressures for plane and spherical geometries and comparing the results with exact analytic solutions. The two-dimensional axisymmetric program was used to calculate wall pressure histories in an actual nuclear containment. The numerical results for wall pressures are presented in a dimensionless form, which allows their use for different combinations of hydrogen concentration, and initial conditions. (orig.)

  10. Numerical investigation on effects of induced jet on boundary layer and turbulent models around airfoils

    Energy Technology Data Exchange (ETDEWEB)

    Shojaeefard, M.H.; Pirnia, A.; Fallahian, M.A. [Iran University of Science and Technology, School of Mechanical Engineering, Tehran (Iran, Islamic Republic of); Tahani, M. [Iran University of Science and Technology, School of Mechanical Engineering, Tehran (Iran, Islamic Republic of); University of Tehran, Faculty of New Science and Technology, Tehran (Iran, Islamic Republic of)

    2012-06-15

    In this study the effects of induced jet at trailing edge of a two dimensional airfoil on its boundary layer shape, separation over surface and turbulent parameters behind trailing edge are numerically investigated and compared against a previous experimental data. After proving independency of results from mesh size and obtaining the required mesh size, different turbulent models are examined and RNG k-epsilon model is chosen because of good agreement with experimental data in velocity and turbulent intensity variations. A comparison between ordinary and jet induced cases, regarding numerical data, is made. The results showed that because of low number of measurement points in experimental study, turbulent intensity extremes are not captured. While in numerical study, these values and their positions are well calculated and exact variation of turbulent intensity is acquired. Also a study in effect of jet at high angles of attack is done and the results showed the ability of jet in controlling separation and reducing wake region. (orig.)

  11. A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations

    International Nuclear Information System (INIS)

    Song, Linze; Shi, Qiang

    2015-01-01

    We present a new non-perturbative method to calculate the charge carrier mobility using the imaginary time path integral approach, which is based on the Kubo formula for the conductivity, and a saddle point approximation to perform the analytic continuation. The new method is first tested using a benchmark calculation from the numerical exact hierarchical equations of motion method. Imaginary time path integral Monte Carlo simulations are then performed to explore the temperature dependence of charge carrier delocalization and mobility in organic molecular crystals (OMCs) within the Holstein and Holstein-Peierls models. The effects of nonlocal electron-phonon interaction on mobility in different charge transport regimes are also investigated

  12. On the exact interpolating function in ABJ theory

    Energy Technology Data Exchange (ETDEWEB)

    Cavaglià, Andrea [Dipartimento di Fisica and INFN, Università di Torino,Via P. Giuria 1, 10125 Torino (Italy); Gromov, Nikolay [Mathematics Department, King’s College London,The Strand, London WC2R 2LS (United Kingdom); St. Petersburg INP,Gatchina, 188 300, St.Petersburg (Russian Federation); Levkovich-Maslyuk, Fedor [Mathematics Department, King’s College London,The Strand, London WC2R 2LS (United Kingdom); Nordita, KTH Royal Institute of Technology and Stockholm University,Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden)

    2016-12-16

    Based on the recent indications of integrability in the planar ABJ model, we conjecture an exact expression for the interpolating function h(λ{sub 1},λ{sub 2}) in this theory. Our conjecture is based on the observation that the integrability structure of the ABJM theory given by its Quantum Spectral Curve is very rigid and does not allow for a simple consistent modification. Under this assumption, we revised the previous comparison of localization results and exact all loop integrability calculations done for the ABJM theory by one of the authors and Grigory Sizov, fixing h(λ{sub 1},λ{sub 2}). We checked our conjecture against various weak coupling expansions, at strong coupling and also demonstrated its invariance under the Seiberg-like duality. This match also gives further support to the integrability of the model. If our conjecture is correct, it extends all the available integrability results in the ABJM model to the ABJ model.

  13. An hp-adaptive strategy for the solution of the exact kernel curved wire Pocklington equation

    NARCIS (Netherlands)

    D.J.P. Lahaye (Domenico); P.W. Hemker (Piet)

    2007-01-01

    textabstractIn this paper we introduce an adaptive method for the numerical solution of the Pocklington integro-differential equation with exact kernel for the current induced in a smoothly curved thin wire antenna. The hp-adaptive technique is based on the representation of the discrete solution,

  14. An Exact Solution of the Gamma Ray Burst Arrival Time Analysis ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    An Exact Solution of the Gamma Ray Burst Arrival Time Analysis. Problem. S. Sinha ISRO Satellite Center, Bangalore 560 017, India. Abstract. An analytical solution of the GRB arrival time analysis is presented. The errors in the position of the GRB resulting from timing and position errors of different satellites are calculated.

  15. Numerical Solution of the Electron Transport Equation in the Upper Atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Woods, Mark Christopher [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Holmes, Mark [Rensselaer Polytechnic Inst., Troy, NY (United States); Sailor, William C [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-07-01

    A new approach for solving the electron transport equation in the upper atmosphere is derived. The problem is a very stiff boundary value problem, and to obtain an accurate numerical solution, matrix factorizations are used to decouple the fast and slow modes. A stable finite difference method is applied to each mode. This solver is applied to a simplifieed problem for which an exact solution exists using various versions of the boundary conditions that might arise in a natural auroral display. The numerical and exact solutions are found to agree with each other to at least two significant digits.

  16. Algorithms for Calculating Alternating Infinite Series

    International Nuclear Information System (INIS)

    Garcia, Hector Luna; Garcia, Luz Maria

    2015-01-01

    This paper are presented novel algorithms for exact limits of a broad class of infinite alternating series. Many of these series are found in physics and other branches of science and their exact values found for us are in complete agreement with the values obtained by other authors. Finally, these simple methods are very powerful in calculating the limits of many series as shown by the examples

  17. A finite element formulation for perturbation theory calculations

    International Nuclear Information System (INIS)

    Ozgener, B.; Kaluc, S.

    2004-01-01

    Full text: When the introduced change in the configuration of a nuclear system is neutronically not too significant, the use of the perturbation theory approximation ('the perturbation theory method' or PTM) is usually considered as an alternative to the recalculation of the effective multiplication factor (K eff ) of the modified system ('the diffusion theory method' or DTM) for the determination of the ensuing change in reactivity. In the DTM, the change in reactivity due to the introduced change can be calculated by the multigroup diffusion theory by performing two K eff determinations, one for the original and one for the modified system. The accuracy of this method is only limited by the approximations inherent in the multigroup diffusion theory and the numerical method employed for its solution. The error stemming from the numerical approximation can be nearly eliminated by utilizing a fine enough spatial mesh ad an 'exact' solution is nearly possible. Its basic disadvantage relative to the PTM is the necessity of a new K eff calculation for every change in the configuration no matter how small. On the other hand, if we use PTM, with an only one-time calculation of the flux and the adjoint flux of the original system, the change in reactivity due to any kind of perturbation can be approximately calculated using the changes in the cross section data in the perturbation theory reactivity formula. The accuracy of the PTM is restricted by the size and location of the induced change. In this work, our aim is to assess the accuracy of PTM relative to the DTM and determine criteria for the justification of its use. For all required solutions of the normal and adjoint multigroup diffusion equations, we choose the finite element method (FEM) as our numerical method and a 1-D cylindrical geometry model. The underlying theory is implemented in our FORTRAN program PERTURB. The validation of PERTURB is carried out via comparisons with analytical solutions for bare and

  18. Computing the demagnetizing tensor for finite difference micromagnetic simulations via numerical integration

    International Nuclear Information System (INIS)

    Chernyshenko, Dmitri; Fangohr, Hans

    2015-01-01

    In the finite difference method which is commonly used in computational micromagnetics, the demagnetizing field is usually computed as a convolution of the magnetization vector field with the demagnetizing tensor that describes the magnetostatic field of a cuboidal cell with constant magnetization. An analytical expression for the demagnetizing tensor is available, however at distances far from the cuboidal cell, the numerical evaluation of the analytical expression can be very inaccurate. Due to this large-distance inaccuracy numerical packages such as OOMMF compute the demagnetizing tensor using the explicit formula at distances close to the originating cell, but at distances far from the originating cell a formula based on an asymptotic expansion has to be used. In this work, we describe a method to calculate the demagnetizing field by numerical evaluation of the multidimensional integral in the demagnetizing tensor terms using a sparse grid integration scheme. This method improves the accuracy of computation at intermediate distances from the origin. We compute and report the accuracy of (i) the numerical evaluation of the exact tensor expression which is best for short distances, (ii) the asymptotic expansion best suited for large distances, and (iii) the new method based on numerical integration, which is superior to methods (i) and (ii) for intermediate distances. For all three methods, we show the measurements of accuracy and execution time as a function of distance, for calculations using single precision (4-byte) and double precision (8-byte) floating point arithmetic. We make recommendations for the choice of scheme order and integrating coefficients for the numerical integration method (iii). - Highlights: • We study the accuracy of demagnetization in finite difference micromagnetics. • We introduce a new sparse integration method to compute the tensor more accurately. • Newell, sparse integration and asymptotic method are compared for all ranges

  19. Exact extraction method for road rutting laser lines

    Science.gov (United States)

    Hong, Zhiming

    2018-02-01

    This paper analyzes the importance of asphalt pavement rutting detection in pavement maintenance and pavement administration in today's society, the shortcomings of the existing rutting detection methods are presented and a new rutting line-laser extraction method based on peak intensity characteristic and peak continuity is proposed. The intensity of peak characteristic is enhanced by a designed transverse mean filter, and an intensity map of peak characteristic based on peak intensity calculation for the whole road image is obtained to determine the seed point of the rutting laser line. Regarding the seed point as the starting point, the light-points of a rutting line-laser are extracted based on the features of peak continuity, which providing exact basic data for subsequent calculation of pavement rutting depths.

  20. An efficient numerical progressive diagonalization scheme for the quantum Rabi model revisited

    International Nuclear Information System (INIS)

    Pan, Feng; Bao, Lina; Dai, Lianrong; Draayer, Jerry P

    2017-01-01

    An efficient numerical progressive diagonalization scheme for the quantum Rabi model is revisited. The advantage of the scheme lies in the fact that the quantum Rabi model can be solved almost exactly by using the scheme that only involves a finite set of one variable polynomial equations. The scheme is especially efficient for a specified eigenstate of the model, for example, the ground state. Some low-lying level energies of the model for several sets of parameters are calculated, of which one set of the results is compared to that obtained from the Braak’s exact solution proposed recently. It is shown that the derivative of the entanglement measure defined in terms of the reduced von Neumann entropy with respect to the coupling parameter does reach the maximum near the critical point deduced from the classical limit of the Dicke model, which may provide a probe of the critical point of the crossover in finite quantum many-body systems, such as that in the quantum Rabi model. (paper)

  1. Numerical Models for Exact Description of in-situ Digital In-Line Holography Experiments with Irregularly-Shaped Arbitrarily-Located Particles

    Directory of Open Access Journals (Sweden)

    Marc Brunel

    2015-04-01

    Full Text Available We present the development of a numerical simulator for digital in-line holography applications. In-line holograms of arbitrarily shaped and arbitrarily located objects are calculated using generalized Huygens-Fresnel integrals. The objects are 2D opaque or phase objects. The optical set-up is described by its optical transfer matrix. A wide variety of optical systems, involving windows, spherical or cylindrical lenses, can thus be taken into account. It makes the simulator applicable for design and description of in situ experiments. We discuss future applications of this simulator for detection of nanoparticles in droplets, or calibration of airborne instruments that detect and measure ice crystals in the atmosphere.

  2. 3D Analytical Calculation of Forces between Linear Halbach-Type Permanent Magnet Arrays

    OpenAIRE

    Allag , Hicham; Yonnet , Jean-Paul; Latreche , Mohamed E. H.

    2009-01-01

    International audience; Usely, in analytical calculation of magnetic and mechanical quantities of Halbach systems, the authors use the Fourier series approximation because the exact calculations are more difficult. In this work the interaction forces between linear Halbach arrays are analytically calculated thanks to our recent development 3D exact calculation of forces between two cuboïdal magnets with parallel and perpendicular magnetization. We essentially describe the way to separately ca...

  3. Calculation of large Reynolds number two-dimensional flow using discrete vortices with random walk

    International Nuclear Information System (INIS)

    Milinazzo, F.; Saffman, P.G.

    1977-01-01

    The numerical calculation of two-dimensional rotational flow at large Reynolds number is considered. The method of replacing a continuous distribution of vorticity by a finite number, N, of discrete vortices is examined, where the vortices move under their mutually induced velocities plus a random component to simulate effects of viscosity. The accuracy of the method is studied by comparison with the exact solution for the decay of a circular vortex. It is found, and analytical arguments are produced in support, that the quantitative error is significant unless N is large compared with a characteristic Reynolds number. The mutually induced velocities are calculated by both direct summation and by the ''cloud in cell'' technique. The latter method is found to produce comparable error and to be much faster

  4. Numerical determination of elastic positron- and electron-atom scattering phaseshifts

    International Nuclear Information System (INIS)

    Page, B.A.P.

    1976-01-01

    Numerical investigations of both the positron- and electron-hydrogen systems in the elastic scattering energy region are presented. For the positron-hydrogen system, modifications of the Kohn variational method are used in which the quantities etasub(v) and etasub(Q) are related to the trial wavefunction PSIsub(t) through integral expressions using approximations to the target wavefunction psi. The quantities etasub(v) and etasub(Q) become the Kohn elastic phaseshifts when the exact target wavefunction is used. From the results obtained for the positron-hydrogen system it is conjectured that if the values of either etasub(v) or etasub(Q) display a local maximum when all the nonlinear parameters of PSIsub(t) are varied, then this local maximum value is a good approximation to the Kohn elastic phaseshifts that would be obtained by replacing the approximate psi with the exact psi in the particular PSIsub(t) used in the calculations. Application of this procedure to the positron-helium elastic scattering system is given using Hylleraas-type approximations to the helium ground-state wavefunction. Both the positron- and electron-hydrogen systems are analysed in the elastic scattering energy region using a modified optical potential method. The results suggest that the local maximum value of the modified optical potential phaseshift when all the nonlinear parameters of PSIsub(t) are varied, is reasonably close to the normal optical potential phaseshift obtained when the exact psi is used. (author)

  5. How to integrate divergent integrals: a pure numerical approach to complex loop calculations

    International Nuclear Information System (INIS)

    Caravaglios, F.

    2000-01-01

    Loop calculations involve the evaluation of divergent integrals. Usually [G. 't Hooft, M. Veltman, Nucl. Phys. B 44 (1972) 189] one computes them in a number of dimensions different than four where the integral is convergent and then one performs the analytical continuation and considers the Laurent expansion in powers of ε=n-4. In this paper we discuss a method to extract directly all coefficients of this expansion by means of concrete and well defined integrals in a five-dimensional space. We by-pass the formal and symbolic procedure of analytic continuation; instead we can numerically compute the integrals to extract directly both the coefficient of the pole 1/ε and the finite part

  6. Application of synthetic diffusion method in the numerical solution of the equations of neutron transport in slab geometry

    International Nuclear Information System (INIS)

    Valdes Parra, J.J.

    1986-01-01

    One of the main problems in reactor physics is to determine the neutron distribution in reactor core, since knowing that, it is possible to calculate the rapidity of occurrence of different nuclear reaction inside the reactor core. Within different theories existing in nuclear reactor physics, is neutron transport the one in which equation who govern the exact behavior of neutronic distribution are developed even inside the proper neutron transport theory, there exist different methods of solution which are approximations to exact solution; still more, with the purpose to reach a more precise solution, the majority of methods have been approached to the obtention of solutions in numerical form with the aim of take the advantages of modern computers, and for this reason a great deal of effort is dedicated to numerical solution of the equations of neutron transport. In agreement with the above mentioned, in this work has been developed a computer program which uses a relatively new techniques known as 'acceleration of synthetic diffusion' which has been applied to solve the neutron transport equation with 'classical schemes of spatial integration' obtaining results with a smaller quantity of interactions, if they compare to done without using such equation (Author)

  7. Probability density of tunneled carrier states near heterojunctions calculated numerically by the scattering method.

    Energy Technology Data Exchange (ETDEWEB)

    Wampler, William R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Myers, Samuel M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Modine, Normand A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-09-01

    The energy-dependent probability density of tunneled carrier states for arbitrarily specified longitudinal potential-energy profiles in planar bipolar devices is numerically computed using the scattering method. Results agree accurately with a previous treatment based on solution of the localized eigenvalue problem, where computation times are much greater. These developments enable quantitative treatment of tunneling-assisted recombination in irradiated heterojunction bipolar transistors, where band offsets may enhance the tunneling effect by orders of magnitude. The calculations also reveal the density of non-tunneled carrier states in spatially varying potentials, and thereby test the common approximation of uniform- bulk values for such densities.

  8. An Exact Line Integral Representation of the Physical Optics Far Field from Plane PEC Scatterers Illuminnated by Hertzian Dipoles

    DEFF Research Database (Denmark)

    Arslanagic, Samel; Meincke, Peter; Jørgensen, Erik

    2003-01-01

    We derive a line integral representation of the physical optics scattered far field that yields the exact same result as the conventional surface radiation integral. This representation applies to a perfectly electrically conducting plane scatterer illuminated by electric or magnetic Hertzian...... dipoles. The source and observation points can take on almost arbitrary positions. To illustrate the exactness and efficiency of the new line integral, numerical comparisons with the conventional surface radiation integral are carried out....

  9. Exact solutions of time-dependent Dirac equations and the quantum-classical correspondence

    International Nuclear Information System (INIS)

    Zhang Zhiguo

    2006-01-01

    Exact solutions to the Dirac equations with a time-dependent mass and a static magnetic field or a time-dependent linear potential are given. Matrix elements of the coordinate, momentum and velocity operator are calculated. In the large quantum number limit, these matrix elements give the classical solution

  10. Exact evaluation of the rates of electrostatic decay and scattering off thermal ions for an unmagnetized Maxwellian plasma

    Energy Technology Data Exchange (ETDEWEB)

    Layden, B.; Cairns, Iver H.; Robinson, P. A. [School of Physics, University of Sydney, Sydney, NSW 2006 (Australia)

    2013-08-15

    Electrostatic decay of Langmuir waves into Langmuir and ion sound waves (L→L′+S) and scattering of Langmuir waves off thermal ions (L+i→L′+i′, also called “nonlinear Landau damping”) are important nonlinear weak-turbulence processes. The rates for these processes depend on the quadratic longitudinal response function α{sup (2)} (or, equivalently, the quadratic longitudinal susceptibility χ{sup (2)}), which describes the second-order response of a plasma to electrostatic wave fields. Previous calculations of these rates for an unmagnetized Maxwellian plasma have relied upon an approximate form for α{sup (2)} that is valid where two of the wave fields are fast (i.e., v{sub φ}=ω/k≫V{sub e} where ω is the angular frequency, k is the wavenumber, and V{sub e} is the electron thermal speed) and one is slow (v{sub φ}≪V{sub e}). Recently, an exact expression was derived for α{sup (2)} that is valid for any phase speeds of the three waves in an unmagnetized Maxwellian plasma. Here, this exact α{sup (2)} is applied to the calculation of the three-dimensional rates for electrostatic decay and scattering off thermal ions, and the resulting exact rates are compared with the approximate rates. The calculations are performed using previously derived three-dimensional rates for electrostatic decay given in terms of a general α{sup (2)}, and newly derived three-dimensional rates for scattering off thermal ions; the scattering rate is derived assuming a Maxwellian ion distribution, and both rates are derived assuming arc distributions for the wave spectra. For most space plasma conditions, the approximate rate is found to be accurate to better than 20%; however, for sufficiently low Langmuir phase speeds (v{sub φ}/V{sub e}≈3) appropriate to some spatial domains of the foreshock regions of planetary bow shocks and type II solar radio bursts, the use of the exact rate may be necessary for accurate calculations. The relative rates of electrostatic decay

  11. The exact fundamental solution for the Benes tracking problem

    Science.gov (United States)

    Balaji, Bhashyam

    2009-05-01

    The universal continuous-discrete tracking problem requires the solution of a Fokker-Planck-Kolmogorov forward equation (FPKfe) for an arbitrary initial condition. Using results from quantum mechanics, the exact fundamental solution for the FPKfe is derived for the state model of arbitrary dimension with Benes drift that requires only the computation of elementary transcendental functions and standard linear algebra techniques- no ordinary or partial differential equations need to be solved. The measurement process may be an arbitrary, discrete-time nonlinear stochastic process, and the time step size can be arbitrary. Numerical examples are included, demonstrating its utility in practical implementation.

  12. Correlation energy functional within the GW -RPA: Exact forms, approximate forms, and challenges

    Science.gov (United States)

    Ismail-Beigi, Sohrab

    2010-05-01

    In principle, the Luttinger-Ward Green’s-function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact expressions for the correlation energy within the GW -random-phase approximation that are more amenable to computation and allow for developing efficient approximations to the self-energy operator and correlation energy. The exact form is a sum over differences between plasmon and interband energies. The approximate forms are based on summing over screened interband transitions. We also demonstrate that blind extremization of such functionals leads to unphysical results: imposing physical constraints on the allowed solutions (Green’s functions) is necessary. Finally, we present some relevant numerical results for atomic systems.

  13. Exact solution to the Coulomb wave using the linearized phase-amplitude method

    Directory of Open Access Journals (Sweden)

    Shuji Kiyokawa

    2015-08-01

    Full Text Available The author shows that the amplitude equation from the phase-amplitude method of calculating continuum wave functions can be linearized into a 3rd-order differential equation. Using this linearized equation, in the case of the Coulomb potential, the author also shows that the amplitude function has an analytically exact solution represented by means of an irregular confluent hypergeometric function. Furthermore, it is shown that the exact solution for the Coulomb potential reproduces the wave function for free space expressed by the spherical Bessel function. The amplitude equation for the large component of the Dirac spinor is also shown to be the linearized 3rd-order differential equation.

  14. Exact Bremsstrahlung and effective couplings

    Energy Technology Data Exchange (ETDEWEB)

    Mitev, Vladimir [Institut für Physik, WA THEP, Johannes Gutenberg-Universität Mainz,Staudingerweg 7, 55128 Mainz (Germany); Institut für Mathematik und Institut für Physik, Humboldt-Universität zu Berlin,IRIS Haus, Zum Großen Windkanal 6, 12489 Berlin (Germany); Pomoni, Elli [DESY Hamburg, Theory Group, Notkestrasse 85, D-22607 Hamburg (Germany); Physics Division, National Technical University of Athens,15780 Zografou Campus, Athens (Greece)

    2016-06-13

    We calculate supersymmetric Wilson loops on the ellipsoid for a large class of N=2 SCFT using the localization formula of Hama and Hosomichi. From them we extract the radiation emitted by an accelerating heavy probe quark as well as the entanglement entropy following the recent works of Lewkowycz-Maldacena and Fiol-Gerchkovitz-Komargodski. Comparing our results with the N=4 SYM ones, we obtain interpolating functions f(g{sup 2}) such that a given N=2 SCFT observable is obtained by replacing in the corresponding N=4 SYM result the coupling constant by f(g{sup 2}). These “exact effective couplings” encode the finite, relative renormalization between the N=2 and the N=4 gluon propagator and they interpolate between the weak and the strong coupling. We discuss the range of their applicability.

  15. BCJ numerators from reduced Pfaffian

    Energy Technology Data Exchange (ETDEWEB)

    Du, Yi-Jian [Center for Theoretical Physics, School of Physics and Technology, Wuhan University,No. 299 Bayi Road, Wuhan 430072 (China); Teng, Fei [Department of Physics and Astronomy, University of Utah,115 South 1400 East, Salt Lake City, UT 84112 (United States)

    2017-04-07

    By expanding the reduced Pfaffian in the tree level Cachazo-He-Yuan (CHY) integrands for Yang-Mills (YM) and nonlinear sigma model (NLSM), we can get the Bern-Carrasco-Johansson (BCJ) numerators in Del Duca-Dixon-Maltoni (DDM) form for arbitrary number of particles in any spacetime dimensions. In this work, we give a set of very straightforward graphic rules based on spanning trees for a direct evaluation of the BCJ numerators for YM and NLSM. Such rules can be derived from the Laplace expansion of the corresponding reduced Pfaffian. For YM, the each one of the (n−2)! DDM form BCJ numerators contains exactly (n−1)! terms, corresponding to the increasing trees with respect to the color order. For NLSM, the number of nonzero numerators is at most (n−2)!−(n−3)!, less than those of several previous constructions.

  16. Experimental and Numerical Simulation of Unbalance Response in Vertical Test Rig with Tilting-Pad Bearings

    Directory of Open Access Journals (Sweden)

    Mattias Nässelqvist

    2014-01-01

    Full Text Available In vertically oriented machines with journal bearing, there are no predefined static radial loads, such as dead weight for horizontal rotor. Most of the commercial software is designed to calculate rotordynamic and bearing properties based on machines with a horizontally oriented rotor; that is, the bearing properties are calculated at a static eccentricity. For tilting-pad bearings, there are no existing analytical expressions for bearing parameters and the bearing parameters are dependent on eccentricity and load angle. The objective of this paper is to present a simplified method to perform numerical simulations on vertical rotors including bearing parameters. Instead of recalculating the bearing parameters in each time step polynomials are used to represent the bearing parameters for present eccentricities and load angles. Numerical results are compared with results from tests performed in a test rig. The test rig consists of two guide bearings and a midspan rotor. The guide bearings are 4-pad tilting-pad bearings. Shaft displacement and strains in the bearing bracket are measured to determine the test rig’s properties. The comparison between measurements and simulated results shows small deviations in absolute displacement and load levels, which can be expected due to difficulties in calculating exact bearing parameters.

  17. Numerical Calculation of Transport Based on the Drift Kinetic Equation for plasmas in General Toroidal Magnetic Geometry

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    This report is the first of a series dedicated to the numerical calculation of the evolution of fusion plasmas in general toroidal geometry, including TJ-II plasmas. A kinetic treatment has been chosen: the evolution equation of the distribution function of one or several plasma species is solved in guiding center coordinates. The distribution function is written as a Maxwellian one modulated by polynomial series in the kinetic coordinates with no other approximations than those of the guiding center itself and the computation capabilities. The code allows also for the inclusion of the three-dimensional electrostatic potential in a self-consistent manner, but the initial objective has been set to solving only the neoclassical transport. A high order conservative method (Spectral Difference Method) has been chosen in order to discretized the equation for its numerical solution. In this first report, in addition to justifying the work, the evolution equation and its approximations are described, as well as the baseline of the numerical procedures. (Author) 28 refs

  18. Exact cosmological solutions for MOG

    International Nuclear Information System (INIS)

    Roshan, Mahmood

    2015-01-01

    We find some new exact cosmological solutions for the covariant scalar-tensor-vector gravity theory, the so-called modified gravity (MOG). The exact solution of the vacuum field equations has been derived. Also, for non-vacuum cases we have found some exact solutions with the aid of the Noether symmetry approach. More specifically, the symmetry vector and also the Noether conserved quantity associated to the point-like Lagrangian of the theory have been found. Also we find the exact form of the generic vector field potential of this theory by considering the behavior of the relevant point-like Lagrangian under the infinitesimal generator of the Noether symmetry. Finally, we discuss the cosmological implications of the solutions. (orig.)

  19. Fluctuations of one-body observables. Comparison between exact predictions and numerical simulation

    International Nuclear Information System (INIS)

    Burgio, G.F.; Benhassine, B.; Remaud, B.; Sebille, F.

    1994-01-01

    Within the framework of a stochastic transport equation, we discuss a theoretical approach in order to derive the general covariance matrix of phase-space fluctuations and the dispersion of one-body variables at equilibrium. We compare with the independently obtained numerical results of Chomaz, Burgio and Randrup. The analysis proves the validity of the general approach. (orig.)

  20. Fluctuations of one-body observables. Comparison between exact predictions and numerical simulation

    Energy Technology Data Exchange (ETDEWEB)

    Burgio, G.F. (Lab. de Physique Nucleaire/CNRS and Univ. de Nantes, 44 Nantes (France)); Benhassine, B. (Lab. de Physique Nucleaire/CNRS and Univ. de Nantes, 44 Nantes (France)); Remaud, B. (Lab. de Physique Nucleaire/CNRS and Univ. de Nantes, 44 Nantes (France)); Sebille, F. (Lab. de Physique Nucleaire/CNRS and Univ. de Nantes, 44 Nantes (France))

    1994-01-24

    Within the framework of a stochastic transport equation, we discuss a theoretical approach in order to derive the general covariance matrix of phase-space fluctuations and the dispersion of one-body variables at equilibrium. We compare with the independently obtained numerical results of Chomaz, Burgio and Randrup. The analysis proves the validity of the general approach. (orig.)

  1. The numerical simulation of convection delayed dominated diffusion equation

    Directory of Open Access Journals (Sweden)

    Mohan Kumar P. Murali

    2016-01-01

    Full Text Available In this paper, we propose a fitted numerical method for solving convection delayed dominated diffusion equation. A fitting factor is introduced and the model equation is discretized by cubic spline method. The error analysis is analyzed for the consider problem. The numerical examples are solved using the present method and compared the result with the exact solution.

  2. Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock.

    Science.gov (United States)

    Hesselmann, Andreas; Görling, Andreas

    2011-01-21

    A recently introduced time-dependent exact-exchange (TDEXX) method, i.e., a response method based on time-dependent density-functional theory that treats the frequency-dependent exchange kernel exactly, is reformulated. In the reformulated version of the TDEXX method electronic excitation energies can be calculated by solving a linear generalized eigenvalue problem while in the original version of the TDEXX method a laborious frequency iteration is required in the calculation of each excitation energy. The lowest eigenvalues of the new TDEXX eigenvalue equation corresponding to the lowest excitation energies can be efficiently obtained by, e.g., a version of the Davidson algorithm appropriate for generalized eigenvalue problems. Alternatively, with the help of a series expansion of the new TDEXX eigenvalue equation, standard eigensolvers for large regular eigenvalue problems, e.g., the standard Davidson algorithm, can be used to efficiently calculate the lowest excitation energies. With the help of the series expansion as well, the relation between the TDEXX method and time-dependent Hartree-Fock is analyzed. Several ways to take into account correlation in addition to the exact treatment of exchange in the TDEXX method are discussed, e.g., a scaling of the Kohn-Sham eigenvalues, the inclusion of (semi)local approximate correlation potentials, or hybrids of the exact-exchange kernel with kernels within the adiabatic local density approximation. The lowest lying excitations of the molecules ethylene, acetaldehyde, and pyridine are considered as examples.

  3. Quasi-exact solutions of nonlinear differential equations

    OpenAIRE

    Kudryashov, Nikolay A.; Kochanov, Mark B.

    2014-01-01

    The concept of quasi-exact solutions of nonlinear differential equations is introduced. Quasi-exact solution expands the idea of exact solution for additional values of parameters of differential equation. These solutions are approximate solutions of nonlinear differential equations but they are close to exact solutions. Quasi-exact solutions of the the Kuramoto--Sivashinsky, the Korteweg--de Vries--Burgers and the Kawahara equations are founded.

  4. Perturbed Coulomb Potentials in the Klein-Gordon Equation: Quasi-Exact Solution

    Science.gov (United States)

    Baradaran, M.; Panahi, H.

    2018-05-01

    Using the Lie algebraic approach, we present the quasi-exact solutions of the relativistic Klein-Gordon equation for perturbed Coulomb potentials namely the Cornell potential, the Kratzer potential and the Killingbeck potential. We calculate the general exact expressions for the energies, corresponding wave functions and the allowed values of the parameters of the potential within the representation space of sl(2) Lie algebra. In addition, we show that the considered equations can be transformed into the Heun's differential equations and then we reproduce the results using the associated special functions. Also, we study the special case of the Coulomb potential and show that in the non-relativistic limit, the solution of the Klein-Gordon equation converges to that of Schrödinger equation.

  5. Exact ground state of finite Bose-Einstein condensates on a ring

    International Nuclear Information System (INIS)

    Sakmann, Kaspar; Streltsov, Alexej I.; Alon, Ofir E.; Cederbaum, Lorenz S.

    2005-01-01

    The exact ground state of the many-body Schroedinger equation for N bosons on a one-dimensional ring interacting via a pairwise δ-function interaction is presented for up to 50 particles. The solutions are obtained by solving Lieb and Liniger's system of coupled transcendental equations numerically for finite N. The ground-state energies for repulsive and attractive interactions are shown to be smoothly connected at the point of zero interaction strength, implying that the Bethe ansatz can be used also for attractive interactions for all cases studied. For repulsive interactions the exact energies are compared to (i) Lieb and Liniger's thermodynamic limit solution and (ii) the Tonks-Girardeau gas limit. It is found that the energy of the thermodynamic limit solution can differ substantially from that of the exact solution for finite N when the interaction is weak or when N is small. A simple relation between the Tonks-Girardeau gas limit and the solution for finite interaction strength is revealed. For attractive interactions we find that the true ground-state energy is given to a good approximation by the energy of the system of N attractive bosons on an infinite line, provided the interaction is stronger than the critical interaction strength of mean-field theory

  6. A two-dimensional discontinuous heterogeneous finite element method for neutron transport calculations

    International Nuclear Information System (INIS)

    Masiello, E.; Sanchez, R.

    2007-01-01

    A discontinuous heterogeneous finite element method is presented and discussed. The method is intended for realistic numerical pin-by-pin lattice calculations when an exact representation of the geometric shape of the pins is made without need for homogenization. The method keeps the advantages of conventional discrete ordinate methods, such as fast execution together with the possibility to deal with a large number of spatial meshes, while minimizing the need for geometric modeling. It also provides a complete factorization in space, angle, and energy for the discretized matrices and minimizes, thus, storage requirements. An angular multigrid acceleration technique has also been developed to speed up the rate of convergence of the inner iterations. A particular aspect of this acceleration is the introduction of boundary restriction and prolongation operators that minimize oscillatory behavior and enhance positivity. Numerical tests are presented that show the high precision of the method and the efficiency of the angular multigrid acceleration. (authors)

  7. Exact series expansions, recurrence relations, properties and integrals of the generalized exponential integral functions

    International Nuclear Information System (INIS)

    Altac, Zekeriya

    2007-01-01

    Generalized exponential integral functions (GEIF) are encountered in multi-dimensional thermal radiative transfer problems in the integral equation kernels. Several series expansions for the first-order generalized exponential integral function, along with a series expansion for the general nth order GEIF, are derived. The convergence issues of these series expansions are investigated numerically as well as theoretically, and a recurrence relation which does not require derivatives of the GEIF is developed. The exact series expansions of the two dimensional cylindrical and/or two-dimensional planar integral kernels as well as their spatial moments have been explicitly derived and compared with numerical values

  8. Image reconstruction of single photon emission computed tomography (SPECT) on a pebble bed reactor (PBR) using expectation maximization and exact inversion algorithms: Comparison study by means of numerical phantom

    Energy Technology Data Exchange (ETDEWEB)

    Razali, Azhani Mohd, E-mail: azhani@nuclearmalaysia.gov.my; Abdullah, Jaafar, E-mail: jaafar@nuclearmalaysia.gov.my [Plant Assessment Technology (PAT) Group, Industrial Technology Division, Malaysian Nuclear Agency, Bangi, 43000 Kajang (Malaysia)

    2015-04-29

    Single Photon Emission Computed Tomography (SPECT) is a well-known imaging technique used in medical application, and it is part of medical imaging modalities that made the diagnosis and treatment of disease possible. However, SPECT technique is not only limited to the medical sector. Many works are carried out to adapt the same concept by using high-energy photon emission to diagnose process malfunctions in critical industrial systems such as in chemical reaction engineering research laboratories, as well as in oil and gas, petrochemical and petrochemical refining industries. Motivated by vast applications of SPECT technique, this work attempts to study the application of SPECT on a Pebble Bed Reactor (PBR) using numerical phantom of pebbles inside the PBR core. From the cross-sectional images obtained from SPECT, the behavior of pebbles inside the core can be analyzed for further improvement of the PBR design. As the quality of the reconstructed image is largely dependent on the algorithm used, this work aims to compare two image reconstruction algorithms for SPECT, namely the Expectation Maximization Algorithm and the Exact Inversion Formula. The results obtained from the Exact Inversion Formula showed better image contrast and sharpness, and shorter computational time compared to the Expectation Maximization Algorithm.

  9. Image reconstruction of single photon emission computed tomography (SPECT) on a pebble bed reactor (PBR) using expectation maximization and exact inversion algorithms: Comparison study by means of numerical phantom

    International Nuclear Information System (INIS)

    Razali, Azhani Mohd; Abdullah, Jaafar

    2015-01-01

    Single Photon Emission Computed Tomography (SPECT) is a well-known imaging technique used in medical application, and it is part of medical imaging modalities that made the diagnosis and treatment of disease possible. However, SPECT technique is not only limited to the medical sector. Many works are carried out to adapt the same concept by using high-energy photon emission to diagnose process malfunctions in critical industrial systems such as in chemical reaction engineering research laboratories, as well as in oil and gas, petrochemical and petrochemical refining industries. Motivated by vast applications of SPECT technique, this work attempts to study the application of SPECT on a Pebble Bed Reactor (PBR) using numerical phantom of pebbles inside the PBR core. From the cross-sectional images obtained from SPECT, the behavior of pebbles inside the core can be analyzed for further improvement of the PBR design. As the quality of the reconstructed image is largely dependent on the algorithm used, this work aims to compare two image reconstruction algorithms for SPECT, namely the Expectation Maximization Algorithm and the Exact Inversion Formula. The results obtained from the Exact Inversion Formula showed better image contrast and sharpness, and shorter computational time compared to the Expectation Maximization Algorithm

  10. Image reconstruction of single photon emission computed tomography (SPECT) on a pebble bed reactor (PBR) using expectation maximization and exact inversion algorithms: Comparison study by means of numerical phantom

    Science.gov (United States)

    Razali, Azhani Mohd; Abdullah, Jaafar

    2015-04-01

    Single Photon Emission Computed Tomography (SPECT) is a well-known imaging technique used in medical application, and it is part of medical imaging modalities that made the diagnosis and treatment of disease possible. However, SPECT technique is not only limited to the medical sector. Many works are carried out to adapt the same concept by using high-energy photon emission to diagnose process malfunctions in critical industrial systems such as in chemical reaction engineering research laboratories, as well as in oil and gas, petrochemical and petrochemical refining industries. Motivated by vast applications of SPECT technique, this work attempts to study the application of SPECT on a Pebble Bed Reactor (PBR) using numerical phantom of pebbles inside the PBR core. From the cross-sectional images obtained from SPECT, the behavior of pebbles inside the core can be analyzed for further improvement of the PBR design. As the quality of the reconstructed image is largely dependent on the algorithm used, this work aims to compare two image reconstruction algorithms for SPECT, namely the Expectation Maximization Algorithm and the Exact Inversion Formula. The results obtained from the Exact Inversion Formula showed better image contrast and sharpness, and shorter computational time compared to the Expectation Maximization Algorithm.

  11. An efficient method to calculate excitation energy transfer in light-harvesting systems: application to the Fenna-Matthews-Olson complex

    International Nuclear Information System (INIS)

    Ritschel, Gerhard; Roden, Jan; Eisfeld, Alexander; Strunz, Walter T

    2011-01-01

    A master equation derived from non-Markovian quantum state diffusion is used to calculate the excitation energy transfer in the photosynthetic Fenna-Matthews-Olson pigment-protein complex at various temperatures. This approach allows us to treat spectral densities that explicitly contain the coupling to internal vibrational modes of the chromophores. Moreover, the method is very efficient and as a result the transfer dynamics can be calculated within about 1 min on a standard PC, making systematic investigations w.r.t. parameter variations tractable. After demonstrating that our approach is able to reproduce the results of the numerically exact hierarchical equations of motion approach, we show how the inclusion of vibrational modes influences the transfer. (paper)

  12. Hybrid method for determining the parameters of condenser microphones from measured membrane velocities and numerical calculations

    DEFF Research Database (Denmark)

    Barrera Figueroa, Salvador; Rasmussen, Knud; Jacobsen, Finn

    2009-01-01

    to this problem is to measure the velocity distribution of the membrane by means of a non-contact method, such as laser vibrometry. The measured velocity distribution can be used together with a numerical formulation such as the boundary element method for estimating the microphone response and other parameters......, e.g., the acoustic center. In this work, such a hybrid method is presented and examined. The velocity distributions of a number of condenser microphones have been determined using a laser vibrometer, and these measured velocity distributions have been used for estimating microphone responses......Typically, numerical calculations of the pressure, free-field, and random-incidence response of a condenser microphone are carried out on the basis of an assumed displacement distribution of the diaphragm of the microphone; the conventional assumption is that the displacement follows a Bessel...

  13. Numerical studies of the Bethe-Salpeter equation for a two-fermion bound state

    Science.gov (United States)

    de Paula, W.; Frederico, T.; Salmè, G.; Viviani, M.

    2018-03-01

    Some recent advances on the solution of the Bethe-Salpeter equation (BSE) for a two-fermion bound system directly in Minkowski space are presented. The calculations are based on the expression of the Bethe-Salpeter amplitude in terms of the so-called Nakanishi integral representation and on the light-front projection (i.e. the integration of the light-front variable k - = k 0 - k 3). The latter technique allows for the analytically exact treatment of the singularities plaguing the two-fermion BSE in Minkowski space. The good agreement observed between our results and those obtained using other existing numerical methods, based on both Minkowski and Euclidean space techniques, fully corroborate our analytical treatment.

  14. Calculation of temperature rise for cable conductor of DCS cabinet power based on theory of numerical thermal transfer

    International Nuclear Information System (INIS)

    Tian Yong; Zhang Longqiang; Yang Zhen; Yu Bin

    2014-01-01

    In order to ensure a long-term reliable operation of the DCS cabinet's 220 V AC power cable, it was needed to confirm whether the conductor temperature rise of power cable meet the requirement of the cable specification. Based on the actual data in site and the theory of numerical heat transfer, conservative model was established, and the conductor temperature was calculated. The calculation results show that the cable arrangement on the cable tray will not lead to the conductor temperature rise of power cable over than the required temperature in technical specification. (authors)

  15. Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries.

    Science.gov (United States)

    Sun, Qiming; Chan, Garnet Kin-Lic

    2014-09-09

    Motivated by recent work in density matrix embedding theory, we define exact link orbitals that capture all quantum mechanical (QM) effects across arbitrary quantum mechanics/molecular mechanics (QM/MM) boundaries. Exact link orbitals are rigorously defined from the full QM solution, and their number is equal to the number of orbitals in the primary QM region. Truncating the exact set yields a smaller set of link orbitals optimal with respect to reproducing the primary region density matrix. We use the optimal link orbitals to obtain insight into the limits of QM/MM boundary treatments. We further analyze the popular general hybrid orbital (GHO) QM/MM boundary across a test suite of molecules. We find that GHOs are often good proxies for the most important optimal link orbital, although there is little detailed correlation between the detailed GHO composition and optimal link orbital valence weights. The optimal theory shows that anions and cations cannot be described by a single link orbital. However, expanding to include the second most important optimal link orbital in the boundary recovers an accurate description. The second optimal link orbital takes the chemically intuitive form of a donor or acceptor orbital for charge redistribution, suggesting that optimal link orbitals can be used as interpretative tools for electron transfer. We further find that two optimal link orbitals are also sufficient for boundaries that cut across double bonds. Finally, we suggest how to construct "approximately" optimal link orbitals for practical QM/MM calculations.

  16. Exact solution for four-order acousto-optic Bragg diffraction with arbitrary initial conditions.

    Science.gov (United States)

    Pieper, Ron; Koslover, Deborah; Poon, Ting-Chung

    2009-03-01

    An exact solution to the four-order acousto-optic (AO) Bragg diffraction problem with arbitrary initial conditions compatible with exact Bragg angle incident light is developed. The solution, obtained by solving a 4th-order differential equation, is formalized into a transition matrix operator predicting diffracted light orders at the exit of the AO cell in terms of the same diffracted light orders at the entrance. It is shown that the transition matrix is unitary and that this unitary matrix condition is sufficient to guarantee energy conservation. A comparison of analytical solutions with numerical predictions validates the formalism. Although not directly related to the approach used to obtain the solution, it was discovered that all four generated eigenvalues from the four-order AO differential matrix operator are expressed simply in terms of Euclid's Divine Proportion.

  17. Homoclinic orbits around spinning black holes. I. Exact solution for the Kerr separatrix

    International Nuclear Information System (INIS)

    Levin, Janna; Perez-Giz, Gabe

    2009-01-01

    For equatorial Kerr orbits, we show that each separatrix between bound and plunging geodesics is a homoclinic orbit--an orbit that asymptotes to an energetically-bound, unstable circular orbit. We derive exact expressions for these trajectories in terms of elementary functions. We also clarify the formal connection between the separatrix and zoom-whirl orbits and show that, contrary to popular belief, zoom-whirl behavior is not intrinsically a near-separatrix phenomenon. This paper focuses on homoclinic behavior in physical space, while in a companion paper we paint the complementary phase space portrait. Although they refer to geodesic motion, the exact solutions for the Kerr separatrix could be useful for analytic or numerical studies of eccentric transitions from orbital to plunging motion under the dissipative effects of gravitational radiation.

  18. Development of numerical methods to calculate the propagation and the absorption of the hybrid wave in tokamaks

    International Nuclear Information System (INIS)

    Sebelin, E.

    1997-01-01

    Full-wave calculations based on trial functions are carried out for solving the lower hybrid current drive problem in tokamaks. A variational method is developed and provides an efficient system to describe in a global manner both the propagation and the absorption of the electromagnetic waves in plasmas. The calculation is fully carried out in the case of circular and concentric flux surfaces. The existence and uniqueness of the solution of the wave propagation equation is mathematically proved. The first realistic simulations are performed for the high aspect ratio tokamak TRIAM-1M. It is checked that the main features of the lower-hybrid wave dynamics are well described numerically. (A.C.)

  19. Calculations of the electromechanical transfer processes using implicit methods of numerical integration

    Energy Technology Data Exchange (ETDEWEB)

    Pogosyan, T A

    1983-01-01

    The article is dedicated to the solution of systems of differential equations which describe the transfer processes in an electric power system (EES) by implicit methods of numerical integration. The distinguishing feature of the implicit methods (Euler's reverse method and the trapeze method) is their absolute stability and, consequently, the relatively small accumulation of errors in each step of integration. Therefore, they are found to be very convenient for solving problems of electric power engineering, when the transfer processes are described by a rigid system of differential equations. The rigidity is associated with the range of values of the time constants considered. The advantage of the implicit methods over explicit are shown in a specific example (calculation of the dynamic stability of the simplest electric power system), along with the field of use of the implicit methods and the expedience of their use in power engineering problems.

  20. About simple nonlinear and linear superpositions of special exact solutions of Veselov-Novikov equation

    Energy Technology Data Exchange (ETDEWEB)

    Dubrovsky, V. G.; Topovsky, A. V. [Novosibirsk State Technical University, Karl Marx prosp. 20, Novosibirsk 630092 (Russian Federation)

    2013-03-15

    New exact solutions, nonstationary and stationary, of Veselov-Novikov (VN) equation in the forms of simple nonlinear and linear superpositions of arbitrary number N of exact special solutions u{sup (n)}, n= 1, Horizontal-Ellipsis , N are constructed via Zakharov and Manakov {partial_derivative}-dressing method. Simple nonlinear superpositions are represented up to a constant by the sums of solutions u{sup (n)} and calculated by {partial_derivative}-dressing on nonzero energy level of the first auxiliary linear problem, i.e., 2D stationary Schroedinger equation. It is remarkable that in the zero energy limit simple nonlinear superpositions convert to linear ones in the form of the sums of special solutions u{sup (n)}. It is shown that the sums u=u{sup (k{sub 1})}+...+u{sup (k{sub m})}, 1 Less-Than-Or-Slanted-Equal-To k{sub 1} < k{sub 2} < Horizontal-Ellipsis < k{sub m} Less-Than-Or-Slanted-Equal-To N of arbitrary subsets of these solutions are also exact solutions of VN equation. The presented exact solutions include as superpositions of special line solitons and also superpositions of plane wave type singular periodic solutions. By construction these exact solutions represent also new exact transparent potentials of 2D stationary Schroedinger equation and can serve as model potentials for electrons in planar structures of modern electronics.

  1. Pade approximant calculations for neutron escape probability

    International Nuclear Information System (INIS)

    El Wakil, S.A.; Saad, E.A.; Hendi, A.A.

    1984-07-01

    The neutron escape probability from a non-multiplying slab containing internal source is defined in terms of a functional relation for the scattering function for the diffuse reflection problem. The Pade approximant technique is used to get numerical results which compare with exact results. (author)

  2. Long-term stable time integration scheme for dynamic analysis of planar geometrically exact Timoshenko beams

    Science.gov (United States)

    Nguyen, Tien Long; Sansour, Carlo; Hjiaj, Mohammed

    2017-05-01

    In this paper, an energy-momentum method for geometrically exact Timoshenko-type beam is proposed. The classical time integration schemes in dynamics are known to exhibit instability in the non-linear regime. The so-called Timoshenko-type beam with the use of rotational degree of freedom leads to simpler strain relations and simpler expressions of the inertial terms as compared to the well known Bernoulli-type model. The treatment of the Bernoulli-model has been recently addressed by the authors. In this present work, we extend our approach of using the strain rates to define the strain fields to in-plane geometrically exact Timoshenko-type beams. The large rotational degrees of freedom are exactly computed. The well-known enhanced strain method is used to avoid locking phenomena. Conservation of energy, momentum and angular momentum is proved formally and numerically. The excellent performance of the formulation will be demonstrated through a range of examples.

  3. Numerical method for two-phase flow discontinuity propagation calculation

    International Nuclear Information System (INIS)

    Toumi, I.; Raymond, P.

    1989-01-01

    In this paper, we present a class of numerical shock-capturing schemes for hyperbolic systems of conservation laws modelling two-phase flow. First, we solve the Riemann problem for a two-phase flow with unequal velocities. Then, we construct two approximate Riemann solvers: an one intermediate-state Riemann solver and a generalized Roe's approximate Riemann solver. We give some numerical results for one-dimensional shock-tube problems and for a standard two-phase flow heat addition problem involving two-phase flow instabilities

  4. Numerical calculation of backfilling of scour holes

    DEFF Research Database (Denmark)

    Sumer, B. Mutlu; Baykal, Cüneyt; Fuhrman, David R.

    2014-01-01

    A fully-coupled hydrodynamic and morphologic CFD model is presented for simulating backfilling processes around structures. The hydrodynamic model is based on Reynolds-averaged Navier-Stokes equations, coupled with two-equation k-ω turbulence closure. The sediment transport model consists of sepa...... of structures: piles, and pipelines. Initial scour holes are generated by the same model. The numerical results appear to be in accord with the existing experimental information....

  5. AESS: Accelerated Exact Stochastic Simulation

    Science.gov (United States)

    Jenkins, David D.; Peterson, Gregory D.

    2011-12-01

    The Stochastic Simulation Algorithm (SSA) developed by Gillespie provides a powerful mechanism for exploring the behavior of chemical systems with small species populations or with important noise contributions. Gene circuit simulations for systems biology commonly employ the SSA method, as do ecological applications. This algorithm tends to be computationally expensive, so researchers seek an efficient implementation of SSA. In this program package, the Accelerated Exact Stochastic Simulation Algorithm (AESS) contains optimized implementations of Gillespie's SSA that improve the performance of individual simulation runs or ensembles of simulations used for sweeping parameters or to provide statistically significant results. Program summaryProgram title: AESS Catalogue identifier: AEJW_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJW_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: University of Tennessee copyright agreement No. of lines in distributed program, including test data, etc.: 10 861 No. of bytes in distributed program, including test data, etc.: 394 631 Distribution format: tar.gz Programming language: C for processors, CUDA for NVIDIA GPUs Computer: Developed and tested on various x86 computers and NVIDIA C1060 Tesla and GTX 480 Fermi GPUs. The system targets x86 workstations, optionally with multicore processors or NVIDIA GPUs as accelerators. Operating system: Tested under Ubuntu Linux OS and CentOS 5.5 Linux OS Classification: 3, 16.12 Nature of problem: Simulation of chemical systems, particularly with low species populations, can be accurately performed using Gillespie's method of stochastic simulation. Numerous variations on the original stochastic simulation algorithm have been developed, including approaches that produce results with statistics that exactly match the chemical master equation (CME) as well as other approaches that approximate the CME. Solution

  6. A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

    Directory of Open Access Journals (Sweden)

    M. T. Johnson

    2010-10-01

    Full Text Available The ocean-atmosphere flux of a gas can be calculated from its measured or estimated concentration gradient across the air-sea interface and the transfer velocity (a term representing the conductivity of the layers either side of the interface with respect to the gas of interest. Traditionally the transfer velocity has been estimated from empirical relationships with wind speed, and then scaled by the Schmidt number of the gas being transferred. Complex, physically based models of transfer velocity (based on more physical forcings than wind speed alone, such as the NOAA COARE algorithm, have more recently been applied to well-studied gases such as carbon dioxide and DMS (although many studies still use the simpler approach for these gases, but there is a lack of validation of such schemes for other, more poorly studied gases. The aim of this paper is to provide a flexible numerical scheme which will allow the estimation of transfer velocity for any gas as a function of wind speed, temperature and salinity, given data on the solubility and liquid molar volume of the particular gas. New and existing parameterizations (including a novel empirical parameterization of the salinity-dependence of Henry's law solubility are brought together into a scheme implemented as a modular, extensible program in the R computing environment which is available in the supplementary online material accompanying this paper; along with input files containing solubility and structural data for ~90 gases of general interest, enabling the calculation of their total transfer velocities and component parameters. Comparison of the scheme presented here with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general. It is intended that the various components of this numerical scheme should be applied only in the absence of experimental data providing robust values for parameters for a particular gas of interest.

  7. A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

    Science.gov (United States)

    Johnson, M. T.

    2010-10-01

    The ocean-atmosphere flux of a gas can be calculated from its measured or estimated concentration gradient across the air-sea interface and the transfer velocity (a term representing the conductivity of the layers either side of the interface with respect to the gas of interest). Traditionally the transfer velocity has been estimated from empirical relationships with wind speed, and then scaled by the Schmidt number of the gas being transferred. Complex, physically based models of transfer velocity (based on more physical forcings than wind speed alone), such as the NOAA COARE algorithm, have more recently been applied to well-studied gases such as carbon dioxide and DMS (although many studies still use the simpler approach for these gases), but there is a lack of validation of such schemes for other, more poorly studied gases. The aim of this paper is to provide a flexible numerical scheme which will allow the estimation of transfer velocity for any gas as a function of wind speed, temperature and salinity, given data on the solubility and liquid molar volume of the particular gas. New and existing parameterizations (including a novel empirical parameterization of the salinity-dependence of Henry's law solubility) are brought together into a scheme implemented as a modular, extensible program in the R computing environment which is available in the supplementary online material accompanying this paper; along with input files containing solubility and structural data for ~90 gases of general interest, enabling the calculation of their total transfer velocities and component parameters. Comparison of the scheme presented here with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general. It is intended that the various components of this numerical scheme should be applied only in the absence of experimental data providing robust values for parameters for a particular gas of interest.

  8. Power calculations using exact data simulation: A useful tool for genetic study designs

    NARCIS (Netherlands)

    van der Sluis, S.; Dolan, C.V.; Neale, M.C.; Posthuma, D.

    2008-01-01

    Statistical power calculations constitute an essential first step in the planning of scientific studies. If sufficient summary statistics are available, power calculations are in principle straightforward and computationally light. In designs, which comprise distinct groups (e.g., MZ & DZ twins),

  9. Development of numerical concepts

    Directory of Open Access Journals (Sweden)

    Sabine Peucker

    2013-06-01

    Full Text Available The development of numerical concepts is described from infancy to preschool age. Infants a few days old exhibit an early sensitivity for numerosities. In the course of development, nonverbal mental models allow for the exact representation of small quantities as well as changes in these quantities. Subitising, as the accurate recognition of small numerosities (without counting, plays an important role. It can be assumed that numerical concepts and procedures start with insights about small numerosities. Protoquantitative schemata comprise fundamental knowledge about quantities. One-to-one-correspondence connects elements and numbers, and, for this reason, both quantitative and numerical knowledge. If children understand that they can determine the numerosity of a collection of elements by enumerating the elements, they have acquired the concept of cardinality. Protoquantitative knowledge becomes quantitative if it can be applied to numerosities and sequential numbers. The concepts of cardinality and part-part-whole are key to numerical development. Developmentally appropriate learning and teaching should focus on cardinality and part-part-whole concepts.

  10. An Exact, Compressible One-Dimensional Riemann Solver for General, Convex Equations of State

    Energy Technology Data Exchange (ETDEWEB)

    Kamm, James Russell [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-03-05

    This note describes an algorithm with which to compute numerical solutions to the one- dimensional, Cartesian Riemann problem for compressible flow with general, convex equations of state. While high-level descriptions of this approach are to be found in the literature, this note contains most of the necessary details required to write software for this problem. This explanation corresponds to the approach used in the source code that evaluates solutions for the 1D, Cartesian Riemann problem with a JWL equation of state in the ExactPack package [16, 29]. Numerical examples are given with the proposed computational approach for a polytropic equation of state and for the JWL equation of state.

  11. Numerical calculation of particle collection efficiency in an ...

    Indian Academy of Sciences (India)

    Theoretical and numerical research has been previously done on ESPs to predict the efficiency ... Lagrangian simulations of particle transport in wire–plate ESP were .... The collection efficiency can be defined as the ratio of the number of ...

  12. Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions

    International Nuclear Information System (INIS)

    Havu, V.; Blum, V.; Havu, P.; Scheffler, M.

    2009-01-01

    We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.

  13. One-group transport theory calculation for three slabs cells

    International Nuclear Information System (INIS)

    Maia, C.R.M.

    1979-01-01

    As an idealized model of plate type fuel assemblies for nuclear reactors, three-slab cells are analysed numerically based on the exact solution of the transport equation in the one-group isotropic scattering model. From the equations describing the interface conditions, a set of regular integral equations for the coefficients of the singular eigenfunctions expansions is derived using the half-range orthogonality relations of the eigenfunctions and the recently developed method of regularization. Numerical solutions are obtained by solving this set of equations iteratively. The thermal utilization factor and thermal disadvantage factors as well as flux and current distributions are reported for the first time for various sets of parameters. The accuracy of the P sub(N) approximations is also analysed compared to the exact results. (Author) [pt

  14. Exact quantization conditions for the relativistic Toda lattice

    International Nuclear Information System (INIS)

    Hatsuda, Yasuyuki; Mariño, Marcos

    2016-01-01

    Inspired by recent connections between spectral theory and topological string theory, we propose exact quantization conditions for the relativistic Toda lattice of N particles. These conditions involve the Nekrasov-Shatashvili free energy, which resums the perturbative WKB expansion, but they require in addition a non-perturbative contribution, which is related to the perturbative result by an S-duality transformation of the Planck constant. We test the quantization conditions against explicit calculations of the spectrum for N=3. Our proposal can be generalized to arbitrary toric Calabi-Yau manifolds and might solve the corresponding quantum integrable system of Goncharov and Kenyon.

  15. An exact and consistent adjoint method for high-fidelity discretization of the compressible flow equations

    Science.gov (United States)

    Subramanian, Ramanathan Vishnampet Ganapathi

    Methods and computing hardware advances have enabled accurate predictions of complex compressible turbulence phenomena, such as the generation of jet noise that motivates the present effort. However, limited understanding of underlying physical mechanisms restricts the utility of such predictions since they do not, by themselves, indicate a route to design improvement. Gradient-based optimization using adjoints can circumvent the flow complexity to guide designs. Such methods have enabled sensitivity analysis and active control of turbulence at engineering flow conditions by providing gradient information at computational cost comparable to that of simulating the flow. They accelerate convergence of numerical design optimization algorithms, though this is predicated on the availability of an accurate gradient of the discretized flow equations. This is challenging to obtain, since both the chaotic character of the turbulence and the typical use of discretizations near their resolution limits in order to efficiently represent its smaller scales will amplify any approximation errors made in the adjoint formulation. Formulating a practical exact adjoint that avoids such errors is especially challenging if it is to be compatible with state-of-the-art simulation methods used for the turbulent flow itself. Automatic differentiation (AD) can provide code to calculate a nominally exact adjoint, but existing general-purpose AD codes are inefficient to the point of being prohibitive for large-scale turbulence simulations. We analyze the compressible flow equations as discretized using the same high-order workhorse methods used for many high-fidelity compressible turbulence simulations, and formulate a practical space--time discrete-adjoint method without changing the basic discretization. A key step is the definition of a particular discrete analog of the continuous norm that defines our cost functional; our selection leads directly to an efficient Runge--Kutta-like scheme

  16. Analytic and numerical calculations of quantum synchrotron spectra from relativistic electron distributions

    International Nuclear Information System (INIS)

    Brainerd, J.J.; Petrosian, V.

    1987-01-01

    Calculations are performed numerically and analytically of synchrotron spectra for thermal and power-law electron distributions using the single-particle synchrotron power spectrum derived from quantum electrodynamics. It is found that the photon energy at which quantum effects appear is proportional to temperature and independent of field strength for thermal spectra; quantum effects introduce an exponential roll-off away from the classical spectra. For power law spectra, the photon energy at which quantum effects appear is inversely proportional to the magnetic field strength; quantum effects produce a steeper power law than is found classically. The results are compared with spectra derived from the classical power spectrum with an energy cutoff ensuring conservation of energy. It is found that an energy cutoff is generally an inadequate approximation of quantum effects for low photon energies and for thermal spectra, but gives reasonable results for high-energy emission from power-law electron distributions. 17 references

  17. Numerical calculation of electromagnetic properties including chirality parameters for uniaxial bianisotropic media

    International Nuclear Information System (INIS)

    Amirkhizi, Alireza V; Nemat-Nasser, Sia

    2008-01-01

    Through the use of conductive straight wires or coils the electromagnetic properties of a composite material can be modified. The asymmetric geometry of the coils creates an overall chiral response. The polarization vectors rotate as an electromagnetic wave travels through such a medium. To calculate the chirality of a medium prior to its manufacturing, we developed a method to extract all four electromagnetic material parameter tensors for a general uniaxial bianisotropic composite based on the numerical simulation of the electromagnetic fields. Our method uses appropriate line and surface field averages in a single unit cell of the periodic structure of the composite material. These overall field quantities have physical meaning only when the microscopic variation of the electromagnetic fields in the scale of the unit cell is not important, that is when the wavelength of interest is significantly larger than the maximum linear dimension of the unit cell. The overall constitutive relations of the periodic structure can then be obtained from the relations among the average quantities

  18. Exact calculations of survival probability for diffusion on growing lines, disks, and spheres: The role of dimension.

    Science.gov (United States)

    Simpson, Matthew J; Baker, Ruth E

    2015-09-07

    Unlike standard applications of transport theory, the transport of molecules and cells during embryonic development often takes place within growing multidimensional tissues. In this work, we consider a model of diffusion on uniformly growing lines, disks, and spheres. An exact solution of the partial differential equation governing the diffusion of a population of individuals on the growing domain is derived. Using this solution, we study the survival probability, S(t). For the standard non-growing case with an absorbing boundary, we observe that S(t) decays to zero in the long time limit. In contrast, when the domain grows linearly or exponentially with time, we show that S(t) decays to a constant, positive value, indicating that a proportion of the diffusing substance remains on the growing domain indefinitely. Comparing S(t) for diffusion on lines, disks, and spheres indicates that there are minimal differences in S(t) in the limit of zero growth and minimal differences in S(t) in the limit of fast growth. In contrast, for intermediate growth rates, we observe modest differences in S(t) between different geometries. These differences can be quantified by evaluating the exact expressions derived and presented here.

  19. Exact piecewise flat gravitational waves

    NARCIS (Netherlands)

    van de Meent, M.

    2011-01-01

    We generalize our previous linear result (van de Meent 2011 Class. Quantum Grav 28 075005) in obtaining gravitational waves from our piecewise flat model for gravity in 3+1 dimensions to exact piecewise flat configurations describing exact planar gravitational waves. We show explicitly how to

  20. An exact formula to describe the amplification process in a photomultiplier tube

    International Nuclear Information System (INIS)

    Rademacker, Jonas

    2002-01-01

    An analytical function is derived that exactly describes the amplification process due to a series of discrete, Poisson-like amplifications like those in a photo multiplier tube (PMT). A numerical recipe is provided that implements this function as a computer program. It is shown how the program can be used as the core element of a faster, simplified routine to fit PMT spectra with high efficiency. The functionality of the method is demonstrated by fitting both, Monte Carlo generated and measured PMT spectra

  1. Quasi-integrable non-linear Schrödinger models, infinite towers of exactly conserved charges and bright solitons

    Science.gov (United States)

    Blas, H.; do Bonfim, A. C. R.; Vilela, A. M.

    2017-05-01

    Deformations of the focusing non-linear Schrödinger model (NLS) are considered in the context of the quasi-integrability concept. We strengthen the results of JHEP 09 (2012) 103 10.1007/JHEP06(2015)177" TargetType="URL"/> for bright soliton collisions. We addressed the focusing NLS as a complement to the one in JHEP 03 (2016) 005 10.1007/JHEP06(2015)177" TargetType="URL"/> , in which the modified defocusing NLS models with dark solitons were shown to exhibit an infinite tower of exactly conserved charges. We show, by means of analytical and numerical methods, that for certain two-bright-soliton solutions, in which the modulus and phase of the complex modified NLS field exhibit even parities under a space-reflection symmetry, the first four and the sequence of even order charges are exactly conserved during the scattering process of the solitons. We perform extensive numerical simulations and consider the bright solitons with deformed potential V=2η /2+\\upepsilon{({|ψ |}^2)}^{2+\\upepsilon},\\upepsilon \\in \\mathbb{R},η <0 . However, for two-soliton field components without definite parity we also show numerically the vanishing of the first non-trivial anomaly and the exact conservation of the relevant charge. So, the parity symmetry seems to be a sufficient but not a necessary condition for the existence of the infinite tower of conserved charges. The model supports elastic scattering of solitons for a wide range of values of the amplitudes and velocities and the set { η, ɛ}. Since the NLS equation is ubiquitous, our results may find potential applications in several areas of non-linear science.

  2. Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.

    Science.gov (United States)

    Liu, Xinzijian; Liu, Jian

    2018-03-14

    An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent progress on path integral molecular dynamics (PIMD), Liu et al. [J. Chem. Phys. 145, 024103 (2016)] and Zhang et al. [J. Chem. Phys. 147, 034109 (2017)], for quantum statistical mechanics when a single potential energy surface is involved. We first define an effective potential function that is numerically favorable for MES-PIMD and then derive corresponding estimators in MES-PIMD for evaluating various physical properties. Its application to several representative one-dimensional and multi-dimensional models demonstrates that MES-PIMD in principle offers a practical tool in either of the diabatic and adiabatic representations for studying exact quantum statistics of complex/large MES systems when the Born-Oppenheimer approximation, Condon approximation, and harmonic bath approximation are broken.

  3. Exact solitary waves of the Fisher equation

    International Nuclear Information System (INIS)

    Kudryashov, Nikolai A.

    2005-01-01

    New method is presented to search exact solutions of nonlinear differential equations. This approach is used to look for exact solutions of the Fisher equation. New exact solitary waves of the Fisher equation are given

  4. An Exact Formula for Calculating Inverse Radial Lens Distortions

    Directory of Open Access Journals (Sweden)

    Pierre Drap

    2016-06-01

    Full Text Available This article presents a new approach to calculating the inverse of radial distortions. The method presented here provides a model of reverse radial distortion, currently modeled by a polynomial expression, that proposes another polynomial expression where the new coefficients are a function of the original ones. After describing the state of the art, the proposed method is developed. It is based on a formal calculus involving a power series used to deduce a recursive formula for the new coefficients. We present several implementations of this method and describe the experiments conducted to assess the validity of the new approach. Such an approach, non-iterative, using another polynomial expression, able to be deduced from the first one, can actually be interesting in terms of performance, reuse of existing software, or bridging between different existing software tools that do not consider distortion from the same point of view.

  5. Exact analysis of the response of quantum systems to two-photons using a QSDE approach

    International Nuclear Information System (INIS)

    Pan, Yu; Dong, Daoyi; Zhang, Guofeng

    2016-01-01

    We introduce the quantum stochastic differential equation (QSDE) approach to exactly analyze the response of quantum systems to a continuous-mode two-photon input. The QSDE description of the two-photon process allows us to integrate the input–output analysis with the quantum network theory, and so the analytical computability of the output state of a general quantum system can be addressed within this framework. We show that the time-domain two-photon output states can be exactly calculated for a large class of quantum systems including passive linear networks, optomechanical oscillators and two-level emitter in waveguide systems. In particular, we propose to utilise the results for the exact simulation of the stimulated emission as well as the study of the scattering of two-mode photon wave packets. (paper)

  6. Application of numerical method in calculating the internal rate of return of joint venture investment using diminishing musyarakah model

    Science.gov (United States)

    Ruslan, Siti Zaharah Mohd; Jaffar, Maheran Mohd

    2017-05-01

    Islamic banking in Malaysia offers variety of products based on Islamic principles. One of the concepts is a diminishing musyarakah. The concept of diminishing musyarakah helps Muslims to avoid transaction which are based on riba. The diminishing musyarakah can be defined as an agreement between capital provider and entrepreneurs that enable entrepreneurs to buy equity in instalments where profits and losses are shared based on agreed ratio. The objective of this paper is to determine the internal rate of return (IRR) for a diminishing musyarakah model by applying a numerical method. There are several numerical methods in calculating the IRR such as by using an interpolation method and a trial and error method by using Microsoft Office Excel. In this paper we use a bisection method and secant method as an alternative way in calculating the IRR. It was found that the diminishing musyarakah model can be adapted in managing the performance of joint venture investments. Therefore, this paper will encourage more companies to use the concept of joint venture in managing their investments performance.

  7. Exact Closed-form Solutions for Lamb's Problem

    Science.gov (United States)

    Feng, X.

    2017-12-01

    In this work, we report on an exact closedform solution for the displacement at the surfaceof an elastic halfspace elicited by a buried point source that acts at some point underneath thatsurface. This is commonly referred to as the 3D Lamb's problem, for which previous solutionswere restricted to sources and receivers placed at the free surface. By means of the reciprocitytheorem, our solution should also be valid as a means to obtain the displacements at interior pointswhen the source is placed at the free surface. We manage to obtain explicit results by expressingthe solution in terms of elementary algebraic expression as well as elliptic integrals. We anchorour developments on Poissons ratio 0.25 starting from Johnson's numerical, integral transformsolutions. Furthermore, the spatial derivatives of our solutions can be easily acquired in termsof our methods. In the end, our closed-form results agree perfectly with the numerical results ofJohnson, which strongly conrms the correctness of our explicit formulas. It is hoped that in duetime, these formulas may constitute a valuable canonical solution that will serve as a yardstickagainst which other numerical solutions can be compared and measured.In addition, we abstract some terms from our solutions as the generator of the Rayleigh waves.Some basic properties of the Rayleigh waves in the time domain will be indicated in terms of thegenerator. The fareld radiation patterns of P-wave and S-wave elicited by the double-couple forcein the uniform half-space medium could also be acquired from our results.

  8. BOKASUN: A fast and precise numerical program to calculate the Master Integrals of the two-loop sunrise diagrams

    Science.gov (United States)

    Caffo, Michele; Czyż, Henryk; Gunia, Michał; Remiddi, Ettore

    2009-03-01

    We present the program BOKASUN for fast and precise evaluation of the Master Integrals of the two-loop self-mass sunrise diagram for arbitrary values of the internal masses and the external four-momentum. We use a combination of two methods: a Bernoulli accelerated series expansion and a Runge-Kutta numerical solution of a system of linear differential equations. Program summaryProgram title: BOKASUN Catalogue identifier: AECG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECG_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.: 9404 No. of bytes in distributed program, including test data, etc.: 104 123 Distribution format: tar.gz Programming language: FORTRAN77 Computer: Any computer with a Fortran compiler accepting FORTRAN77 standard. Tested on various PC's with LINUX Operating system: LINUX RAM: 120 kbytes Classification: 4.4 Nature of problem: Any integral arising in the evaluation of the two-loop sunrise Feynman diagram can be expressed in terms of a given set of Master Integrals, which should be calculated numerically. The program provides a fast and precise evaluation method of the Master Integrals for arbitrary (but not vanishing) masses and arbitrary value of the external momentum. Solution method: The integrals depend on three internal masses and the external momentum squared p. The method is a combination of an accelerated expansion in 1/p in its (pretty large!) region of fast convergence and of a Runge-Kutta numerical solution of a system of linear differential equations. Running time: To obtain 4 Master Integrals on PC with 2 GHz processor it takes 3 μs for series expansion with pre-calculated coefficients, 80 μs for series expansion without pre-calculated coefficients, from a few seconds up to a few minutes for Runge-Kutta method (depending

  9. Development of Calculation Algorithm for ECCS Kinematic Shock

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung-Chan; Yoon, Duk-Joo; Ha, Sang-Jun [KHNP-CRI, Daejeon (Korea, Republic of)

    2014-10-15

    The void fraction of inverted U-pipes in front of SI(Safety Injection) pumps impact on the pipe system of ECCS(Emergency Core Cooling Systems). This phenomena is called as 'Kinematic Shock'. The purpose of this paper is to achieve the more exactly calculation when the kinematic shock is calculated by simplified equation. The behavior of the void packet of the ECCS pipes is illustrated by the simplified (other name is kinematic shock equation).. The kinematic shock is defined as the depth of total length of void clusters in the pipes of ECCS when the void cluster is continually reached along the part of pipes in vertical direction. In this paper, the simplified equation is evaluated by comparing calculation error each other.]. The more exact methods of calculating the depth of the kinematic shock in ECCS is achieved. The error of kinematic shock calculation is strongly depended on the calculation search gap and the order of Taylor's expansion. From this study, to select the suitable search gap and the suitable calculation order, differential root method, secant method, and Taylor's expansion form are compared one another.

  10. Time dependent AN neutron transport calculations in finite media using a numerical inverse Laplace transform technique

    International Nuclear Information System (INIS)

    Ganapol, B.D.; Sumini, M.

    1990-01-01

    The time dependent space second order discrete form of the monokinetic transport equation is given an analytical solution, within the Laplace transform domain. Th A n dynamic model is presented and the general resolution procedure is worked out. The solution in the time domain is then obtained through the application of a numerical transform inversion technique. The justification of the research relies in the need to produce reliable and physically meaningful transport benchmarks for dynamic calculations. The paper is concluded by a few results followed by some physical comments

  11. An Exact Solution of The Neutron Slowing Down Equation

    Energy Technology Data Exchange (ETDEWEB)

    Stefanovic, D [Boris Kidric Vinca Institute of Nuclear Sciences, Vinca, Belgrade (Yugoslavia)

    1970-07-01

    The slowing down equation for an infinite homogeneous monoatomic medium is solved exactly. The cross sections depend on neutron energy. The solution is given in analytical form within each of the lethargy intervals. This analytical form is the sum of probabilities which are given by the Green functions. The calculated collision density is compared with the one obtained by Bednarz and also with an approximate Wigner formula for the case of a resonance not wider than one collision interval. For the special case of hydrogen, the present solution reduces to Bethe's solution. (author)

  12. On the calculation of the water particle kinematics arising in a directionally spread wavefield

    CERN Document Server

    Bateman, W J D; Taylor, P H

    2003-01-01

    This paper concerns the calculation of the water particle kinematics generated by the propagation of surface gravity waves. The motivation for this work lies in recent advances in the description of the water surface elevation associated with extreme waves that are highly nonlinear and involve a spread of wave energy in both frequency and direction. To provide these exact numerical descriptions the nonlinear free-surface boundary conditions are time-marched, with the most efficient solutions simply based upon the water surface elevation, eta, and the velocity potential, phi, on that surface. In many broad-banded problems, computational efficiency is not merely desirable but absolutely essential to resolve the complex interactions between wave components with widely varying length-scales and different directions of propagation. Although such models have recently been developed, the calculation of the underlying water particle kinematics, based on the surface properties alone, remains a significant obstacle to ...

  13. CONDITIONS FOR EXACT CAVALIERI ESTIMATION

    Directory of Open Access Journals (Sweden)

    Mónica Tinajero-Bravo

    2014-03-01

    Full Text Available Exact Cavalieri estimation amounts to zero variance estimation of an integral with systematic observations along a sampling axis. A sufficient condition is given, both in the continuous and the discrete cases, for exact Cavalieri sampling. The conclusions suggest improvements on the current stereological application of fractionator-type sampling.

  14. Exponential and Bessel fitting methods for the numerical solution of the Schroedinger equation

    International Nuclear Information System (INIS)

    Raptis, A.D.; Cash, J.R.

    1987-01-01

    A new method is developed for the numerical integration of the one dimensional radial Schroedinger equation. This method involves using different integration formulae in different parts of the range of integration rather than using the same integration formula throughout. Two new integration formulae are derived, one which integrates Bessel and Neumann functions exactly and another which exactly integrates certain exponential functions. It is shown that, for large r, these new formulae are much more accurate than standard integration methods for the Schroedinger equation. The benefit of using this new approach is demonstrated by considering some numerical examples based on the Lennard-Jones potential. (orig.)

  15. A general exact method for synthesizing parallel-beam projections from cone-beam projections via filtered backprojection

    International Nuclear Information System (INIS)

    Li Liang; Chen Zhiqiang; Xing Yuxiang; Zhang Li; Kang Kejun; Wang Ge

    2006-01-01

    In recent years, image reconstruction methods for cone-beam computed tomography (CT) have been extensively studied. However, few of these studies discussed computing parallel-beam projections from cone-beam projections. In this paper, we focus on the exact synthesis of complete or incomplete parallel-beam projections from cone-beam projections. First, an extended central slice theorem is described to establish a relationship between the Radon space and the Fourier space. Then, data sufficiency conditions are proposed for computing parallel-beam projection data from cone-beam data. Using these results, a general filtered backprojection algorithm is formulated that can exactly synthesize parallel-beam projection data from cone-beam projection data. As an example, we prove that parallel-beam projections can be exactly synthesized in an angular range in the case of circular cone-beam scanning. Interestingly, this angular range is larger than that derived in the Feldkamp reconstruction framework. Numerical experiments are performed in the circular scanning case to verify our method

  16. Light scattering by multiple spheres: comparison between Maxwell theory and radiative-transfer-theory calculations.

    Science.gov (United States)

    Voit, Florian; Schäfer, Jan; Kienle, Alwin

    2009-09-01

    We present a methodology to compare results of classical radiative transfer theory against exact solutions of Maxwell theory for a high number of spheres. We calculated light propagation in a cubic scattering region (20 x 20 x 20 microm(3)) consisting of different concentrations of polystyrene spheres in water (diameter 2 microm) by an analytical solution of Maxwell theory and by a numerical solution of radiative transfer theory. The relative deviation of differential as well as total scattering cross sections obtained by both approaches was evaluated for each sphere concentration. For the considered case, we found that deviations due to radiative transfer theory remain small, even for concentrations up to ca. 20 vol. %.

  17. Numerical Modeling and Analysis of Transient Electromagnetic Wave Propagation and Scattering

    National Research Council Canada - National Science Library

    Petropoulos, Peter

    2000-01-01

    .... We are continuing with analysis and numerical comparisons with exact ABC's in ABC's instead of the simpler Dirichlet boundary condition to terminate the sponge layers in the time-domain is desirable...

  18. Uncertainty calculations made easier

    International Nuclear Information System (INIS)

    Hogenbirk, A.

    1994-07-01

    The results are presented of a neutron cross section sensitivity/uncertainty analysis performed in a complicated 2D model of the NET shielding blanket design inside the ITER torus design, surrounded by the cryostat/biological shield as planned for ITER. The calculations were performed with a code system developed at ECN Petten, with which sensitivity/uncertainty calculations become relatively simple. In order to check the deterministic neutron transport calculations (performed with DORT), calculations were also performed with the Monte Carlo code MCNP. Care was taken to model the 2.0 cm wide gaps between two blanket segments, as the neutron flux behind the vacuum vessel is largely determined by neutrons streaming through these gaps. The resulting neutron flux spectra are in excellent agreement up to the end of the cryostat. It is noted, that at this position the attenuation of the neutron flux is about 1 l orders of magnitude. The uncertainty in the energy integrated flux at the beginning of the vacuum vessel and at the beginning of the cryostat was determined in the calculations. The uncertainty appears to be strongly dependent on the exact geometry: if the gaps are filled with stainless steel, the neutron spectrum changes strongly, which results in an uncertainty of 70% in the energy integrated flux at the beginning of the cryostat in the no-gap-geometry, compared to an uncertainty of only 5% in the gap-geometry. Therefore, it is essential to take into account the exact geometry in sensitivity/uncertainty calculations. Furthermore, this study shows that an improvement of the covariance data is urgently needed in order to obtain reliable estimates of the uncertainties in response parameters in neutron transport calculations. (orig./GL)

  19. Accurate characterization of 3D diffraction gratings using time domain discontinuous Galerkin method with exact absorbing boundary conditions

    KAUST Repository

    Sirenko, Kostyantyn

    2013-07-01

    Exact absorbing and periodic boundary conditions allow to truncate grating problems\\' infinite physical domains without introducing any errors. This work presents exact absorbing boundary conditions for 3D diffraction gratings and describes their discretization within a high-order time-domain discontinuous Galerkin finite element method (TD-DG-FEM). The error introduced by the boundary condition discretization matches that of the TD-DG-FEM; this results in an optimal solver in terms of accuracy and computation time. Numerical results demonstrate the superiority of this solver over TD-DG-FEM with perfectly matched layers (PML)-based domain truncation. © 2013 IEEE.

  20. Identification of overlapping communities and their hierarchy by locally calculating community-changing resolution levels

    International Nuclear Information System (INIS)

    Havemann, Frank; Heinz, Michael; Struck, Alexander; Gläser, Jochen

    2011-01-01

    We propose a new local, deterministic and parameter-free algorithm that detects fuzzy and crisp overlapping communities in a weighted network and simultaneously reveals their hierarchy. Using a local fitness function, the algorithm greedily expands natural communities of seeds until the whole graph is covered. The hierarchy of communities is obtained analytically by calculating resolution levels at which communities grow rather than numerically by testing different resolution levels. This analytic procedure is not only more exact than its numerical alternatives such as LFM and GCE but also much faster. Critical resolution levels can be identified by searching for intervals in which large changes of the resolution do not lead to growth of communities. We tested our algorithm on benchmark graphs and on a network of 492 papers in information science. Combined with a specific post-processing, the algorithm gives much more precise results on LFR benchmarks with high overlap compared to other algorithms and performs very similarly to GCE

  1. Identification of overlapping communities and their hierarchy by locally calculating community-changing resolution levels

    Science.gov (United States)

    Havemann, Frank; Heinz, Michael; Struck, Alexander; Gläser, Jochen

    2011-01-01

    We propose a new local, deterministic and parameter-free algorithm that detects fuzzy and crisp overlapping communities in a weighted network and simultaneously reveals their hierarchy. Using a local fitness function, the algorithm greedily expands natural communities of seeds until the whole graph is covered. The hierarchy of communities is obtained analytically by calculating resolution levels at which communities grow rather than numerically by testing different resolution levels. This analytic procedure is not only more exact than its numerical alternatives such as LFM and GCE but also much faster. Critical resolution levels can be identified by searching for intervals in which large changes of the resolution do not lead to growth of communities. We tested our algorithm on benchmark graphs and on a network of 492 papers in information science. Combined with a specific post-processing, the algorithm gives much more precise results on LFR benchmarks with high overlap compared to other algorithms and performs very similarly to GCE.

  2. Exact solutions for rotating charged dust

    International Nuclear Information System (INIS)

    Islam, J.N.

    1984-01-01

    Earlier work by the author on rotating charged dust is summarized. An incomplete class of exact solutions for differentially rotating charged dust in Newton-Maxwell theory for the equal mass and charge case that was found earlier is completed. A new global exact solution for cylindrically symmetric differentially rotating charged dust in Newton-Maxwell theory is presented. Lastly, a new exact solution for cylindrically symmetric rigidly rotating charged dust in general relativity is given. (author)

  3. Numerical Calculation of Transport Based on the Drift-Kinetic Equation for Plasmas in General Toroidal Magnetic Geometry: Convergence and Testing

    International Nuclear Information System (INIS)

    Reynolds, J. M.; Lopez-Bruna, D.

    2009-01-01

    This report is the third of a series [Informes Tecnicos Ciemat 1165 y 1172] devoted to the development of a new numerical code to solve the guiding center equation for electrons and ions in toroidal plasmas. Two calculation meshes corresponding to axisymmetric tokamaks are now prepared and the kinetic equation is expanded so the standard terms of neoclassical theory --fi rst order terms in the Larmor radius expansion-- can be identified, restricting the calculations correspondingly. Using model density and temperature profiles for the plasma, several convergence test are performed depending on the calculation meshes and the expansions of the distribution function; then the results are compared with the theory [Hinton and Hazeltine, Rev. Mod. Phys. (1976)]. (Author) 18 refs

  4. Highly parallel demagnetization field calculation using the fast multipole method on tetrahedral meshes with continuous sources

    Science.gov (United States)

    Palmesi, P.; Exl, L.; Bruckner, F.; Abert, C.; Suess, D.

    2017-11-01

    The long-range magnetic field is the most time-consuming part in micromagnetic simulations. Computational improvements can relieve problems related to this bottleneck. This work presents an efficient implementation of the Fast Multipole Method [FMM] for the magnetic scalar potential as used in micromagnetics. The novelty lies in extending FMM to linearly magnetized tetrahedral sources making it interesting also for other areas of computational physics. We treat the near field directly and in use (exact) numerical integration on the multipole expansion in the far field. This approach tackles important issues like the vectorial and continuous nature of the magnetic field. By using FMM the calculations scale linearly in time and memory.

  5. Bounding spectral gaps of Markov chains: a novel exact multi-decomposition technique

    International Nuclear Information System (INIS)

    Destainville, N

    2003-01-01

    We propose an exact technique to calculate lower bounds of spectral gaps of discrete time reversible Markov chains on finite state sets. Spectral gaps are a common tool for evaluating convergence rates of Markov chains. As an illustration, we successfully use this technique to evaluate the 'absorption time' of the 'Backgammon model', a paradigmatic model for glassy dynamics. We also discuss the application of this technique to the 'contingency table problem', a notoriously difficult problem from probability theory. The interest of this technique is that it connects spectral gaps, which are quantities related to dynamics, with static quantities, calculated at equilibrium

  6. Exact Results for 't Hooft Loops in Gauge Theories on S^4

    CERN Document Server

    Gomis, Jaume; Pestun, Vasily

    2012-01-01

    The path integral of a general N=2 supersymmetric gauge theory on S^4 is exactly evaluated in the presence of a supersymmetric 't Hooft loop operator. The result we find - obtained using localization techniques - captures all perturbative quantum corrections as well as non-perturbative effects due to instantons and monopoles, which are supported at the north pole, south pole and equator of S^4. As a by-product, our gauge theory calculations successfully confirm the predictions made for 't Hooft loops obtained from the calculation of topological defect correlators in Liouville/Toda conformal field theory.

  7. New method for exact measurement of thermal neutron distribution in elementary cell

    International Nuclear Information System (INIS)

    Takac, S.M.; Krcevinac, S.B.

    1966-06-01

    Exact measurement of thermal neutron density distribution in an elementary cell necessitates the knowledge of the perturbations involved in the cell by the measuring device. A new method has been developed in which a special stress is made to evaluate these perturbations by measuring the response from the perturbations introduced in the elementary cell. The unperturbed distribution was obtained by extrapolation to zero perturbation. The final distributions for different lattice pitches were compared with a THERMOS-type calculation. As a pleasing fact a very good agreement has been reached, which dissolves the long existing disagreement between THERMOS calculations and measured density distribution (author)

  8. Exact effective actions for quarks in pure and self-dual mean fields

    International Nuclear Information System (INIS)

    Elizalde, E.; Soto, J.

    1985-01-01

    The QCD effective action for ordinary quarks in the presence of a constant self-dual, pure colormagnetic or pure color-electric background created by themselves is calculated at all loop orders. This is done in a very simple way, by using zeta-function regularization and the fact that the dependence of the effective action on the background can be factorized in these three cases, leaving a well-defined constant factor. The zero mode problem and the imaginary contributions are seen to be mere one-loop artifacts which automatically vanish when the exact calculation is carried out. (orig.)

  9. New method for exact measurement of thermal neutron distribution in elementary cell

    Energy Technology Data Exchange (ETDEWEB)

    Takac, S M; Krcevinac, S B [Institute of nuclear sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

    1966-06-15

    Exact measurement of thermal neutron density distribution in an elementary cell necessitates the knowledge of the perturbations involved in the cell by the measuring device. A new method has been developed in which a special stress is made to evaluate these perturbations by measuring the response from the perturbations introduced in the elementary cell. The unperturbed distribution was obtained by extrapolation to zero perturbation. The final distributions for different lattice pitches were compared with a THERMOS-type calculation. As a pleasing fact a very good agreement has been reached, which dissolves the long existing disagreement between THERMOS calculations and measured density distribution (author)

  10. The power series method in the effectiveness factor calculations

    OpenAIRE

    Filipich, C. P.; Villa, L. T.; Grossi, Ricardo Oscar

    2017-01-01

    In the present paper, exact analytical solutions are obtained for nonlinear ordinary differential equations which appear in complex diffusionreaction processes. A technique based on the power series method is used. Numerical results were computed for a number of cases which correspond to boundary value problems available in the literature. Additionally, new numerical results were generated for several important cases. Fil: Filipich, C. P.. Universidad Tecnológica Nacional. Facultad Regiona...

  11. Exact series solution to the two flavor neutrino oscillation problem in matter

    International Nuclear Information System (INIS)

    Blennow, Mattias; Ohlsson, Tommy

    2004-01-01

    In this paper, we present a real nonlinear differential equation for the two flavor neutrino oscillation problem in matter with an arbitrary density profile. We also present an exact series solution to this nonlinear differential equation. In addition, we investigate numerically the convergence of this solution for different matter density profiles such as constant and linear profiles as well as the Preliminary Reference Earth Model describing the Earth's matter density profile. Finally, we discuss other methods used for solving the neutrino flavor evolution problem

  12. Simplified parquet equations for the Anderson impurity model: comparison with numerically exact solutions

    Czech Academy of Sciences Publication Activity Database

    Pokorný, Vladislav; Žonda, M.; Kauch, Anna; Janiš, Václav

    2017-01-01

    Roč. 131, č. 4 (2017), s. 1042-1044 ISSN 0587-4246 R&D Projects: GA ČR GA15-14259S Institutional support: RVO:68378271 Keywords : And erson model * parquet equations * numerical renormalization group Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.469, year: 2016

  13. Exact finite volume expectation values of local operators in excited states

    Energy Technology Data Exchange (ETDEWEB)

    Pozsgay, B. [MTA-BME “Momentum” Statistical Field Theory Research Group,Budafoki út 8, 1111 Budapest (Hungary); Szécsényi, I.M. [Department of Mathematical Sciences, Durham University, South Road, Durham, DH1 3LE (United Kingdom); Institute of Theoretical Physics, Eötvös Loránd University,Pázmány Péter sétány 1/A, 1117 Budapest (Hungary); Takács, G. [MTA-BME “Momentum” Statistical Field Theory Research Group,Budafoki út 8, 1111 Budapest (Hungary); Department of Theoretical Physics, Budapest University of Technology and Economics,Budafoki út 8, 1111 Budapest (Hungary)

    2015-04-07

    We present a conjecture for the exact expression of finite volume expectation values in excited states in integrable quantum field theories, which is an extension of an earlier conjecture to the case of general diagonal factorized scattering with bound states and a nontrivial bootstrap structure. The conjectured expression is a spectral expansion which uses the exact form factors and the excited state thermodynamic Bethe Ansatz as building blocks. The conjecture is proven for the case of the trace of the energy-moment tensor. Concerning its validity for more general operators, we provide numerical evidence using the truncated conformal space approach. It is found that the expansion fails to be well-defined for small values of the volume in cases when the singularity structure of the TBA equations undergoes a non-trivial rearrangement under some critical value of the volume. Despite these shortcomings, the conjectured expression is expected to be valid for all volumes for most of the excited states, and as an expansion above the critical volume for the rest.

  14. Exact finite volume expectation values of local operators in excited states

    International Nuclear Information System (INIS)

    Pozsgay, B.; Szécsényi, I.M.; Takács, G.

    2015-01-01

    We present a conjecture for the exact expression of finite volume expectation values in excited states in integrable quantum field theories, which is an extension of an earlier conjecture to the case of general diagonal factorized scattering with bound states and a nontrivial bootstrap structure. The conjectured expression is a spectral expansion which uses the exact form factors and the excited state thermodynamic Bethe Ansatz as building blocks. The conjecture is proven for the case of the trace of the energy-moment tensor. Concerning its validity for more general operators, we provide numerical evidence using the truncated conformal space approach. It is found that the expansion fails to be well-defined for small values of the volume in cases when the singularity structure of the TBA equations undergoes a non-trivial rearrangement under some critical value of the volume. Despite these shortcomings, the conjectured expression is expected to be valid for all volumes for most of the excited states, and as an expansion above the critical volume for the rest.

  15. New numerical approximation of fractional derivative with non-local and non-singular kernel: Application to chaotic models

    Science.gov (United States)

    Toufik, Mekkaoui; Atangana, Abdon

    2017-10-01

    Recently a new concept of fractional differentiation with non-local and non-singular kernel was introduced in order to extend the limitations of the conventional Riemann-Liouville and Caputo fractional derivatives. A new numerical scheme has been developed, in this paper, for the newly established fractional differentiation. We present in general the error analysis. The new numerical scheme was applied to solve linear and non-linear fractional differential equations. We do not need a predictor-corrector to have an efficient algorithm, in this method. The comparison of approximate and exact solutions leaves no doubt believing that, the new numerical scheme is very efficient and converges toward exact solution very rapidly.

  16. Analytical and numerical calculation of magnetic field distribution in the slotted air-gap of tangential surface permanent-magnet motors

    Directory of Open Access Journals (Sweden)

    Boughrara Kamel

    2009-01-01

    Full Text Available This paper deals with the analytical and numerical analysis of the flux density distribution in the slotted air gap of permanent magnet motors with surface mounted tangentially magnetized permanent magnets. Two methods for magnetostatic field calculations are developed. The first one is an analytical method in which the effect of stator slots is taken into account by modulating the magnetic field distribution by the complex relative air gap permeance. The second one is a numerical method using 2-D finite element analysis with consideration of Dirichlet and anti-periodicity (periodicity boundary conditions and Lagrange Multipliers for simulation of movement. The results obtained by the analytical method are compared to the results of finite-element analysis.

  17. On numerical calculation of Rényi entropy for a sphere

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Nakwoo, E-mail: nkim@khu.ac.kr

    2014-06-02

    We numerically compute the Rényi entropy for four-dimensional free scalar field theory with a spherical entangling surface. As is well known, the Rényi entropy as a function of the boundary area exhibits linear dependence in the leading order. The coefficient of the subleading logarithmic term from our numerical data, as a function of the Rényi order q, agrees nicely with the general prediction of conformal field theory computation. The motivation of this work is also partly to see how the efficiency of numerical computation changes as a function of q. For q<1 the summation over eigenvalues of reduced density matrix takes longer since the series converges more slowly than for q=1. For q>1 the convergence is faster, but the relative error becomes large as a general trend.

  18. Exact, E = 0, classical and quantum solutions for general power-law oscillators

    International Nuclear Information System (INIS)

    Nieto, M.M.; Daboul, J.

    1994-01-01

    For zero energy, E = 0, we derive exact, classical and quantum solutions for all power-law oscillators with potentials V(r) = -γ/r ν , γ > 0 and -∞ 0 (t))] 1/μ , with μ = ν/2 - 1 ≠ 0. For ν > 2, the orbits are bound and go through the origin. We calculate the periods and precessions of these bound orbits, and graph a number of specific examples. The unbound orbits are also discussed in detail. Quantum mechanically, this system is also exactly solvable. We find that when ν > 2 the solutions are normalizable (bound), as in the classical case. Also, there are normalizable discrete, yet unbound, state which correspond to unbound classical particles which reach infinity in a finite time. These and other interesting comparisons to the classical system will be discussed

  19. Numerical Analysis Of Hooke Jeeves-Runge Kutta To Determine Reaction Rate Equation In Pyrrole Polymerization

    International Nuclear Information System (INIS)

    Gunawan, Indra; Sulistyo, Harry; Rochmad

    2001-01-01

    The numerical analysis of Hooke Jeeves Methods combined with Runge Kutta Methods is used to determine the exact model of reaction rate equation of pyrrole polymerization. Chemical polymerization of pyrrole was conducted with FeCI 3 / pyrrole solution at concentration ratio of 1.62 mole / mole and 2.18 mole / mole with varrying temperature of 28, 40, 50, and 60 o C. FeCl 3 acts as an oxidation agent to form pyrrole cation that will polymerize. The numerical analysis was done to examine the exact model of reaction rate equation which is derived from reaction equation of initiation, propagation, and termination. From its numerical analysis, it is found that the pyrrole polymerization follows third order of pyrrole cation concentration

  20. Exact Path Integral for 3D Quantum Gravity.

    Science.gov (United States)

    Iizuka, Norihiro; Tanaka, Akinori; Terashima, Seiji

    2015-10-16

    Three-dimensional Euclidean pure gravity with a negative cosmological constant can be formulated in terms of the Chern-Simons theory, classically. This theory can be written in a supersymmetric way by introducing auxiliary gauginos and scalars. We calculate the exact partition function of this Chern-Simons theory by using the localization technique. Thus, we obtain the quantum gravity partition function, assuming that it can be obtained nonperturbatively by summing over partition functions of the Chern-Simons theory on topologically different manifolds. The resultant partition function is modular invariant, and, in the case in which the central charge is expected to be 24, it is the J function, predicted by Witten.

  1. Neutronic calculations for a subcritical system with external source

    International Nuclear Information System (INIS)

    Cintas, A; Lopasso, E.M; Marquez Damian, J. I

    2006-01-01

    We present a neutronic study on an A D S, systems capable of transmute minor actinides and fission products in order to reduce their radiotoxicity and mean-life.We compare neutronic parameters obtained with Scale/Tort and M C N P modelling a sub-critical system with source from a N E A Benchmark.Due to lack of nuclear data at the temperature of the system, we perform calculations at available temperature of libraries (300 K); to compensate the reactivity insertion due to the temperature change we reduce the size of the fuel zone in order to get a sub-critical system that allow u s to evaluate neutronic parameters of the system with source.We have found that the numerical results (neutron spectrum, neutron flux distributions and other neutronic parameters) are in agreement with the M C N P and with those of the benchmark participants even though the geometric models used are not exactly the same. We conclude that with the real temperature cross sections, the calculation scheme developed (Scale/Tort and M C N P) will give reliable results in A D S evaluations [es

  2. Numerical solution of dynamic equilibrium models under Poisson uncertainty

    DEFF Research Database (Denmark)

    Posch, Olaf; Trimborn, Timo

    2013-01-01

    We propose a simple and powerful numerical algorithm to compute the transition process in continuous-time dynamic equilibrium models with rare events. In this paper we transform the dynamic system of stochastic differential equations into a system of functional differential equations of the retar...... solution to Lucas' endogenous growth model under Poisson uncertainty are used to compute the exact numerical error. We show how (potential) catastrophic events such as rare natural disasters substantially affect the economic decisions of households....

  3. Explore or Exploit? A Generic Model and an Exactly Solvable Case

    Science.gov (United States)

    Gueudré, Thomas; Dobrinevski, Alexander; Bouchaud, Jean-Philippe

    2014-02-01

    Finding a good compromise between the exploitation of known resources and the exploration of unknown, but potentially more profitable choices, is a general problem, which arises in many different scientific disciplines. We propose a stylized model for these exploration-exploitation situations, including population or economic growth, portfolio optimization, evolutionary dynamics, or the problem of optimal pinning of vortices or dislocations in disordered materials. We find the exact growth rate of this model for treelike geometries and prove the existence of an optimal migration rate in this case. Numerical simulations in the one-dimensional case confirm the generic existence of an optimum.

  4. Explore or exploit? A generic model and an exactly solvable case.

    Science.gov (United States)

    Gueudré, Thomas; Dobrinevski, Alexander; Bouchaud, Jean-Philippe

    2014-02-07

    Finding a good compromise between the exploitation of known resources and the exploration of unknown, but potentially more profitable choices, is a general problem, which arises in many different scientific disciplines. We propose a stylized model for these exploration-exploitation situations, including population or economic growth, portfolio optimization, evolutionary dynamics, or the problem of optimal pinning of vortices or dislocations in disordered materials. We find the exact growth rate of this model for treelike geometries and prove the existence of an optimal migration rate in this case. Numerical simulations in the one-dimensional case confirm the generic existence of an optimum.

  5. Comparison of two numerical modelling codes for hydraulic and transport calculations in the near-field

    International Nuclear Information System (INIS)

    Kalin, J.; Petkovsek, B.; Montarnal, Ph.; Genty, A.; Deville, E.; Krivic, J.; Ratej, J.

    2011-01-01

    In the past years the Slovenian Performance Analysis/Safety Assessment team has performed many generic studies for the future Slovenian low and intermediate level waste repository, most recently a Special Safety Analysis for the Krsko site. The modelling approach was to split the problem into three parts: near-field (detailed model of the repository), far-field (i.e., geosphere) and biosphere. In the Special Safety Analysis the code used to perform the near-field calculations was Hydrus2D. Recently the team has begun a cooperation with the French Commisariat al'Energie Atomique/Saclay (CEA/Saclay) and, as a part of this cooperation, began investigations into using the Alliances numerical platform for near-field calculations in order to compare the overall approach and calculated results. The article presents the comparison between these two codes for a silo-type repository that was considered in the Special Safety Analysis. The physical layout and characteristics of the repository are presented and a hydraulic and transport model of the repository is developed and implemented in Alliances. Some analysis of sensitivity to mesh fineness and to simulation timestep has been preformed and is also presented. The compared quantity is the output flux of radionuclides on the boundary of the model. Finally the results from Hydrus2D and Alliances are compared and the differences and similarities are commented.

  6. Comparison of two numerical modelling codes for hydraulic and transport calculations in the near-field

    Energy Technology Data Exchange (ETDEWEB)

    Kalin, J., E-mail: jan.kalin@zag.s [Slovenian National Building and Civil Engineering Institute, Dimiceva 12, SI-1000 Ljubljana (Slovenia); Petkovsek, B., E-mail: borut.petkovsek@zag.s [Slovenian National Building and Civil Engineering Institute, Dimiceva 12, SI-1000 Ljubljana (Slovenia); Montarnal, Ph., E-mail: philippe.montarnal@cea.f [CEA/Saclay, DM2S/SFME/LSET, Gif-sur-Yvette, 91191 cedex (France); Genty, A., E-mail: alain.genty@cea.f [CEA/Saclay, DM2S/SFME/LSET, Gif-sur-Yvette, 91191 cedex (France); Deville, E., E-mail: estelle.deville@cea.f [CEA/Saclay, DM2S/SFME/LSET, Gif-sur-Yvette, 91191 cedex (France); Krivic, J., E-mail: jure.krivic@geo-zs.s [Geological Survey of Slovenia, Dimiceva 14, SI-1000 Ljubljana (Slovenia); Ratej, J., E-mail: joze.ratej@geo-zs.s [Geological Survey of Slovenia, Dimiceva 14, SI-1000 Ljubljana (Slovenia)

    2011-04-15

    In the past years the Slovenian Performance Analysis/Safety Assessment team has performed many generic studies for the future Slovenian low and intermediate level waste repository, most recently a Special Safety Analysis for the Krsko site. The modelling approach was to split the problem into three parts: near-field (detailed model of the repository), far-field (i.e., geosphere) and biosphere. In the Special Safety Analysis the code used to perform the near-field calculations was Hydrus2D. Recently the team has begun a cooperation with the French Commisariat al'Energie Atomique/Saclay (CEA/Saclay) and, as a part of this cooperation, began investigations into using the Alliances numerical platform for near-field calculations in order to compare the overall approach and calculated results. The article presents the comparison between these two codes for a silo-type repository that was considered in the Special Safety Analysis. The physical layout and characteristics of the repository are presented and a hydraulic and transport model of the repository is developed and implemented in Alliances. Some analysis of sensitivity to mesh fineness and to simulation timestep has been preformed and is also presented. The compared quantity is the output flux of radionuclides on the boundary of the model. Finally the results from Hydrus2D and Alliances are compared and the differences and similarities are commented.

  7. Variational calculation for the ground state of 12C

    International Nuclear Information System (INIS)

    Consoni, L.H.A.; Coelho, H.T.; Das, T.K.

    1983-01-01

    A variational calculation is done for the ground state of a 3α-particle system. Two simple trial wavefunctions are used and results are compared with an exact calculation done by the Hyperspherical Harmonic method. A modifed Ali-Bodmer potential for the α-α interaction is considered for all calculations. It is found that these simple wave functions can be very useful for phenomenological calculations. (Author) [pt

  8. Mixed layer depth calculation in deep convection regions in ocean numerical models

    Science.gov (United States)

    Courtois, Peggy; Hu, Xianmin; Pennelly, Clark; Spence, Paul; Myers, Paul G.

    2017-12-01

    Mixed Layer Depths (MLDs) diagnosed by conventional numerical models are generally based on a density difference with the surface (e.g., 0.01 kg.m-3). However, the temperature-salinity compensation and the lack of vertical resolution contribute to over-estimated MLD, especially in regions of deep convection. In the present work, we examined the diagnostic MLD, associated with the deep convection of the Labrador Sea Water (LSW), calculated with a simple density difference criterion. The over-estimated MLD led us to develop a new tool, based on an observational approach, to recalculate MLD from model output. We used an eddy-permitting, 1/12° regional configuration of the Nucleus for European Modelling of the Ocean (NEMO) to test and discuss our newly defined MLD. We compared our new MLD with that from observations, and we showed a major improvement with our new algorithm. To show the new MLD is not dependent on a single model and its horizontal resolution, we extended our analysis to include 1/4° eddy-permitting simulations, and simulations using the Modular Ocean Model (MOM) model.

  9. Numerical comparison between Maxwell stress method and equivalent multipole approach for calculation of the dielectrophoretic force in single-cell traps.

    Science.gov (United States)

    Rosales, Carlos; Lim, Kian Meng

    2005-06-01

    This paper presents detailed numerical calculations of the dielectrophoretic force in traps designed for single-cell trapping. A trap with eight planar electrodes is studied for spherical and ellipsoidal particles using the boundary element method (BEM). Multipolar approximations of orders one to three are compared with the full Maxwell stress tensor (MST) calculation of the electrical force on spherical particles. Ellipsoidal particles are also studied, but in their case only the dipolar approximation is available for comparison with the MST solution. The results show that a small number of multipolar terms need to be considered in order to obtain accurate results for spheres, even in the proximity of the electrodes, and that the full MST calculation is only required in the study of non-spherical particles.

  10. Implementation of nonseparable exact exchange effects in the first-order nondegenerate adiabatic theory

    International Nuclear Information System (INIS)

    Abdolsalami, M.; Abdolsalami, F.; Gonzalez, H.R.

    1994-01-01

    We have implemented nonlocal exchange effects rigorously in the first-order nondegenerate adiabatic (FONDA) theory. This implementation requires solving integrodifferential equations that involve double integrals. Separable and model exchange approximations that simplify the inclusion of exchange in the scattering calculations have been previously implemented in the FONDA theory. The discrepancy between the exact exchange FONDA cross sections and the separable and model exchange results suggests that one needs to include exchange rigorously to obtain accurate results over a wide range of energies. Specifically, a difference of up to 30% is observed between the exact and separable exchange FONDA cross sections at near-threshold energies. At higher energies the FONDA results from the rigorous and model exchange implementations disagree by as much as 10%

  11. An exact solution for quantum tunneling in a dissipative system

    International Nuclear Information System (INIS)

    Yu, L.H.

    1996-01-01

    Applying a technique developed recently for a harmonic oscillator coupled to a bath of harmonic oscillators, we present an exact solution for the tunneling problem in an Ohmic dissipative system with inverted harmonic potential. The result shows that while the dissipation tends to suppress the tunneling, the Brownian motion tends to enhance the tunneling. Whether the tunneling rate increases or not would then depend on the initial conditions. We give a specific formula to calculate the tunneling probability determined by various parameters and the initial conditions

  12. Exact solutions and ladder operators for a new anharmonic oscillator

    International Nuclear Information System (INIS)

    Dong Shihai; Sun Guohua; Lozada-Cassou, M.

    2005-01-01

    In this Letter, we propose a new anharmonic oscillator and present the exact solutions of the Schrodinger equation with this oscillator. The ladder operators are established directly from the normalized radial wave functions and used to evaluate the closed expressions of matrix elements for some related functions. Some comments are made on the general calculation formula and recurrence relation for off-diagonal matrix elements. Finally, we show that this anharmonic oscillator possesses a hidden symmetry between E(r) and E(ir) by substituting r->ir

  13. Some exact solutions for maximally symmetric topological defects in Anti de Sitter space

    Science.gov (United States)

    Alvarez, Orlando; Haddad, Matthew

    2018-03-01

    We obtain exact analytical solutions for a class of SO( l) Higgs field theories in a non-dynamic background n-dimensional anti de Sitter space. These finite transverse energy solutions are maximally symmetric p-dimensional topological defects where n = ( p + 1) + l. The radius of curvature of anti de Sitter space provides an extra length scale that allows us to study the equations of motion in a limit where the masses of the Higgs field and the massive vector bosons are both vanishing. We call this the double BPS limit. In anti de Sitter space, the equations of motion depend on both p and l. The exact analytical solutions are expressed in terms of standard special functions. The known exact analytical solutions are for kink-like defects ( p = 0 , 1 , 2 , . . . ; l = 1), vortex-like defects ( p = 1 , 2 , 3; l = 2), and the 't Hooft-Polyakov monopole ( p = 0; l = 3). A bonus is that the double BPS limit automatically gives a maximally symmetric classical glueball type solution. In certain cases where we did not find an analytic solution, we present numerical solutions to the equations of motion. The asymptotically exponentially increasing volume with distance of anti de Sitter space imposes different constraints than those found in the study of defects in Minkowski space.

  14. An improved exact inversion formula for solenoidal fields in cone beam vector tomography

    Science.gov (United States)

    Katsevich, Alexander; Rothermel, Dimitri; Schuster, Thomas

    2017-06-01

    In this paper we present an improved inversion formula for the 3D cone beam transform of vector fields supported in the unit ball which is exact for solenoidal fields. It is well known that only the solenoidal part of a vector field can be determined from the longitudinal ray transform of a vector field in cone beam geometry. The inversion formula, as it was developed in Katsevich and Schuster (2013 An exact inversion formula for cone beam vector tomography Inverse Problems 29 065013), consists of two parts. The first part is of the filtered backprojection type, whereas the second part is a costly 4D integration and very inefficient. In this article we tackle this second term and obtain an improved formula, which is easy to implement and saves one order of integration. We also show that the first part contains all information about the curl of the field, whereas the second part has information about the boundary values. More precisely, the second part vanishes if the solenoidal part of the original field is tangential at the boundary. A number of numerical tests presented in the paper confirm the theoretical results and the exactness of the formula. Also, we obtain an inversion algorithm that works for general convex domains.

  15. Development and Application of a Numerical Framework for Improving Building Foundation Heat Transfer Calculations

    Science.gov (United States)

    Kruis, Nathanael J. F.

    Heat transfer from building foundations varies significantly in all three spatial dimensions and has important dynamic effects at all timescales, from one hour to several years. With the additional consideration of moisture transport, ground freezing, evapotranspiration, and other physical phenomena, the estimation of foundation heat transfer becomes increasingly sophisticated and computationally intensive to the point where accuracy must be compromised for reasonable computation time. The tools currently available to calculate foundation heat transfer are often either too limited in their capabilities to draw meaningful conclusions or too sophisticated to use in common practices. This work presents Kiva, a new foundation heat transfer computational framework. Kiva provides a flexible environment for testing different numerical schemes, initialization methods, spatial and temporal discretizations, and geometric approximations. Comparisons within this framework provide insight into the balance of computation speed and accuracy relative to highly detailed reference solutions. The accuracy and computational performance of six finite difference numerical schemes are verified against established IEA BESTEST test cases for slab-on-grade heat conduction. Of the schemes tested, the Alternating Direction Implicit (ADI) scheme demonstrates the best balance between accuracy, performance, and numerical stability. Kiva features four approaches of initializing soil temperatures for an annual simulation. A new accelerated initialization approach is shown to significantly reduce the required years of presimulation. Methods of approximating three-dimensional heat transfer within a representative two-dimensional context further improve computational performance. A new approximation called the boundary layer adjustment method is shown to improve accuracy over other established methods with a negligible increase in computation time. This method accounts for the reduced heat transfer

  16. Virtual photons in imaginary time: Computing exact Casimir forces via standard numerical electromagnetism techniques

    NARCIS (Netherlands)

    Rodriguez, A.; Ibanescu, M.; Iannuzzi, D.; Joannopoulos, J. D.; Johnson, S.T.

    2007-01-01

    We describe a numerical method to compute Casimir forces in arbitrary geometries, for arbitrary dielectric and metallic materials, with arbitrary accuracy (given sufficient computational resources). Our approach, based on well-established integration of the mean stress tensor evaluated via the

  17. EDISON-WMW: Exact Dynamic Programing Solution of the Wilcoxon–Mann–Whitney Test

    Directory of Open Access Journals (Sweden)

    Alexander Marx

    2016-02-01

    Full Text Available In many research disciplines, hypothesis tests are applied to evaluate whether findings are statistically significant or could be explained by chance. The Wilcoxon–Mann–Whitney (WMW test is among the most popular hypothesis tests in medicine and life science to analyze if two groups of samples are equally distributed. This nonparametric statistical homogeneity test is commonly applied in molecular diagnosis. Generally, the solution of the WMW test takes a high combinatorial effort for large sample cohorts containing a significant number of ties. Hence, P value is frequently approximated by a normal distribution. We developed EDISON-WMW, a new approach to calculate the exact permutation of the two-tailed unpaired WMW test without any corrections required and allowing for ties. The method relies on dynamic programing to solve the combinatorial problem of the WMW test efficiently. Beyond a straightforward implementation of the algorithm, we presented different optimization strategies and developed a parallel solution. Using our program, the exact P value for large cohorts containing more than 1000 samples with ties can be calculated within minutes. We demonstrate the performance of this novel approach on randomly-generated data, benchmark it against 13 other commonly-applied approaches and moreover evaluate molecular biomarkers for lung carcinoma and chronic obstructive pulmonary disease (COPD. We found that approximated P values were generally higher than the exact solution provided by EDISON-WMW. Importantly, the algorithm can also be applied to high-throughput omics datasets, where hundreds or thousands of features are included. To provide easy access to the multi-threaded version of EDISON-WMW, a web-based solution of our algorithm is freely available at http://www.ccb.uni-saarland.de/software/wtest/.

  18. General method and exact solutions to a generalized variable-coefficient two-dimensional KdV equation

    International Nuclear Information System (INIS)

    Chen, Yong; Shanghai Jiao-Tong Univ., Shangai; Chinese Academy of sciences, Beijing

    2005-01-01

    A general method to uniformly construct exact solutions in terms of special function of nonlinear partial differential equations is presented by means of a more general ansatz and symbolic computation. Making use of the general method, we can successfully obtain the solutions found by the method proposed by Fan (J. Phys. A., 36 (2003) 7009) and find other new and more general solutions, which include polynomial solutions, exponential solutions, rational solutions, triangular periodic wave solution, soliton solutions, soliton-like solutions and Jacobi, Weierstrass doubly periodic wave solutions. A general variable-coefficient two-dimensional KdV equation is chosen to illustrate the method. As a result, some new exact soliton-like solutions are obtained. planets. The numerical results are given in tables. The results are discussed in the conclusion

  19. Fourier transform methods for calculating action variables and semiclassical eigenvalues for coupled oscillator systems

    International Nuclear Information System (INIS)

    Eaker, C.W.; Schatz, G.C.; De Leon, N.; Heller, E.J.

    1984-01-01

    Two methods for calculating the good action variables and semiclassical eigenvalues for coupled oscillator systems are presented, both of which relate the actions to the coefficients appearing in the Fourier representation of the normal coordinates and momenta. The two methods differ in that one is based on the exact expression for the actions together with the EBK semiclassical quantization condition while the other is derived from the Sorbie--Handy (SH) approximation to the actions. However, they are also very similar in that the actions in both methods are related to the same set of Fourier coefficients and both require determining the perturbed frequencies in calculating actions. These frequencies are also determined from the Fourier representations, which means that the actions in both methods are determined from information entirely contained in the Fourier expansion of the coordinates and momenta. We show how these expansions can very conveniently be obtained from fast Fourier transform (FFT) methods and that numerical filtering methods can be used to remove spurious Fourier components associated with the finite trajectory integration duration. In the case of the SH based method, we find that the use of filtering enables us to relax the usual periodicity requirement on the calculated trajectory. Application to two standard Henon--Heiles models is considered and both are shown to give semiclassical eigenvalues in good agreement with previous calculations for nondegenerate and 1:1 resonant systems. In comparing the two methods, we find that although the exact method is quite general in its ability to be used for systems exhibiting complex resonant behavior, it converges more slowly with increasing trajectory integration duration and is more sensitive to the algorithm for choosing perturbed frequencies than the SH based method

  20. Exactly solvable nonequilibrium Langevin relaxation of a trapped nanoparticle

    International Nuclear Information System (INIS)

    Salazar, Domingos S P; Lira, Sérgio A

    2016-01-01

    In this work, we study the nonequilibrium statistical properties of the relaxation dynamics of a nanoparticle trapped in a harmonic potential. We report an exact time-dependent analytical solution to the Langevin dynamics that arises from the stochastic differential equation of our system’s energy in the underdamped regime. By utilizing this stochastic thermodynamics approach, we are able to completely describe the heat exchange process between the nanoparticle and the surrounding environment. As an important consequence of our results, we observe the validity of the heat exchange fluctuation theorem in our setup, which holds for systems arbitrarily far from equilibrium conditions. By extending our results for the case of N noninterating nanoparticles, we perform analytical asymptotic limits and direct numerical simulations that corroborate our analytical predictions. (paper)