Analytic approximations for the elastic moduli of two-phase materials

DEFF Research Database (Denmark)

Zhang, Z. J.; Zhu, Y. K.; Zhang, P.

2017-01-01

Based on the models of series and parallel connections of the two phases in a composite, analytic approximations are derived for the elastic constants (Young's modulus, shear modulus, and Poisson's ratio) of elastically isotropic two-phase composites containing second phases of various volume...

Analytical approximations to seawater optical phase functions of scattering

Science.gov (United States)

Haltrin, Vladimir I.

2004-11-01

This paper proposes a number of analytical approximations to the classic and recently measured seawater light scattering phase functions. The three types of analytical phase functions are derived: individual representations for 15 Petzold, 41 Mankovsky, and 91 Gulf of Mexico phase functions; collective fits to Petzold phase functions; and analytical representations that take into account dependencies between inherent optical properties of seawater. The proposed phase functions may be used for problems of radiative transfer, remote sensing, visibility and image propagation in natural waters of various turbidity.

Warm ''pasta'' phase in the Thomas-Fermi approximation

International Nuclear Information System (INIS)

Avancini, Sidney S.; Menezes, Debora P.; Chiacchiera, Silvia; Providencia, Constanca

2010-01-01

In the present article, the 'pasta' phase is studied at finite temperatures within a Thomas-Fermi (TF) approach. Relativistic mean-field models, both with constant and density-dependent couplings, are used to describe this frustrated system. We compare the present results with previous ones obtained within a phase-coexistence description and conclude that the TF approximation gives rise to a richer inner ''pasta'' phase structure and the homogeneous matter appears at higher densities. Finally, the transition density calculated within TF is compared with the results for this quantity obtained with other methods.

Phase-space path-integral calculation of the Wigner function

International Nuclear Information System (INIS)

Samson, J H

2003-01-01

The Wigner function W(q, p) is formulated as a phase-space path integral, whereby its sign oscillations can be seen to follow from interference between the geometrical phases of the paths. The approach has similarities to the path-centroid method in the configuration-space path integral. Paths can be classified by the midpoint of their ends; short paths where the midpoint is close to (q, p) and which lie in regions of low energy (low P function of the Hamiltonian) will dominate, and the enclosed area will determine the sign of the Wigner function. As a demonstration, the method is applied to a sequence of density matrices interpolating between a Poissonian number distribution and a number state, each member of which can be represented exactly by a discretized path integral with a finite number of vertices. Saddle-point evaluation of these integrals recovers (up to a constant factor) the WKB approximation to the Wigner function of a number state

Quasilinear theory without the random phase approximation

International Nuclear Information System (INIS)

Weibel, E.S.; Vaclavik, J.

1980-08-01

The system of quasilinear equations is derived without making use of the random phase approximation. The fluctuating quantities are described by the autocorrelation function of the electric field using the techniques of Fourier analysis. The resulting equations posses the necessary conservation properties, but comprise new terms which hitherto have been lost in the conventional derivations

Feynman rules and generalized ward identities in phase space functional integral

International Nuclear Information System (INIS)

Li Ziping

1996-01-01

Based on the phase-space generating functional of Green function, the generalized canonical Ward identities are derived. It is point out that one can deduce Feynman rules in tree approximation without carrying out explicit integration over canonical momenta in phase-space generating functional. If one adds a four-dimensional divergence term to a Lagrangian of the field, then, the propagator of the field can be changed

Approximate first integrals of a chaotic Hamiltonian system | Unal ...

African Journals Online (AJOL)

Approximate first integrals (conserved quantities) of a Hamiltonian dynamical system with two-degrees of freedom which arises in the modeling of galaxy have been obtained based on the approximate Noether symmetries for the resonance ω1 = ω2. Furthermore, Kolmogorov-Arnold-Moser (KAM) curves have been ...

Phase-integral method allowing nearlying transition points

CERN Document Server

Fröman, Nanny

1996-01-01

The efficiency of the phase-integral method developed by the present au­ thors has been shown both analytically and numerically in many publica­ tions. With the inclusion of supplementary quantities, closely related to new Stokes constants and obtained with the aid of comparison equation technique, important classes of problems in which transition points may approach each other become accessible to accurate analytical treatment. The exposition in this monograph is of a mathematical nature but has important physical applications, some examples of which are found in the adjoined papers. Thus, we would like to emphasize that, although we aim at mathematical rigor, our treatment is made primarily with physical needs in mind. To introduce the reader into the background of this book, we start by de­ scribing the phase-integral approximation of arbitrary order generated from an unspecified base function. This is done in Chapter 1, which is reprinted, after minor changes, from a review article. Chapter 2 is the re...

Semiclassical initial value approximation for Green's function.

Science.gov (United States)

Kay, Kenneth G

2010-06-28

A semiclassical initial value approximation is obtained for the energy-dependent Green's function. For a system with f degrees of freedom the Green's function expression has the form of a (2f-1)-dimensional integral over points on the energy surface and an integral over time along classical trajectories initiated from these points. This approximation is derived by requiring an integral ansatz for Green's function to reduce to Gutzwiller's semiclassical formula when the integrations are performed by the stationary phase method. A simpler approximation is also derived involving only an (f-1)-dimensional integral over momentum variables on a Poincare surface and an integral over time. The relationship between the present expressions and an earlier initial value approximation for energy eigenfunctions is explored. Numerical tests for two-dimensional systems indicate that good accuracy can be obtained from the initial value Green's function for calculations of autocorrelation spectra and time-independent wave functions. The relative advantages of initial value approximations for the energy-dependent Green's function and the time-dependent propagator are discussed.

Ordering, symbols and finite-dimensional approximations of path integrals

International Nuclear Information System (INIS)

Kashiwa, Taro; Sakoda, Seiji; Zenkin, S.V.

1994-01-01

We derive general form of finite-dimensional approximations of path integrals for both bosonic and fermionic canonical systems in terms of symbols of operators determined by operator ordering. We argue that for a system with a given quantum Hamiltonian such approximations are independent of the type of symbols up to terms of O(ε), where ε of is infinitesimal time interval determining the accuracy of the approximations. A new class of such approximations is found for both c-number and Grassmannian dynamical variables. The actions determined by the approximations are non-local and have no classical continuum limit except the cases of pq- and qp-ordering. As an explicit example the fermionic oscillator is considered in detail. (author)

Variational random phase approximation for the anharmonic oscillator

International Nuclear Information System (INIS)

Dukelsky, J.; Schuck, P.

1990-04-01

The recently derived Variational Random Phase Approximation is examined using the anharmonic oscillator model. Special attention is paid to the ground state RPA wave function and the convergence of the proposed truncation scheme to obtain the diagonal density matrix. Comparison with the standard Coupled Cluster method is made

Toward a consistent random phase approximation based on the relativistic Hartree approximation

International Nuclear Information System (INIS)

Price, C.E.; Rost, E.; Shepard, J.R.; McNeil, J.A.

1992-01-01

We examine the random phase approximation (RPA) based on a relativistic Hartree approximation description for nuclear ground states. This model includes contributions from the negative energy sea at the one-loop level. We emphasize consistency between the treatment of the ground state and the RPA. This consistency is important in the description of low-lying collective levels but less important for the longitudinal (e,e') quasielastic response. We also study the effect of imposing a three-momentum cutoff on negative energy sea contributions. A cutoff of twice the nucleon mass improves agreement with observed spin-orbit splittings in nuclei compared to the standard infinite cutoff results, an effect traceable to the fact that imposing the cutoff reduces m * /m. Consistency is much more important than the cutoff in the description of low-lying collective levels. The cutoff model also provides excellent agreement with quasielastic (e,e') data

Integrals of motion in the many-body localized phase

Directory of Open Access Journals (Sweden)

V. Ros

2015-02-01

Full Text Available We construct a complete set of quasi-local integrals of motion for the many-body localized phase of interacting fermions in a disordered potential. The integrals of motion can be chosen to have binary spectrum {0,1}, thus constituting exact quasiparticle occupation number operators for the Fermi insulator. We map the problem onto a non-Hermitian hopping problem on a lattice in operator space. We show how the integrals of motion can be built, under certain approximations, as a convergent series in the interaction strength. An estimate of its radius of convergence is given, which also provides an estimate for the many-body localization–delocalization transition. Finally, we discuss how the properties of the operator expansion for the integrals of motion imply the presence or absence of a finite temperature transition.

Approximated transport-of-intensity equation for coded-aperture x-ray phase-contrast imaging.

Science.gov (United States)

Das, Mini; Liang, Zhihua

2014-09-15

Transport-of-intensity equations (TIEs) allow better understanding of image formation and assist in simplifying the "phase problem" associated with phase-sensitive x-ray measurements. In this Letter, we present for the first time to our knowledge a simplified form of TIE that models x-ray differential phase-contrast (DPC) imaging with coded-aperture (CA) geometry. The validity of our approximation is demonstrated through comparison with an exact TIE in numerical simulations. The relative contributions of absorption, phase, and differential phase to the acquired phase-sensitive intensity images are made readily apparent with the approximate TIE, which may prove useful for solving the inverse phase-retrieval problem associated with these CA geometry based DPC.

Approximate characteristics for one-dimensional two-phase flows

International Nuclear Information System (INIS)

Sarayloo, A.; Peddleson, J.

1985-01-01

An approximate method for determining the characteristics associated with one-dimensional particulate two-phase flow models is presented. The method is based on iteration and is valid for small particulate volume fractions. The method is applied to several special cases involving incompressible particles suspended in a gas. The influences of certain changes in the physical model are investigated

The infinite limit as an eliminable approximation for phase transitions

Science.gov (United States)

Ardourel, Vincent

2018-05-01

It is generally claimed that infinite idealizations are required for explaining phase transitions within statistical mechanics (e.g. Batterman 2011). Nevertheless, Menon and Callender (2013) have outlined theoretical approaches that describe phase transitions without using the infinite limit. This paper closely investigates one of these approaches, which consists of studying the complex zeros of the partition function (Borrmann et al., 2000). Based on this theory, I argue for the plausibility for eliminating the infinite limit for studying phase transitions. I offer a new account for phase transitions in finite systems, and I argue for the use of the infinite limit as an approximation for studying phase transitions in large systems.

Synthesis Of Ultrasound Field Sources Based on Phase Screen Approximation

Directory of Open Access Journals (Sweden)

Sukhanov Dmitry

2018-01-01

Full Text Available Here is proposed the method for synthesizing the sources of an acoustic field on the basis of an approximation of the phase screen. The technology of manufacturing ultrasonic phased arrays providing the formation of a field of a given distribution is proposed. An experimental setup has been developed for the formation of a vortex field at a distance of 10 cm.

Systematic approximation of multi-scale Feynman integrals arXiv

CERN Document Server

Borowka, Sophia; Hulme, Daniel

An algorithm for the systematic analytical approximation of multi-scale Feynman integrals is presented. The algorithm produces algebraic expressions as functions of the kinematical parameters and mass scales appearing in the Feynman integrals, allowing for fast numerical evaluation. The results are valid in all kinematical regions, both above and below thresholds, up to in principle arbitrary orders in the dimensional regulator. The scope of the algorithm is demonstrated by presenting results for selected two-loop three-point and four-point integrals with an internal mass scale that appear in the two-loop amplitudes for Higgs+jet production.

Insight into structural phase transitions from the decoupled anharmonic mode approximation.

Science.gov (United States)

Adams, Donat J; Passerone, Daniele

2016-08-03

We develop a formalism (decoupled anharmonic mode approximation, DAMA) that allows calculation of the vibrational free energy using density functional theory even for materials which exhibit negative curvature of the potential energy surface with respect to atomic displacements. We investigate vibrational modes beyond the harmonic approximation and approximate the potential energy surface with the superposition of the accurate potential along each normal mode. We show that the free energy can stabilize crystal structures at finite temperatures which appear dynamically unstable at T  =  0. The DAMA formalism is computationally fast because it avoids statistical sampling through molecular dynamics calculations, and is in principle completely ab initio. It is free of statistical uncertainties and independent of model parameters, but can give insight into the mechanism of a structural phase transition. We apply the formalism to the perovskite cryolite, and investigate the temperature-driven phase transition from the P21/n to the Immm space group. We calculate a phase transition temperature between 710 and 950 K, in fair agreement with the experimental value of 885 K. This can be related to the underestimation of the interaction of the vibrational states. We also calculate the main axes of the thermal ellipsoid and can explain the experimentally observed increase of its volume for the fluorine by 200-300% throughout the phase transition. Our calculations suggest the appearance of tunneling states in the high temperature phase. The convergence of the vibrational DOS and of the critical temperature with respect of reciprocal space sampling is investigated using the polarizable-ion model.

Atomic structure calculations using the relativistic random phase approximation

International Nuclear Information System (INIS)

Cheng, K.T.; Johnson, W.R.

1981-01-01

A brief review is given for the relativistic random phase approximation (RRPA) applied to atomic transition problems. Selected examples of RRPA calculations on discrete excitations and photoionization are given to illustrate the need of relativistic many-body theories in dealing with atomic processes where both relativity and correlation are important

Coded diffraction system in X-ray crystallography using a boolean phase coded aperture approximation

Science.gov (United States)

Pinilla, Samuel; Poveda, Juan; Arguello, Henry

2018-03-01

Phase retrieval is a problem present in many applications such as optics, astronomical imaging, computational biology and X-ray crystallography. Recent work has shown that the phase can be better recovered when the acquisition architecture includes a coded aperture, which modulates the signal before diffraction, such that the underlying signal is recovered from coded diffraction patterns. Moreover, this type of modulation effect, before the diffraction operation, can be obtained using a phase coded aperture, just after the sample under study. However, a practical implementation of a phase coded aperture in an X-ray application is not feasible, because it is computationally modeled as a matrix with complex entries which requires changing the phase of the diffracted beams. In fact, changing the phase implies finding a material that allows to deviate the direction of an X-ray beam, which can considerably increase the implementation costs. Hence, this paper describes a low cost coded X-ray diffraction system based on block-unblock coded apertures that enables phase reconstruction. The proposed system approximates the phase coded aperture with a block-unblock coded aperture by using the detour-phase method. Moreover, the SAXS/WAXS X-ray crystallography software was used to simulate the diffraction patterns of a real crystal structure called Rhombic Dodecahedron. Additionally, several simulations were carried out to analyze the performance of block-unblock approximations in recovering the phase, using the simulated diffraction patterns. Furthermore, the quality of the reconstructions was measured in terms of the Peak Signal to Noise Ratio (PSNR). Results show that the performance of the block-unblock phase coded apertures approximation decreases at most 12.5% compared with the phase coded apertures. Moreover, the quality of the reconstructions using the boolean approximations is up to 2.5 dB of PSNR less with respect to the phase coded aperture reconstructions.

Static correlation beyond the random phase approximation

DEFF Research Database (Denmark)

Olsen, Thomas; Thygesen, Kristian Sommer

2014-01-01

derived from Hedin's equations (Random Phase Approximation (RPA), Time-dependent Hartree-Fock (TDHF), Bethe-Salpeter equation (BSE), and Time-Dependent GW) all reproduce the correct dissociation limit. We also show that the BSE improves the correlation energies obtained within RPA and TDHF significantly...... and confirms that BSE greatly improves the RPA and TDHF results despite the fact that the BSE excitation spectrum breaks down in the dissociation limit. In contrast, second order screened exchange gives a poor description of the dissociation limit, which can be attributed to the fact that it cannot be derived...

Integral approximants for functions of higher monodromic dimension

Energy Technology Data Exchange (ETDEWEB)

Baker, G.A. Jr.

1987-01-01

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

Photoabsorption for helium, lithium, and beryllium atoms in the random-phase approximation with exchange

International Nuclear Information System (INIS)

Amusia, M.Y.; Cherepkov, N.A.; Zivanovic, D.; Radojevic, V.

1976-01-01

The photoionization cross sections and the oscillator strengths for helium, lithium, and beryllium atoms are calculated in the framework of the random-phase approximation with exchange. The energy-level shift for discrete transitions is taken into account consistently in this approximation. The results are compared with other many-body calculations and with experimental data. The comparison shows that the random-phase approximation with exchange can even be used for systems with a small number of particles

Cold pasta phase in the extended Thomas-Fermi approximation

Science.gov (United States)

Avancini, S. S.; Bertolino, B. P.

2015-10-01

In this paper, we aim to obtain more accurate values for the transition density to the homogenous phase in the nuclear pasta that occurs in the inner crust of neutron stars. To that end, we use the nonlinear Walecka model at zero temperature and an approach based on the extended Thomas-Fermi (ETF) approximation.

Cold pasta phase in the extended Thomas–Fermi approximation

International Nuclear Information System (INIS)

Avancini, S.S.; Bertolino, B.P.

2015-01-01

In this paper, we aim to obtain more accurate values for the transition density to the homogenous phase in the nuclear pasta that occurs in the inner crust of neutron stars. To that end, we use the nonlinear Walecka model at zero temperature and an approach based on the extended Thomas–Fermi (ETF) approximation. (author)

Computation of conditional Wiener integrals by the composite approximation formulae with weight

International Nuclear Information System (INIS)

Lobanov, Yu.Yu.; Sidorova, O.V.; Zhidkov, E.P.

1988-01-01

New approximation formulae with weight for the functional integrals with conditional Wiener measure are derived. The formulae are exact on a class of polynomial functionals of a given degree. The convergence of approximations to the exact value of integral is proved, the estimate of the remainder is obtained. The results are illustrated with numerical examples. The advantages of the formulae over lattice Monte Carlo method are demonstrated in computation of some quantities in Euclidean quantum mechanics

Does the Berry phase in a quantum optical system originate from the rotating wave approximation?

International Nuclear Information System (INIS)

Wang, Minghao; Wei, L.F.; Liang, J.Q.

2015-01-01

The Berry phase (BP) in a quantized light field demonstrated more than a decade ago (Fuentes-Guridi et al., 2002 [9]) has attracted considerable attention, since it plays an important role in the cavity quantum electrodynamics. However, it is argued in Larson (2012) [15] that such a BP is just due to the rotating wave approximation (RWA) and the relevant BP should vanish beyond this approximation. Based on a consistent analysis we conclude in this letter that the BP in a generic Rabi model actually exists, no matter whether the RWA is applied. The existence of BP is also generalized to a three-level atom in the quantized cavity field. - Highlights: • Non-zero Berry phases for the Rabi model (without rotating wave approximation) are verified. • A general formulation of Berry phases for both the JC model and the Rabi model is presented. • The claim of vanishing Berry phase in the Rabi model is a result of improper semiclassical approximation. • Analytic solutions for the Rabi model is presented in the semiclassical approximation

Linear-scaling implementation of the direct random-phase approximation

International Nuclear Information System (INIS)

Kállay, Mihály

2015-01-01

We report the linear-scaling implementation of the direct random-phase approximation (dRPA) for closed-shell molecular systems. As a bonus, linear-scaling algorithms are also presented for the second-order screened exchange extension of dRPA as well as for the second-order Møller–Plesset (MP2) method and its spin-scaled variants. Our approach is based on an incremental scheme which is an extension of our previous local correlation method [Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The approach extensively uses local natural orbitals to reduce the size of the molecular orbital basis of local correlation domains. In addition, we also demonstrate that using natural auxiliary functions [M. Kállay, J. Chem. Phys. 141, 244113 (2014)], the size of the auxiliary basis of the domains and thus that of the three-center Coulomb integral lists can be reduced by an order of magnitude, which results in significant savings in computation time. The new approach is validated by extensive test calculations for energies and energy differences. Our benchmark calculations also demonstrate that the new method enables dRPA calculations for molecules with more than 1000 atoms and 10 000 basis functions on a single processor

Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis.

Science.gov (United States)

Wilhelm, Jan; Seewald, Patrick; Del Ben, Mauro; Hutter, Jürg

2016-12-13

We present an algorithm for computing the correlation energy in the random phase approximation (RPA) in a Gaussian basis requiring [Formula: see text] operations and [Formula: see text] memory. The method is based on the resolution of the identity (RI) with the overlap metric, a reformulation of RI-RPA in the Gaussian basis, imaginary time, and imaginary frequency integration techniques, and the use of sparse linear algebra. Additional memory reduction without extra computations can be achieved by an iterative scheme that overcomes the memory bottleneck of canonical RPA implementations. We report a massively parallel implementation that is the key for the application to large systems. Finally, cubic-scaling RPA is applied to a thousand water molecules using a correlation-consistent triple-ζ quality basis.

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

DEFF Research Database (Denmark)

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

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

A new approximation of Fermi-Dirac integrals of order 1/2 for degenerate semiconductor devices

Science.gov (United States)

AlQurashi, Ahmed; Selvakumar, C. R.

2018-06-01

There had been tremendous growth in the field of Integrated circuits (ICs) in the past fifty years. Scaling laws mandated both lateral and vertical dimensions to be reduced and a steady increase in doping densities. Most of the modern semiconductor devices have invariably heavily doped regions where Fermi-Dirac Integrals are required. Several attempts have been devoted to developing analytical approximations for Fermi-Dirac Integrals since numerical computations of Fermi-Dirac Integrals are difficult to use in semiconductor devices, although there are several highly accurate tabulated functions available. Most of these analytical expressions are not sufficiently suitable to be employed in semiconductor device applications due to their poor accuracy, the requirement of complicated calculations, and difficulties in differentiating and integrating. A new approximation has been developed for the Fermi-Dirac integrals of the order 1/2 by using Prony's method and discussed in this paper. The approximation is accurate enough (Mean Absolute Error (MAE) = 0.38%) and easy enough to be used in semiconductor device equations. The new approximation of Fermi-Dirac Integrals is applied to a more generalized Einstein Relation which is an important relation in semiconductor devices.

Matrix model approximations of fuzzy scalar field theories and their phase diagrams

Energy Technology Data Exchange (ETDEWEB)

Tekel, Juraj [Department of Theoretical Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynska Dolina, Bratislava, 842 48 (Slovakia)

2015-12-29

We present an analysis of two different approximations to the scalar field theory on the fuzzy sphere, a nonperturbative and a perturbative one, which are both multitrace matrix models. We show that the former reproduces a phase diagram with correct features in a qualitative agreement with the previous numerical studies and that the latter gives a phase diagram with features not expected in the phase diagram of the field theory.

Integration of differential equations by the pseudo-linear (PL) approximation

International Nuclear Information System (INIS)

Bonalumi, Riccardo A.

1998-01-01

A new method of integrating differential equations was originated with the technique of approximately calculating the integrals called the pseudo-linear (PL) procedure: this method is A-stable. This article contains the following examples: 1st order ordinary differential equations (ODEs), 2nd order linear ODEs, stiff system of ODEs (neutron kinetics), one-dimensional parabolic (diffusion) partial differential equations. In this latter case, this PL method coincides with the Crank-Nicholson method

The phase transition lines in pair approximation for the basic reinfection model SIRI

International Nuclear Information System (INIS)

Stollenwerk, Nico; Martins, Jose; Pinto, Alberto

2007-01-01

For a spatial stochastic epidemic model we investigate in the pair approximation scheme the differential equations for the moments. The basic reinfection model of susceptible-infected-recovered-reinfected or SIRI type is analysed, its phase transition lines calculated analytically in this pair approximation

Remark on Relations Between Different Non-integrable Phases

International Nuclear Information System (INIS)

Gu Zhiyu; Qian Shangwu

2005-01-01

There are three non-integrable phases in literatures: Berry phase, Aharonov-Anandan phase, and Yang phase. This article discusses the definitions and relations between these three non-integrable phases.

Random phase approximation in relativistic approach

International Nuclear Information System (INIS)

Ma Zhongyu; Yang Ding; Tian Yuan; Cao Ligang

2009-01-01

Some special issues of the random phase approximation(RPA) in the relativistic approach are reviewed. A full consistency and proper treatment of coupling to the continuum are responsible for the successful application of the RPA in the description of dynamical properties of finite nuclei. The fully consistent relativistic RPA(RRPA) requires that the relativistic mean filed (RMF) wave function of the nucleus and the RRPA correlations are calculated in a same effective Lagrangian and the consistent treatment of the Dirac sea of negative energy states. The proper treatment of the single particle continuum with scattering asymptotic conditions in the RMF and RRPA is discussed. The full continuum spectrum can be described by the single particle Green's function and the relativistic continuum RPA is established. A separable form of the paring force is introduced in the relativistic quasi-particle RPA. (authors)

Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding

Science.gov (United States)

Kreienkamp, Amelia B.; Liu, Lucy Y.; Minkara, Mona S.; Knepley, Matthew G.; Bardhan, Jaydeep P.; Radhakrishnan, Mala L.

2013-01-01

We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned error of 4% on a test set of more than 600 proteins—a significant improvement over previous BIBEE models. In this work, we tested the BIBEE/I model for its capability to predict residue-by-residue interactions in protein–protein binding, using the widely studied model system of trypsin and bovine pancreatic trypsin inhibitor (BPTI). Finding that the BIBEE/I model performs surprisingly less well in this task than simpler BIBEE models, we seek to explain this behavior in terms of the models’ differing spectral approximations of the exact boundary-integral operator. Calculations of analytically solvable systems (spheres and tri-axial ellipsoids) suggest two possibilities for improvement. The first is a modified BIBEE/I approach that captures the asymptotic eigenvalue limit correctly, and the second involves the dipole and quadrupole modes for ellipsoidal approximations of protein geometries. Our analysis suggests that fast, rigorous approximate models derived from reduced-basis approximation of boundary-integral equations might reach unprecedented accuracy, if the dipole and quadrupole modes can be captured quickly for general shapes. PMID:24466561

Extended random-phase approximation with three-body ground-state correlations

International Nuclear Information System (INIS)

Tohyama, M.; Schuck, P.

2008-01-01

An extended random-phase approximation (ERPA) which contains the effects of ground-state correlations up to a three-body level is applied to an extended Lipkin model which contains an additional particle-scattering term. Three-body correlations in the ground state are necessary to preserve the hermiticity of the Hamiltonian matrix of ERPA. Two approximate forms of ERPA which neglect the three-body correlations are also applied to investigate the importance of three-body correlations. It is found that the ground-state energy is little affected by the inclusion of the three-body correlations. On the contrary, three-body correlations for the excited states can become quite important. (orig.)

ON ASYMTOTIC APPROXIMATIONS OF FIRST INTEGRALS FOR DIFFERENTIAL AND DIFFERENCE EQUATIONS

Directory of Open Access Journals (Sweden)

W.T. van Horssen

2007-04-01

Full Text Available In this paper the concept of integrating factors for differential equations and the concept of invariance factors for difference equations to obtain first integrals or invariants will be presented. It will be shown that all integrating factors have to satisfya system of partial differential equations, and that all invariance factors have to satisfy a functional equation. In the period 1997-2001 a perturbation method based on integrating vectors was developed to approximate first integrals for systems of ordinary differential equations. This perturbation method will be reviewed shortly. Also in the paper the first results in the development of a perturbation method for difference equations based on invariance factors will be presented.

An approximation method for nonlinear integral equations of Hammerstein type

International Nuclear Information System (INIS)

Chidume, C.E.; Moore, C.

1989-05-01

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

Approximate Integrals of rf-driven Particle Motion in Magnetic Field

International Nuclear Information System (INIS)

Dodin, I.Y.; Fisch, N.J.

2004-01-01

For a particle moving in nonuniform magnetic field under the action of an rf wave, ponderomotive effects result from rf-driven oscillations nonlinearly coupled with Larmor rotation. Using Lagrangian and Hamiltonian formalism, we show how, despite this coupling, two independent integrals of the particle motion are approximately conserved. Those are the magnetic moment of free Larmor rotation and the quasi-energy of the guiding center motion parallel to the magnetic field. Under the assumption of non-resonant interaction of the particle with the rf field, these integrals represent adiabatic invariants of the particle motion

Computing thermal Wigner densities with the phase integration method

International Nuclear Information System (INIS)

Beutier, J.; Borgis, D.; Vuilleumier, R.; Bonella, S.

2014-01-01

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems

Computing thermal Wigner densities with the phase integration method.

Science.gov (United States)

Beutier, J; Borgis, D; Vuilleumier, R; Bonella, S

2014-08-28

We discuss how the Phase Integration Method (PIM), recently developed to compute symmetrized time correlation functions [M. Monteferrante, S. Bonella, and G. Ciccotti, Mol. Phys. 109, 3015 (2011)], can be adapted to sampling/generating the thermal Wigner density, a key ingredient, for example, in many approximate schemes for simulating quantum time dependent properties. PIM combines a path integral representation of the density with a cumulant expansion to represent the Wigner function in a form calculable via existing Monte Carlo algorithms for sampling noisy probability densities. The method is able to capture highly non-classical effects such as correlation among the momenta and coordinates parts of the density, or correlations among the momenta themselves. By using alternatives to cumulants, it can also indicate the presence of negative parts of the Wigner density. Both properties are demonstrated by comparing PIM results to those of reference quantum calculations on a set of model problems.

Vanishing-Overhead Linear-Scaling Random Phase Approximation by Cholesky Decomposition and an Attenuated Coulomb-Metric.

Science.gov (United States)

Luenser, Arne; Schurkus, Henry F; Ochsenfeld, Christian

2017-04-11

A reformulation of the random phase approximation within the resolution-of-the-identity (RI) scheme is presented, that is competitive to canonical molecular orbital RI-RPA already for small- to medium-sized molecules. For electronically sparse systems drastic speedups due to the reduced scaling behavior compared to the molecular orbital formulation are demonstrated. Our reformulation is based on two ideas, which are independently useful: First, a Cholesky decomposition of density matrices that reduces the scaling with basis set size for a fixed-size molecule by one order, leading to massive performance improvements. Second, replacement of the overlap RI metric used in the original AO-RPA by an attenuated Coulomb metric. Accuracy is significantly improved compared to the overlap metric, while locality and sparsity of the integrals are retained, as is the effective linear scaling behavior.

Relativistic quasiparticle random phase approximation in deformed nuclei

Energy Technology Data Exchange (ETDEWEB)

Pena Arteaga, D.

2007-06-25

Covariant density functional theory is used to study the influence of electromagnetic radiation on deformed superfluid nuclei. The relativistic Hartree-Bogolyubov equations and the resulting diagonalization problem of the quasiparticle random phase approximation are solved for axially symmetric systems in a fully self-consistent way by a newly developed parallel code. Three different kinds of high precision energy functionals are investigated and special care is taken for the decoupling of the Goldstone modes. This allows the microscopic investigation of Pygmy and scissor resonances in electric and magnetic dipole fields. Excellent agreement with recent experiments is found and new types of modes are predicted for deformed systems with large neutron excess. (orig.)

Photons in dense nuclear matter: Random-phase approximation

Science.gov (United States)

Stetina, Stephan; Rrapaj, Ermal; Reddy, Sanjay

2018-04-01

We present a comprehensive and pedagogic discussion of the properties of photons in cold and dense nuclear matter based on the resummed one-loop photon self-energy. Correlations among electrons, muons, protons, and neutrons in β equilibrium that arise as a result of electromagnetic and strong interactions are consistently taken into account within the random phase approximation. Screening effects, damping, and collective excitations are systematically studied in a fully relativistic setup. Our study is relevant to the linear response theory of dense nuclear matter, calculations of transport properties of cold dense matter, and investigations of the production and propagation of hypothetical vector bosons such as the dark photons.

Calculation of thermodynamic properties using the random-phase approximation: alpha-N2

NARCIS (Netherlands)

Jansen, A.P.J.; Schoorl, R.

1988-01-01

The random-phase approximation (RPA) for molecular crystals is extended in order to calculate thermodynamic properties. A recursion formula for thermodynamic averages of products of mean-field excitation and deexcitation operators is derived. With this formula the thermodynamic average of any

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

Science.gov (United States)

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

2018-05-08

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

Numerical integration for ab initio many-electron self energy calculations within the GW approximation

Energy Technology Data Exchange (ETDEWEB)

Liu, Fang, E-mail: fliu@lsec.cc.ac.cn [School of Statistics and Mathematics, Central University of Finance and Economics, Beijing 100081 (China); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Vigil-Fowler, Derek, E-mail: vigil@berkeley.edu [Department of Physics, University of California, Berkeley, CA 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lischner, Johannes, E-mail: jlischner597@gmail.com [Department of Physics, University of California, Berkeley, CA 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kemper, Alexander F., E-mail: afkemper@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Sharifzadeh, Sahar, E-mail: ssharifz@bu.edu [Department of Electrical and Computer Engineering and Division of Materials Science and Engineering, Boston University, Boston, MA 02215 (United States); Jornada, Felipe H. da, E-mail: jornada@berkeley.edu [Department of Physics, University of California, Berkeley, CA 94720 (United States); Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Deslippe, Jack, E-mail: jdeslippe@lbl.gov [NERSC, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); and others

2015-04-01

We present a numerical integration scheme for evaluating the convolution of a Green's function with a screened Coulomb potential on the real axis in the GW approximation of the self energy. Our scheme takes the zero broadening limit in Green's function first, replaces the numerator of the integrand with a piecewise polynomial approximation, and performs principal value integration on subintervals analytically. We give the error bound of our numerical integration scheme and show by numerical examples that it is more reliable and accurate than the standard quadrature rules such as the composite trapezoidal rule. We also discuss the benefit of using different self energy expressions to perform the numerical convolution at different frequencies.

Collective nuclear excitations with Skyrme-second random-phase approximation

International Nuclear Information System (INIS)

Gambacurta, D.; Catara, F.; Grasso, M.

2010-01-01

Second random-phase approximation (RPA) calculations with a Skyrme force are performed to describe both high- and low-lying excited states in 16 O. The coupling between one particle-one hole and two particle-two hole as well as that between two particle-two hole configurations among themselves are fully taken into account, and the residual interaction is never neglected; we do not resort therefore to a generally used approximate scheme where only the first kind of coupling is considered. The issue of the rearrangement terms in the matrix elements beyond the standard RPA will be considered in detail in a forthcoming paper. Two approximations are employed here for these rearrangement terms: they are either neglected or evaluated with the RPA procedure. As a general feature of second RPA results, a several-MeV shift of the strength distribution to lower energies is systematically found with respect to RPA distributions. A much more important fragmentation of the strength is also naturally provided by the second RPA owing to the huge number of two particle-two hole configurations. A better description of the excitation energies of the low-lying 0 + and 2 + states is obtained with the second RPA than with the RPA.

An energy-stable time-integrator for phase-field models

KAUST Repository

Vignal, Philippe

2016-12-27

We introduce a provably energy-stable time-integration method for general classes of phase-field models with polynomial potentials. We demonstrate how Taylor series expansions of the nonlinear terms present in the partial differential equations of these models can lead to expressions that guarantee energy-stability implicitly, which are second-order accurate in time. The spatial discretization relies on a mixed finite element formulation and isogeometric analysis. We also propose an adaptive time-stepping discretization that relies on a first-order backward approximation to give an error-estimator. This error estimator is accurate, robust, and does not require the computation of extra solutions to estimate the error. This methodology can be applied to any second-order accurate time-integration scheme. We present numerical examples in two and three spatial dimensions, which confirm the stability and robustness of the method. The implementation of the numerical schemes is done in PetIGA, a high-performance isogeometric analysis framework.

An energy-stable time-integrator for phase-field models

KAUST Repository

Vignal, Philippe; Collier, N.; Dalcin, Lisandro; Brown, D.L.; Calo, V.M.

2016-01-01

We introduce a provably energy-stable time-integration method for general classes of phase-field models with polynomial potentials. We demonstrate how Taylor series expansions of the nonlinear terms present in the partial differential equations of these models can lead to expressions that guarantee energy-stability implicitly, which are second-order accurate in time. The spatial discretization relies on a mixed finite element formulation and isogeometric analysis. We also propose an adaptive time-stepping discretization that relies on a first-order backward approximation to give an error-estimator. This error estimator is accurate, robust, and does not require the computation of extra solutions to estimate the error. This methodology can be applied to any second-order accurate time-integration scheme. We present numerical examples in two and three spatial dimensions, which confirm the stability and robustness of the method. The implementation of the numerical schemes is done in PetIGA, a high-performance isogeometric analysis framework.

Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations

International Nuclear Information System (INIS)

Peng, Degao; Yang, Yang; Zhang, Peng; Yang, Weitao

2014-01-01

In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N 4 ). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as 〈S ^2 〉 are also developed and tested

Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations

Energy Technology Data Exchange (ETDEWEB)

Peng, Degao; Yang, Yang; Zhang, Peng [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Yang, Weitao, E-mail: weitao.yang@duke.edu [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)

2014-12-07

In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N{sup 4}). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as 〈S{sup ^2}〉 are also developed and tested.

Quantum adiabatic approximation and the geometric phase

International Nuclear Information System (INIS)

Mostafazadeh, A.

1997-01-01

A precise definition of an adiabaticity parameter ν of a time-dependent Hamiltonian is proposed. A variation of the time-dependent perturbation theory is presented which yields a series expansion of the evolution operator U(τ)=summation scr(l) U (scr(l)) (τ) with U (scr(l)) (τ) being at least of the order ν scr(l) . In particular, U (0) (τ) corresponds to the adiabatic approximation and yields Berry close-quote s adiabatic phase. It is shown that this series expansion has nothing to do with the 1/τ expansion of U(τ). It is also shown that the nonadiabatic part of the evolution operator is generated by a transformed Hamiltonian which is off-diagonal in the eigenbasis of the initial Hamiltonian. This suggests the introduction of an adiabatic product expansion for U(τ) which turns out to yield exact expressions for U(τ) for a large number of quantum systems. In particular, a simple application of the adiabatic product expansion is used to show that for the Hamiltonian describing the dynamics of a magnetic dipole in an arbitrarily changing magnetic field, there exists another Hamiltonian with the same eigenvectors for which the Schroedinger equation is exactly solvable. Some related issues concerning geometric phases and their physical significance are also discussed. copyright 1997 The American Physical Society

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

Science.gov (United States)

Pratt, D. T.

1984-01-01

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

On the functional integral approach in quantum statistics. 1. Some approximations

International Nuclear Information System (INIS)

Dai Xianxi.

1990-08-01

In this paper the susceptibility of a Kondo system in a fairly wide temperature region is calculated in the first harmonic approximation in a functional integral approach. The comparison with that of the renormalization group theory shows that in this region the two results agree quite well. The expansion of the partition function with infinite independent harmonics for the Anderson model is studied. Some symmetry relations are generalized. It is a challenging problem to develop a functional integral approach including diagram analysis, mixed mode effects and some exact relations in the Anderson system proved in the functional integral approach. These topics will be discussed in the next paper. (author). 22 refs, 1 fig

Random phase approximation: from Giant to Intra-doublet resonances

International Nuclear Information System (INIS)

Amusia, M.Ya.

2004-01-01

We discuss here the history and current achievements of one of the most powerful approaches of 20th century physics--the random phase approximation (RPA) that permits us to study collective or multiparticle effects in atoms, nuclei, molecules and clusters, as well as in quantum liquids. We concentrate on RPA application to studies of isolated atoms where it permits one to disclose the collective multielectron nature of so-called Giant resonances and predict a number of others, like Interference and Intra-doublet resonances. We present general theory as well as results of concrete calculations for a number of atoms

Random phase approximation: from Giant to Intra-doublet resonances

Energy Technology Data Exchange (ETDEWEB)

Amusia, M.Ya. E-mail: amusia@vms.huji.ac.il

2004-06-01

We discuss here the history and current achievements of one of the most powerful approaches of 20th century physics--the random phase approximation (RPA) that permits us to study collective or multiparticle effects in atoms, nuclei, molecules and clusters, as well as in quantum liquids. We concentrate on RPA application to studies of isolated atoms where it permits one to disclose the collective multielectron nature of so-called Giant resonances and predict a number of others, like Interference and Intra-doublet resonances. We present general theory as well as results of concrete calculations for a number of atoms.

On the use of stochastic approximation Monte Carlo for Monte Carlo integration

KAUST Repository

Liang, Faming

2009-01-01

The stochastic approximation Monte Carlo (SAMC) algorithm has recently been proposed as a dynamic optimization algorithm in the literature. In this paper, we show in theory that the samples generated by SAMC can be used for Monte Carlo integration

Communication: Random phase approximation renormalized many-body perturbation theory

International Nuclear Information System (INIS)

Bates, Jefferson E.; Furche, Filipp

2013-01-01

We derive a renormalized many-body perturbation theory (MBPT) starting from the random phase approximation (RPA). This RPA-renormalized perturbation theory extends the scope of single-reference MBPT methods to small-gap systems without significantly increasing the computational cost. The leading correction to RPA, termed the approximate exchange kernel (AXK), substantially improves upon RPA atomization energies and ionization potentials without affecting other properties such as barrier heights where RPA is already accurate. Thus, AXK is more balanced than second-order screened exchange [A. Grüneis et al., J. Chem. Phys. 131, 154115 (2009)], which tends to overcorrect RPA for systems with stronger static correlation. Similarly, AXK avoids the divergence of second-order Møller-Plesset (MP2) theory for small gap systems and delivers a much more consistent performance than MP2 across the periodic table at comparable cost. RPA+AXK thus is an accurate, non-empirical, and robust tool to assess and improve semi-local density functional theory for a wide range of systems previously inaccessible to first-principles electronic structure calculations

Insight into organic reactions from the direct random phase approximation and its corrections

Energy Technology Data Exchange (ETDEWEB)

Ruzsinszky, Adrienn [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Zhang, Igor Ying; Scheffler, Matthias [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin (Germany)

2015-10-14

The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11) represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges.

Insight into organic reactions from the direct random phase approximation and its corrections

International Nuclear Information System (INIS)

Ruzsinszky, Adrienn; Zhang, Igor Ying; Scheffler, Matthias

2015-01-01

The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11) represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges

The choice of optimal Discrete Interaction Approximation to the kinetic integral for ocean waves

Directory of Open Access Journals (Sweden)

V. G. Polnikov

2003-01-01

Full Text Available A lot of discrete configurations for the four-wave nonlinear interaction processes have been calculated and tested by the method proposed earlier in the frame of the concept of Fast Discrete Interaction Approximation to the Hasselmann's kinetic integral (Polnikov and Farina, 2002. It was found that there are several simple configurations, which are more efficient than the one proposed originally in Hasselmann et al. (1985. Finally, the optimal multiple Discrete Interaction Approximation (DIA to the kinetic integral for deep-water waves was found. Wave spectrum features have been intercompared for a number of different configurations of DIA, applied to a long-time solution of kinetic equation. On the basis of this intercomparison the better efficiency of the configurations proposed was confirmed. Certain recommendations were given for implementation of new approximations to the wave forecast practice.

Topological quantum theories and integrable models

International Nuclear Information System (INIS)

Keski-Vakkuri, E.; Niemi, A.J.; Semenoff, G.; Tirkkonen, O.

1991-01-01

The path-integral generalization of the Duistermaat-Heckman integration formula is investigated for integrable models. It is shown that for models with periodic classical trajectories the path integral reduces to a form similar to the finite-dimensional Duistermaat-Heckman integration formula. This provides a relation between exactness of the stationary-phase approximation and Morse theory. It is also argued that certain integrable models can be related to topological quantum theories. Finally, it is found that in general the stationary-phase approximation presumes that the initial and final configurations are in different polarizations. This is exemplified by the quantization of the SU(2) coadjoint orbit

Isoscalar compression modes in relativistic random phase approximation

International Nuclear Information System (INIS)

Ma, Zhong-yu; Van Giai, Nguyen.; Wandelt, A.; Vretenar, D.; Ring, P.

2001-01-01

Monopole and dipole compression modes in nuclei are analyzed in the framework of a fully consistent relativistic random phase approximation (RRPA), based on effective mean-field Lagrangians with nonlinear meson self-interaction terms. The large effect of Dirac sea states on isoscalar strength distribution functions is illustrated for the monopole mode. The main contribution of Fermi and Dirac sea pair states arises through the exchange of the scalar meson. The effect of vector meson exchange is much smaller. For the monopole mode, RRPA results are compared with constrained relativistic mean-field calculations. A comparison between experimental and calculated energies of isoscalar giant monopole resonances points to a value of 250-270 MeV for the nuclear matter incompressibility. A large discrepancy remains between theoretical predictions and experimental data for the dipole compression mode

Numerical approximation of a binary fluid-surfactant phase field model of two-phase incompressible flow

KAUST Repository

Zhu, Guangpu

2018-04-17

In this paper, we consider the numerical approximation of a binary fluid-surfactant phase field model of two-phase incompressible flow. The nonlinearly coupled model consists of two Cahn-Hilliard type equations and incompressible Navier-Stokes equations. Using the Invariant Energy Quadratization (IEQ) approach, the governing system is transformed into an equivalent form, which allows the nonlinear potentials to be treated efficiently and semi-explicitly. we construct a first and a second-order time marching schemes, which are extremely efficient and easy-to-implement, for the transformed governing system. At each time step, the schemes involve solving a sequence of linear elliptic equations, and computations of phase variables, velocity and pressure are totally decoupled. We further establish a rigorous proof of unconditional energy stability for the semi-implicit schemes. Numerical results in both two and three dimensions are obtained, which demonstrate that the proposed schemes are accurate, efficient and unconditionally energy stable. Using our schemes, we investigate the effect of surfactants on droplet deformation and collision under a shear flow. The increase of surfactant concentration can enhance droplet deformation and inhibit droplet coalescence.

Numerical approximation of a binary fluid-surfactant phase field model of two-phase incompressible flow

KAUST Repository

Zhu, Guangpu; Kou, Jisheng; Sun, Shuyu; Yao, Jun; Li, Aifen

2018-01-01

In this paper, we consider the numerical approximation of a binary fluid-surfactant phase field model of two-phase incompressible flow. The nonlinearly coupled model consists of two Cahn-Hilliard type equations and incompressible Navier-Stokes equations. Using the Invariant Energy Quadratization (IEQ) approach, the governing system is transformed into an equivalent form, which allows the nonlinear potentials to be treated efficiently and semi-explicitly. we construct a first and a second-order time marching schemes, which are extremely efficient and easy-to-implement, for the transformed governing system. At each time step, the schemes involve solving a sequence of linear elliptic equations, and computations of phase variables, velocity and pressure are totally decoupled. We further establish a rigorous proof of unconditional energy stability for the semi-implicit schemes. Numerical results in both two and three dimensions are obtained, which demonstrate that the proposed schemes are accurate, efficient and unconditionally energy stable. Using our schemes, we investigate the effect of surfactants on droplet deformation and collision under a shear flow. The increase of surfactant concentration can enhance droplet deformation and inhibit droplet coalescence.

FUNPACK-2, Subroutine Library, Bessel Function, Elliptical Integrals, Min-max Approximation

International Nuclear Information System (INIS)

Cody, W.J.; Garbow, Burton S.

1975-01-01

1 - Description of problem or function: FUNPACK is a collection of FORTRAN subroutines to evaluate certain special functions. The individual subroutines are (Identification/Description): NATSI0 F2I0 Bessel function I 0 ; NATSI1 F2I1 Bessel function I 1 ; NATSJ0 F2J0 Bessel function J 0 ; NATSJ1 F2J1 Bessel function J 1 ; NATSK0 F2K0 Bessel function K 0 ; NATSK1 F2K1 Bessel function K 1 ; NATSBESY F2BY Bessel function Y ν ; DAW F1DW Dawson's integral; DELIPK F1EK Complete elliptic integral of the first kind; DELIPE F1EE Complete elliptic integral of the second kind; DEI F1EI Exponential integrals; NATSPSI F2PS Psi (logarithmic derivative of gamma function); MONERR F1MO Error monitoring package . 2 - Method of solution: FUNPACK uses evaluation of min-max approximations

Effect of Drawer Master Modeling of ZPPR15 Phase A Reactor Physics Experiment on Integral Parameter

International Nuclear Information System (INIS)

Yoo, Jae Woon; Kim, Sang Ji

2011-01-01

As a part of an International-Nuclear Engineering Research Initiative (I-NERI) Project, KAERI and ANL are analyzing the ZPPR-15 reactor physics experiments. The ZPPR-15 experiments were carried out in support of the Integral Fast Reactor (IFR) project. Because of lack of the experimental data, verifying and validating the core neutronics analysis code for metal fueled sodium cooled fast reactors (SFR) has been one of the big concerns. KAERI is developing the metal fuel loaded SFR and plans to construct the demonstration SFR by around 2028. Database built through this project and its result of analysis will play an important role in validating the SFR neutronics characteristics. As the first year work of I-NERI project, KAERI analyzed ZPPR-15 Phase A experiment among four phases (Phase A to D). The effect of a drawer master modeling on the integral parameter was investigated. The approximated benchmark configurations for each loading were constructed to be used for validating a deterministic code

Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium.

Energy Technology Data Exchange (ETDEWEB)

Shulenburger, Luke [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mattsson, Thomas Kjell Rene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Desjarlais, Michael Paul [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-01-01

Motivated by the disagreement between recent diffusion Monte Carlo calculations of the phase transition pressure between the ambient and beta-Sn phases of silicon and experiments, we present a study of the HCP to BCC phase transition in beryllium. This lighter element provides an opportunity for directly testing many of the approximations required for calculations on silicon and may suggest a path towards increasing the practical accuracy of diffusion Monte Carlo calculations of solids in general. We demonstrate that the single largest approximation in these calculations is the pseudopotential approximation and after removing this we find excellent agreement with experiment for the ambient HCP phase and results similar to careful calculations using density functional theory for the phase transition pressure.

Integration of Chandrasekhar's integral equation

International Nuclear Information System (INIS)

Tanaka, Tasuku

2003-01-01

We solve Chandrasekhar's integration equation for radiative transfer in the plane-parallel atmosphere by iterative integration. The primary thrust in radiative transfer has been to solve the forward problem, i.e., to evaluate the radiance, given the optical thickness and the scattering phase function. In the area of satellite remote sensing, our problem is the inverse problem: to retrieve the surface reflectance and the optical thickness of the atmosphere from the radiance measured by satellites. In order to retrieve the optical thickness and the surface reflectance from the radiance at the top-of-the atmosphere (TOA), we should express the radiance at TOA 'explicitly' in the optical thickness and the surface reflectance. Chandrasekhar formalized radiative transfer in the plane-parallel atmosphere in a simultaneous integral equation, and he obtained the second approximation. Since then no higher approximation has been reported. In this paper, we obtain the third approximation of the scattering function. We integrate functions derived from the second approximation in the integral interval from 1 to ∞ of the inverse of the cos of zenith angles. We can obtain the indefinite integral rather easily in the form of a series expansion. However, the integrals at the upper limit, ∞, are not yet known to us. We can assess the converged values of those series expansions at ∞ through calculus. For integration, we choose coupling pairs to avoid unnecessary terms in the outcome of integral and discover that the simultaneous integral equation can be deduced to the mere integral equation. Through algebraic calculation, we obtain the third approximation as a polynomial of the third degree in the atmospheric optical thickness

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions

Science.gov (United States)

Cendagorta, Joseph R.; Bačić, Zlatko; Tuckerman, Mark E.

2018-03-01

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions.

Science.gov (United States)

Cendagorta, Joseph R; Bačić, Zlatko; Tuckerman, Mark E

2018-03-14

We introduce a scheme for approximating quantum time correlation functions numerically within the Feynman path integral formulation. Starting with the symmetrized version of the correlation function expressed as a discretized path integral, we introduce a change of integration variables often used in the derivation of trajectory-based semiclassical methods. In particular, we transform to sum and difference variables between forward and backward complex-time propagation paths. Once the transformation is performed, the potential energy is expanded in powers of the difference variables, which allows us to perform the integrals over these variables analytically. The manner in which this procedure is carried out results in an open-chain path integral (in the remaining sum variables) with a modified potential that is evaluated using imaginary-time path-integral sampling rather than requiring the generation of a large ensemble of trajectories. Consequently, any number of path integral sampling schemes can be employed to compute the remaining path integral, including Monte Carlo, path-integral molecular dynamics, or enhanced path-integral molecular dynamics. We believe that this approach constitutes a different perspective in semiclassical-type approximations to quantum time correlation functions. Importantly, we argue that our approximation can be systematically improved within a cumulant expansion formalism. We test this approximation on a set of one-dimensional problems that are commonly used to benchmark approximate quantum dynamical schemes. We show that the method is at least as accurate as the popular ring-polymer molecular dynamics technique and linearized semiclassical initial value representation for correlation functions of linear operators in most of these examples and improves the accuracy of correlation functions of nonlinear operators.

Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

DEFF Research Database (Denmark)

Olsen, Thomas; Thygesen, Kristian S.

2012-01-01

The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of this approach is the improved description of dispersive forces...... while chemical bond strengths and absolute correlation energies are systematically underestimated. In this work we extend the RPA by including a parameter-free renormalized version of the adiabatic local-density (ALDA) exchange-correlation kernel. The renormalization consists of a (local) truncation...... of the ALDA kernel for wave vectors q > 2kF, which is found to yield excellent results for the homogeneous electron gas. In addition, the kernel significantly improves both the absolute correlation energies and atomization energies of small molecules over RPA and ALDA. The renormalization can...

Markov chain Monte Carlo with the Integrated Nested Laplace Approximation

KAUST Repository

Gómez-Rubio, Virgilio

2017-10-06

The Integrated Nested Laplace Approximation (INLA) has established itself as a widely used method for approximate inference on Bayesian hierarchical models which can be represented as a latent Gaussian model (LGM). INLA is based on producing an accurate approximation to the posterior marginal distributions of the parameters in the model and some other quantities of interest by using repeated approximations to intermediate distributions and integrals that appear in the computation of the posterior marginals. INLA focuses on models whose latent effects are a Gaussian Markov random field. For this reason, we have explored alternative ways of expanding the number of possible models that can be fitted using the INLA methodology. In this paper, we present a novel approach that combines INLA and Markov chain Monte Carlo (MCMC). The aim is to consider a wider range of models that can be fitted with INLA only when some of the parameters of the model have been fixed. We show how new values of these parameters can be drawn from their posterior by using conditional models fitted with INLA and standard MCMC algorithms, such as Metropolis–Hastings. Hence, this will extend the use of INLA to fit models that can be expressed as a conditional LGM. Also, this new approach can be used to build simpler MCMC samplers for complex models as it allows sampling only on a limited number of parameters in the model. We will demonstrate how our approach can extend the class of models that could benefit from INLA, and how the R-INLA package will ease its implementation. We will go through simple examples of this new approach before we discuss more advanced applications with datasets taken from the relevant literature. In particular, INLA within MCMC will be used to fit models with Laplace priors in a Bayesian Lasso model, imputation of missing covariates in linear models, fitting spatial econometrics models with complex nonlinear terms in the linear predictor and classification of data with

Markov chain Monte Carlo with the Integrated Nested Laplace Approximation

KAUST Repository

Gó mez-Rubio, Virgilio; Rue, Haavard

2017-01-01

The Integrated Nested Laplace Approximation (INLA) has established itself as a widely used method for approximate inference on Bayesian hierarchical models which can be represented as a latent Gaussian model (LGM). INLA is based on producing an accurate approximation to the posterior marginal distributions of the parameters in the model and some other quantities of interest by using repeated approximations to intermediate distributions and integrals that appear in the computation of the posterior marginals. INLA focuses on models whose latent effects are a Gaussian Markov random field. For this reason, we have explored alternative ways of expanding the number of possible models that can be fitted using the INLA methodology. In this paper, we present a novel approach that combines INLA and Markov chain Monte Carlo (MCMC). The aim is to consider a wider range of models that can be fitted with INLA only when some of the parameters of the model have been fixed. We show how new values of these parameters can be drawn from their posterior by using conditional models fitted with INLA and standard MCMC algorithms, such as Metropolis–Hastings. Hence, this will extend the use of INLA to fit models that can be expressed as a conditional LGM. Also, this new approach can be used to build simpler MCMC samplers for complex models as it allows sampling only on a limited number of parameters in the model. We will demonstrate how our approach can extend the class of models that could benefit from INLA, and how the R-INLA package will ease its implementation. We will go through simple examples of this new approach before we discuss more advanced applications with datasets taken from the relevant literature. In particular, INLA within MCMC will be used to fit models with Laplace priors in a Bayesian Lasso model, imputation of missing covariates in linear models, fitting spatial econometrics models with complex nonlinear terms in the linear predictor and classification of data with

Foundry fabricated photonic integrated circuit optical phase lock loop.

Science.gov (United States)

Bałakier, Katarzyna; Fice, Martyn J; Ponnampalam, Lalitha; Graham, Chris S; Wonfor, Adrian; Seeds, Alwyn J; Renaud, Cyril C

2017-07-24

This paper describes the first foundry-based InP photonic integrated circuit (PIC) designed to work within a heterodyne optical phase locked loop (OPLL). The PIC and an external electronic circuit were used to phase-lock a single-line semiconductor laser diode to an incoming reference laser, with tuneable frequency offset from 4 GHz to 12 GHz. The PIC contains 33 active and passive components monolithically integrated on a single chip, fully demonstrating the capability of a generic foundry PIC fabrication model. The electronic part of the OPLL consists of commercially available RF components. This semi-packaged system stabilizes the phase and frequency of the integrated laser so that an absolute frequency, high-purity heterodyne signal can be generated when the OPLL is in operation, with phase noise lower than -100 dBc/Hz at 10 kHz offset from the carrier. This is the lowest phase noise level ever demonstrated by monolithically integrated OPLLs.

First-order corrections to random-phase approximation GW calculations in silicon and diamond

NARCIS (Netherlands)

Ummels, R.T.M.; Bobbert, P.A.; van Haeringen, W.

1998-01-01

We report on ab initio calculations of the first-order corrections in the screened interaction W to the random-phase approximation polarizability and to the GW self-energy, using a noninteracting Green's function, for silicon and diamond. It is found that the first-order vertex and self-consistency

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.

Modified random phase approximation for multipole excitations at finite temperature

International Nuclear Information System (INIS)

Nguyen Dinh Dang

1991-01-01

The modified finite temperature random phase approximation (modified FT-RPA) has been constructed with taking the influence of thermostat on the structure of quansiparticles into account. The modified FT-RPA linear response for electric quadrupole (λ π = 2 + ) and octupole (λ π = 3 - ) excitations in 5 8Ni has been calculated as a function of the nuclear temperature. As compared to the conventional FT-RPA the modified FT-RPA has given a stronger spreading for the strength distribution of quandrupole excitations at finite temperature T ≤ 3MeV. (author). 22 refs; 4 figs; 2 tabs

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

KAUST Repository

Bisetti, Fabrizio

2012-01-01

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

Approximation for limit cycles and their isochrons.

Science.gov (United States)

Demongeot, Jacques; Françoise, Jean-Pierre

2006-12-01

Local analysis of trajectories of dynamical systems near an attractive periodic orbit displays the notion of asymptotic phase and isochrons. These notions are quite useful in applications to biosciences. In this note, we give an expression for the first approximation of equations of isochrons in the setting of perturbations of polynomial Hamiltonian systems. This method can be generalized to perturbations of systems that have a polynomial integral factor (like the Lotka-Volterra equation).

Any order approximate analytical solution of the nonlinear Volterra's integral equation for accelerator dynamic systems

International Nuclear Information System (INIS)

Liu Chunliang; Xie Xi; Chen Yinbao

1991-01-01

The universal nonlinear dynamic system equation is equivalent to its nonlinear Volterra's integral equation, and any order approximate analytical solution of the nonlinear Volterra's integral equation is obtained by exact analytical method, thus giving another derivation procedure as well as another computation algorithm for the solution of the universal nonlinear dynamic system equation

Calculating beta decay in the deformed self-consistent quasiparticle random phase approximation

Energy Technology Data Exchange (ETDEWEB)

Engel, Jonathan, E-mail: engelj@physics.unc.edu [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Mustonen, M. T., E-mail: mika.mustonen@yale.edu [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT 06052 (United States)

2016-06-21

We discuss a recent global calculation of beta-decay rates in the self-consistent Skyrme quasiparticle random phase approximation (QRPA), with axially symmetric nuclear deformation treated explicitly. The calculation makes makes use of the finite-amplitude method, first proposed by Nakatsukasa and collaborators, to reduce computation time. The results are comparable in quality to those of several other global QRPA calculations. The QRPA may have reached the limit of its accuracy.

Neutrino-nucleus reaction rates based on the relativistic quasiparticle random phase approximation

International Nuclear Information System (INIS)

Paar, N.; Vretenar, D.; Marketin, T.; Ring, P.

2008-01-01

Neutrino-nucleus cross sections are described in a novel theoretical framework where the weak interaction of leptons with hadrons is expressed in the standard current-current form, the nuclear ground state is described in the relativistic Hartree-Bogoliubov model, and the relevant transitions to excited states are calculated in the relativistic quasiparticle random phase approximation. The model is employed in studies of neutrino-nucleus reactions in several test cases

Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

DEFF Research Database (Denmark)

Olsen, Thomas; Yan, Jun; Mortensen, Jens Jørgen

2011-01-01

We calculate the potential energy surfaces for graphene adsorbed on Cu(111), Ni(111), and Co(0001) using density functional theory and the random phase approximation (RPA). For these adsorption systems covalent and dispersive interactions are equally important and while commonly used approximations...... for exchange-correlation functionals give inadequate descriptions of either van der Waals or chemical bonds, RPA accounts accurately for both. It is found that the adsorption is a delicate competition between a weak chemisorption minimum close to the surface and a physisorption minimum further from the surface....

Steam generator tube integrity program: Phase II, Final report

Energy Technology Data Exchange (ETDEWEB)

Kurtz, R.J.; Bickford, R.L.; Clark, R.A.; Morris, C.J.; Simonen, F.A.; Wheeler, K.R.

1988-08-01

The Steam Generator Tube Integrity Program (SGTIP) was a three phase program conducted for the US Nuclear Regulatory Commission (NRC) by Pacific Northwest Laboratory (PNL). The first phase involved burst and collapse testing of typical steam generator tubing with machined defects. The second phase of the SGTIP continued the integrity testing work of Phase I, but tube specimens were degraded by chemical means rather than machining methods. The third phase of the program used a removed-from-service steam generator as a test bed for investigating the reliability and effectiveness of in-service nondestructive eddy-current inspection methods and as a source of service degraded tubes for validating the Phase I and Phase II data on tube integrity. This report describes the results of Phase II of the SGTIP. The object of this effort included burst and collapse testing of chemically defected pressurized water reactor (PWR) steam generator tubing to validate empirical equations of remaining tube integrity developed during Phase I. Three types of defect geometries were investigated: stress corrosion cracking (SCC), uniform thinning and elliptical wastage. In addition, a review of the publicly available leak rate data for steam generator tubes with axial and circumferential SCC and a comparison with an analytical leak rate model is presented. Lastly, nondestructive eddy-current (EC) measurements to determine accuracy of defect depth sizing using conventional and alternate standards is described. To supplement the laboratory EC data and obtain an estimate of EC capability to detect and size SCC, a mini-round robin test utilizing several firms that routinely perform in-service inspections was conducted.

Steam generator tube integrity program: Phase II, Final report

International Nuclear Information System (INIS)

Kurtz, R.J.; Bickford, R.L.; Clark, R.A.; Morris, C.J.; Simonen, F.A.; Wheeler, K.R.

1988-08-01

The Steam Generator Tube Integrity Program (SGTIP) was a three phase program conducted for the US Nuclear Regulatory Commission (NRC) by Pacific Northwest Laboratory (PNL). The first phase involved burst and collapse testing of typical steam generator tubing with machined defects. The second phase of the SGTIP continued the integrity testing work of Phase I, but tube specimens were degraded by chemical means rather than machining methods. The third phase of the program used a removed-from-service steam generator as a test bed for investigating the reliability and effectiveness of in-service nondestructive eddy-current inspection methods and as a source of service degraded tubes for validating the Phase I and Phase II data on tube integrity. This report describes the results of Phase II of the SGTIP. The object of this effort included burst and collapse testing of chemically defected pressurized water reactor (PWR) steam generator tubing to validate empirical equations of remaining tube integrity developed during Phase I. Three types of defect geometries were investigated: stress corrosion cracking (SCC), uniform thinning and elliptical wastage. In addition, a review of the publicly available leak rate data for steam generator tubes with axial and circumferential SCC and a comparison with an analytical leak rate model is presented. Lastly, nondestructive eddy-current (EC) measurements to determine accuracy of defect depth sizing using conventional and alternate standards is described. To supplement the laboratory EC data and obtain an estimate of EC capability to detect and size SCC, a mini-round robin test utilizing several firms that routinely perform in-service inspections was conducted

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

Directory of Open Access Journals (Sweden)

Xiao-Ying Qin

2014-01-01

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

Collapse of the random-phase approximation: Examples and counter-examples from the shell model

International Nuclear Information System (INIS)

Johnson, Calvin W.; Stetcu, Ionel

2009-01-01

The Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a symmetry-conserving state (also referred to as a 'phase transition' in the literature). The order of the transition is important when one applies the random-phase approximation (RPA) to the of the Hartree-Fock wave function: if first order, RPA is stable through the transition, but if second-order, then the RPA amplitudes become large and lead to unphysical results. The latter is known as 'collapse' of the RPA. While the difference between first- and second-order transitions in the RPA was first pointed out by Thouless, we present for the first time nontrivial examples of both first- and second-order transitions in a uniform model, the interacting shell-model, where we can compare to exact numerical results.

Feynman formulae and phase space Feynman path integrals for tau-quantization of some Lévy-Khintchine type Hamilton functions

Energy Technology Data Exchange (ETDEWEB)

Butko, Yana A., E-mail: yanabutko@yandex.ru, E-mail: kinderknecht@math.uni-sb.de [Bauman Moscow State Technical University, 2nd Baumanskaya street, 5, Moscow 105005, Russia and University of Saarland, Postfach 151150, D-66041 Saarbrücken (Germany); Grothaus, Martin, E-mail: grothaus@mathematik.uni-kl.de [University of Kaiserslautern, 67653 Kaiserslautern (Germany); Smolyanov, Oleg G., E-mail: Smolyanov@yandex.ru [Lomonosov Moscow State University, Vorob’evy gory 1, Moscow 119992 (Russian Federation)

2016-02-15

Evolution semigroups generated by pseudo-differential operators are considered. These operators are obtained by different (parameterized by a number τ) procedures of quantization from a certain class of functions (or symbols) defined on the phase space. This class contains Hamilton functions of particles with variable mass in magnetic and potential fields and more general symbols given by the Lévy-Khintchine formula. The considered semigroups are represented as limits of n-fold iterated integrals when n tends to infinity. Such representations are called Feynman formulae. Some of these representations are constructed with the help of another pseudo-differential operator, obtained by the same procedure of quantization; such representations are called Hamiltonian Feynman formulae. Some representations are based on integral operators with elementary kernels; these are called Lagrangian Feynman formulae. Langrangian Feynman formulae provide approximations of evolution semigroups, suitable for direct computations and numerical modeling of the corresponding dynamics. Hamiltonian Feynman formulae allow to represent the considered semigroups by means of Feynman path integrals. In the article, a family of phase space Feynman pseudomeasures corresponding to different procedures of quantization is introduced. The considered evolution semigroups are represented as phase space Feynman path integrals with respect to these Feynman pseudomeasures, i.e., different quantizations correspond to Feynman path integrals with the same integrand but with respect to different pseudomeasures. This answers Berezin’s problem of distinguishing a procedure of quantization on the language of Feynman path integrals. Moreover, the obtained Lagrangian Feynman formulae allow also to calculate these phase space Feynman path integrals and to connect them with some functional integrals with respect to probability measures.

Feynman formulae and phase space Feynman path integrals for tau-quantization of some Lévy-Khintchine type Hamilton functions

International Nuclear Information System (INIS)

Butko, Yana A.; Grothaus, Martin; Smolyanov, Oleg G.

2016-01-01

Evolution semigroups generated by pseudo-differential operators are considered. These operators are obtained by different (parameterized by a number τ) procedures of quantization from a certain class of functions (or symbols) defined on the phase space. This class contains Hamilton functions of particles with variable mass in magnetic and potential fields and more general symbols given by the Lévy-Khintchine formula. The considered semigroups are represented as limits of n-fold iterated integrals when n tends to infinity. Such representations are called Feynman formulae. Some of these representations are constructed with the help of another pseudo-differential operator, obtained by the same procedure of quantization; such representations are called Hamiltonian Feynman formulae. Some representations are based on integral operators with elementary kernels; these are called Lagrangian Feynman formulae. Langrangian Feynman formulae provide approximations of evolution semigroups, suitable for direct computations and numerical modeling of the corresponding dynamics. Hamiltonian Feynman formulae allow to represent the considered semigroups by means of Feynman path integrals. In the article, a family of phase space Feynman pseudomeasures corresponding to different procedures of quantization is introduced. The considered evolution semigroups are represented as phase space Feynman path integrals with respect to these Feynman pseudomeasures, i.e., different quantizations correspond to Feynman path integrals with the same integrand but with respect to different pseudomeasures. This answers Berezin’s problem of distinguishing a procedure of quantization on the language of Feynman path integrals. Moreover, the obtained Lagrangian Feynman formulae allow also to calculate these phase space Feynman path integrals and to connect them with some functional integrals with respect to probability measures

X-ray differential phase-contrast tomographic reconstruction with a phase line integral retrieval filter

International Nuclear Information System (INIS)

Fu, Jian; Hu, Xinhua; Li, Chen

2015-01-01

We report an alternative reconstruction technique for x-ray differential phase-contrast computed tomography (DPC-CT). This approach is based on a new phase line integral projection retrieval filter, which is rooted in the derivative property of the Fourier transform and counteracts the differential nature of the DPC-CT projections. It first retrieves the phase line integral from the DPC-CT projections. Then the standard filtered back-projection (FBP) algorithms popular in x-ray absorption-contrast CT are directly applied to the retrieved phase line integrals to reconstruct the DPC-CT images. Compared with the conventional DPC-CT reconstruction algorithms, the proposed method removes the Hilbert imaginary filter and allows for the direct use of absorption-contrast FBP algorithms. Consequently, FBP-oriented image processing techniques and reconstruction acceleration softwares that have already been successfully used in absorption-contrast CT can be directly adopted to improve the DPC-CT image quality and speed up the reconstruction

On Born approximation in black hole scattering

Science.gov (United States)

Batic, D.; Kelkar, N. G.; Nowakowski, M.

2011-12-01

A massless field propagating on spherically symmetric black hole metrics such as the Schwarzschild, Reissner-Nordström and Reissner-Nordström-de Sitter backgrounds is considered. In particular, explicit formulae in terms of transcendental functions for the scattering of massless scalar particles off black holes are derived within a Born approximation. It is shown that the conditions on the existence of the Born integral forbid a straightforward extraction of the quasi normal modes using the Born approximation for the scattering amplitude. Such a method has been used in literature. We suggest a novel, well defined method, to extract the large imaginary part of quasinormal modes via the Coulomb-like phase shift. Furthermore, we compare the numerically evaluated exact scattering amplitude with the Born one to find that the approximation is not very useful for the scattering of massless scalar, electromagnetic as well as gravitational waves from black holes.

Quantum mechanics of the fractional-statistics gas: Random-phase approximation

International Nuclear Information System (INIS)

Dai, Q.; Levy, J.L.; Fetter, A.L.; Hanna, C.B.; Laughlin, R.B.

1992-01-01

A description of the fractional-statistics gas based on the complete summation of Hartree, Fock, ladder and bubble diagrams is presented. The superfluid properties identified previously in the random-phase-approximation (RPA) calculation of Fetter, Hanna, and Laughlin [Phys. Rev. B 39, 9679 (1989)] are substantially confirmed. The discrepancy between the RPA sound speed and the Hartree-Fock bulk modulus is found to be eliminated. The unusual Hall-effect behavior is found to vanish for the Bose gas test case but not for the fractional-statistics gas, implying that it is physically correct. Excellent agreement is obtained with the collective-mode dispersion obtained numerically by Xie, He, and Das Sarma [Phys. Rev. Lett. 65, 649 (1990)

Substrate Integrated Waveguide Based Phase Shifter and Phased Array in a Ferrite Low Temperature Co-fired Ceramic Package

KAUST Repository

Nafe, Ahmed A.

2014-03-01

Phased array antennas, capable of controlling the direction of their radiated beam, are demanded by many conventional as well as modern systems. Applications such as automotive collision avoidance radar, inter-satellite communication links and future man-portable satellite communication on move services require reconfigurable beam systems with stress on mobility and cost effectiveness. Microwave phase shifters are key components of phased antenna arrays. A phase shifter is a device that controls the phase of the signal passing through it. Among the technologies used to realize this device, traditional ferrite waveguide phase shifters offer the best performance. However, they are bulky and difficult to integrate with other system components. Recently, ferrite material has been introduced in Low Temperature Co-fired Ceramic (LTCC) multilayer packaging technology. This enables the integration of ferrite based components with other microwave circuitry in a compact, light-weight and mass producible package. Additionally, the recent concept of Substrate Integrated Waveguide (SIW) allowed realization of synthesized rectangular waveguide-like structures in planar and multilayer substrates. These SIW structures have been shown to maintain the merits of conventional rectangular waveguides such as low loss and high power handling capabilities while being planar and easily integrable with other components. Implementing SIW structures inside a multilayer ferrite LTCC package enables monolithic integration of phase shifters and phased arrays representing a true System on Package (SoP) solution. It is the objective of this thesis to pursue realizing efficient integrated phase shifters and phased arrays combining the above mentioned technologies, namely Ferrite LTCC and SIW. In this work, a novel SIW phase shifter in ferrite LTCC package is designed, fabricated and tested. The device is able to operate reciprocally as well as non-reciprocally. Demonstrating a measured maximum

Implicit approximate Riemann solver for two fluid two phase flow models

International Nuclear Information System (INIS)

Raymond, P.; Toumi, I.; Kumbaro, A.

1993-01-01

This paper is devoted to the description of new numerical methods developed for the numerical treatment of two phase flow models with two velocity fields which are now widely used in nuclear engineering for design or safety calculations. These methods are finite volumes numerical methods and are based on the use of Approximate Riemann Solver's concepts in order to define convective flux versus mean cell quantities. The first part of the communication will describe the numerical method for a three dimensional drift flux model and the extensions which were performed to make the numerical scheme implicit and to have fast running calculations of steady states. Such a scheme is now implemented in the FLICA-4 computer code devoted to 3-D steady state and transient core computations. We will present results obtained for a steady state flow with rod bow effect evaluation and for a Steam Line Break calculation were the 3-D core thermal computation was coupled with a 3-D kinetic calculation and a thermal-hydraulic transient calculation for the four loops of a Pressurized Water Reactor. The second part of the paper will detail the development of an equivalent numerical method based on an approximate Riemann Solver for a two fluid model with two momentum balance equations for the liquid and the gas phases. The main difficulty for these models is due to the existence of differential modelling terms such as added mass effects or interfacial pressure terms which make hyperbolic the model. These terms does not permit to write the balance equations system in a conservative form, and the classical theory for discontinuity propagation for non-linear systems cannot be applied. Meanwhile, the use of non-conservative products theory allows the study of discontinuity propagation for a non conservative model and this will permit the construction of a numerical scheme for two fluid two phase flow model. These different points will be detailed in that section which will be illustrated by

Self-consistent random phase approximation - application to systems of strongly correlated fermions; Approximation des phases aleatoires self-consistante - applications a des systemes de fermions fortement correles

Energy Technology Data Exchange (ETDEWEB)

Jemai, M

2004-07-01

In the present thesis we have applied the self consistent random phase approximation (SCRPA) to the Hubbard model with a small number of sites (a chain of 2, 4, 6,... sites). Earlier SCRPA had produced very good results in other models like the pairing model of Richardson. It was therefore interesting to see what kind of results the method is able to produce in the case of a more complex model like the Hubbard model. To our great satisfaction the case of two sites with two electrons (half-filling) is solved exactly by the SCRPA. This may seem a little trivial but the fact is that other respectable approximations like 'GW' or the approach with the Gutzwiller wave function yield results still far from exact. With this promising starting point, the case of 6 sites at half filling was considered next. For that case, evidently, SCRPA does not any longer give exact results. However, they are still excellent for a wide range of values of the coupling constant U, covering for instance the phase transition region towards a state with non zero magnetisation. We consider this as a good success of the theory. Non the less the case of 4 sites (a plaquette), as indeed all cases with 4n sites at half filling, turned out to have a problem because of degeneracies at the Hartree Fock level. A generalisation of the present method, including in addition to the pairs, quadruples of Fermions operators (called second RPA) is proposed to also include exactly the plaquette case in our approach. This is therefore a very interesting perspective of the present work. (author)

Finite-temperature random-phase approximation for spectroscopic properties of neon plasmas

International Nuclear Information System (INIS)

Colgan, J.; Collins, L. A.; Fontes, C. J.; Csanak, G.

2007-01-01

A finite-temperature random-phase approximation (FTRPA) is applied to calculate oscillator strengths for excitations in hot and dense plasmas. Application of the FTRPA provides a convenient, self-consistent method with which to explore coupled-channel effects of excited electrons in a dense plasma. We present FTRPA calculations that include coupled-channel effects. The inclusion of these effects is shown to cause significant differences in the oscillator strength for a prototypical case of 1 P excitation in neon when compared with single-channel and with average-atom calculations. Trends as a function of temperature and density are also discussed

Integrated Multidisciplinary Optimization Objects, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — During Phase I, M4 Engineering integrated a prototype system into OpenMDAO, a NASA GRC open-source framework. This prototype system was a proof-of-concept that M4...

Optimized random phase approximation for the structure of liquid alkali metals as electron-ion plasmas

International Nuclear Information System (INIS)

Senatore, G.; Tosi, M.P.; Trieste Univ.

1981-08-01

The purpose of this letter is to stress that the way towards an unconventional optimized-random-phase-approximation (ORPA) approach to the structure of liquid metals is indicated, and in fact already a good first-order solution for such an approach is provided

Domain patterns and hysteresis in phase-transforming solids: analysis and numerical simulations of a sharp interface dissipative model via phase-field approximation

Czech Academy of Sciences Publication Activity Database

DeSimone, A.; Kružík, Martin

2013-01-01

Roč. 8, č. 2 (2013), s. 481-499 ISSN 1556-1801 R&D Projects: GA ČR(CZ) GAP201/12/0671 Institutional support: RVO:67985556 Keywords : hysteresis * shape memory Subject RIV: BA - General Mathematics Impact factor: 0.952, year: 2013 http://library.utia.cas.cz/separaty/2013/MTR/kruzik-domain patterns and hysteresis in phase-transforming solids analysis and numerical simulations of a sharp interface dissipative model via phase-field approximation.pdf

Optical integration of Pancharatnam-Berry phase lens and dynamical phase lens

International Nuclear Information System (INIS)

Ke, Yougang; Liu, Yachao; Zhou, Junxiao; Liu, Yuanyuan; Luo, Hailu; Wen, Shuangchun

2016-01-01

In the optical system, most elements such as lens, prism, and optical fiber are made of silica glass. Therefore, integrating Pancharatnam-Berry phase elements into silica glass has potential applications in the optical system. In this paper, we take a lens, for example, which integrates a Pancharatnam-Berry phase lens into a conventional plano-convex lens. The spin states and positions of focal points can be modulated by controlling the polarization states of the incident beam. The proposed lens has a high transmission efficiency, and thereby acts as a simple and powerful tool to manipulate spin photons. Furthermore, the method can be conveniently extended to the optical fiber and laser cavity, and may provide a route to the design of the spin-photonic devices.

Integrated safety analysis of rolapitant with coadministered drugs from phase II/III trials

DEFF Research Database (Denmark)

Barbour, S; Smit, T.; Wang, X

2017-01-01

adverse events by use versus non-use of drug substrates of CYP2D6 or BCRP. Patients and methods: Patients were randomized to receive either 180 mg oral rolapitant or placebo approximately 1-2 hours before chemotherapy in combination with a 5-hydroxytryptamine type 3 RA and dexamethasone. Data...... cytochrome P450 (CYP) 3A4, but it does inhibit CYP2D6 and breast cancer resistance protein (BCRP). To analyze potential drug-drug interactions between rolapitant and concomitant medications, this integrated safety analysis of four double-blind, randomized phase II or III studies of rolapitant examined...... for treatment-emergent adverse events (TEAEs) and treatment-emergent serious adverse events (TESAEs) during cycle 1 were pooled across the four studies and summarized in the overall population and by concomitant use/non-use of CYP2D6 or BCRP substrate drugs. Results: In the integrated safety population, 828...

Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.

Science.gov (United States)

Bardhan, Jaydeep P

2008-10-14

The importance of molecular electrostatic interactions in aqueous solution has motivated extensive research into physical models and numerical methods for their estimation. The computational costs associated with simulations that include many explicit water molecules have driven the development of implicit-solvent models, with generalized-Born (GB) models among the most popular of these. In this paper, we analyze a boundary-integral equation interpretation for the Coulomb-field approximation (CFA), which plays a central role in most GB models. This interpretation offers new insights into the nature of the CFA, which traditionally has been assessed using only a single point charge in the solute. The boundary-integral interpretation of the CFA allows the use of multiple point charges, or even continuous charge distributions, leading naturally to methods that eliminate the interpolation inaccuracies associated with the Still equation. This approach, which we call boundary-integral-based electrostatic estimation by the CFA (BIBEE/CFA), is most accurate when the molecular charge distribution generates a smooth normal displacement field at the solute-solvent boundary, and CFA-based GB methods perform similarly. Conversely, both methods are least accurate for charge distributions that give rise to rapidly varying or highly localized normal displacement fields. Supporting this analysis are comparisons of the reaction-potential matrices calculated using GB methods and boundary-element-method (BEM) simulations. An approximation similar to BIBEE/CFA exhibits complementary behavior, with superior accuracy for charge distributions that generate rapidly varying normal fields and poorer accuracy for distributions that produce smooth fields. This approximation, BIBEE by preconditioning (BIBEE/P), essentially generates initial guesses for preconditioned Krylov-subspace iterative BEMs. Thus, iterative refinement of the BIBEE/P results recovers the BEM solution; excellent agreement

Separable pairing force for relativistic quasiparticle random-phase approximation

International Nuclear Information System (INIS)

Tian Yuan; Ma Zhongyu; Ring, Peter

2009-01-01

We have introduced a separable pairing force, which was adjusted to reproduce the pairing properties of the Gogny force in nuclear matter. This separable pairing force is able to describe in relativistic Hartree-Bogoliubov (RHB) calculations the pairing properties in the ground state of finite nuclei on almost the same footing as the original Gogny interaction. In this work we investigate excited states using the Relativistic Quasiparticle Random-Phase Approximation (RQRPA) with the same separable pairing force. For consistency the Goldstone modes and the convergence with various cutoff parameters in this version of RQRPA are studied. The first excited 2 + states for the chain of Sn isotopes with Z=50 and the chain of isotones with N=82 isotones are calculated in RQRPA together with the 3 - states of Sn isotopes. By comparing our results with experimental data and with the results of the original Gogny force we find that this simple separable pairing interaction is very successful in depicting the pairing properties of vibrational excitations.

Approximating Matsubara dynamics using the planetary model: Tests on liquid water and ice

Science.gov (United States)

Willatt, Michael J.; Ceriotti, Michele; Althorpe, Stuart C.

2018-03-01

Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because of a phase-term, it cannot be used as a practical method without further approximation. Recently, Smith et al. [J. Chem. Phys. 142, 244112 (2015)] developed a "planetary" model dynamics which conserves the Feynman-Kleinert (FK) approximation to the quantum-Boltzmann distribution. Here, we show that for moderately anharmonic potentials, the planetary dynamics gives a good approximation to Matsubara trajectories on the FK potential surface by decoupling the centroid trajectory from the locally harmonic Matsubara fluctuations, which reduce to a single phase-less fluctuation particle (the "planet"). We also show that the FK effective frequency can be approximated by a direct integral over these fluctuations, obviating the need to solve iterative equations. This modification, together with use of thermostatted ring-polymer molecular dynamics, allows us to test the planetary model on water (gas-phase, liquid, and ice) using the q-TIP4P/F potential surface. The "planetary" fluctuations give a poor approximation to the rotational/librational bands in the infrared spectrum, but a good approximation to the bend and stretch bands, where the fluctuation lineshape is found to be motionally narrowed by the vibrations of the centroid.

Path integrals and geometry of trajectories

International Nuclear Information System (INIS)

Blau, M.; Keski-Vakkuri, E.; Niemi, A.J.

1990-01-01

A geometrical interpretation of path integrals is developed in the space of trajectories. This yields a supersymmetric formulation of a generic path integral, with the supersymmetry resembling the BRST supersymmetry of a first class constrained system. If the classical equation of motion is a Killing vector field in the space of trajectories, the supersymmetry localizes the path integral to classical trajectories and the WKB approximation becomes exact. This can be viewed as a path integral generalization of the Duistermaat-Heckman theorem, which states the conditions for the exactness of the WKB approximation for integrals in a compact phase space. (orig.)

Scattering phases for particles with nonzero orbital momenta and resonance regimes in the Pais approximation

International Nuclear Information System (INIS)

Bruk, Yulii M; Voloshchuk, Aleksandr N

2012-01-01

The functional Pais equation for scattering phases with nonzero orbital momenta is solved in the case of low-energy particles. For short-range screened potentials, in particular, Yukawa or Thomas-Fermi potentials, the Pais equation is shown to reduce to transcendental equations. For the potentials varying ∼r - n , n > 0, simple algebraic equations are obtained for determining the phases δ l , l≠0. Possible applications of the Pais approximation to the problem of finding resonance regimes in the scattering of low-energy particles with nonzero orbital momenta are discussed. (methodological notes)

Quantum Chemistry beyond Born–Oppenheimer Approximation on a Quantum Computer: A Simulated Phase Estimation Study

Czech Academy of Sciences Publication Activity Database

Veis, Libor; Višňák, Jakub; Nishizawa, H.; Nakai, H.; Pittner, Jiří

2016-01-01

Roč. 116, č. 18 (2016), s. 1328-1336 ISSN 0020-7608 R&D Projects: GA ČR GA203/08/0626 Institutional support: RVO:61388955 Keywords : Born-Oppenheimer approximation * nuclear orbital plus molecular orbital method * phase estimation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.920, year: 2016

Approximate Riemann solvers and flux vector splitting schemes for two-phase flow

International Nuclear Information System (INIS)

Toumi, I.; Kumbaro, A.; Paillere, H.

1999-01-01

These course notes, presented at the 30. Von Karman Institute Lecture Series in Computational Fluid Dynamics, give a detailed and through review of upwind differencing methods for two-phase flow models. After recalling some fundamental aspects of two-phase flow modelling, from mixture model to two-fluid models, the mathematical properties of the general 6-equation model are analysed by examining the Eigen-structure of the system, and deriving conditions under which the model can be made hyperbolic. The following chapters are devoted to extensions of state-of-the-art upwind differencing schemes such as Roe's Approximate Riemann Solver or the Characteristic Flux Splitting method to two-phase flow. Non-trivial steps in the construction of such solvers include the linearization, the treatment of non-conservative terms and the construction of a Roe-type matrix on which the numerical dissipation of the schemes is based. Extension of the 1-D models to multi-dimensions in an unstructured finite volume formulation is also described; Finally, numerical results for a variety of test-cases are shown to illustrate the accuracy and robustness of the methods. (authors)

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

Approximation Properties of Certain Summation Integral Type Operators

Directory of Open Access Journals (Sweden)

Patel P.

2015-03-01

Full Text Available In the present paper, we study approximation properties of a family of linear positive operators and establish direct results, asymptotic formula, rate of convergence, weighted approximation theorem, inverse theorem and better approximation for this family of linear positive operators.

Tracking control of a closed-chain five-bar robot with two degrees of freedom by integration of an approximation-based approach and mechanical design.

Science.gov (United States)

Cheng, Long; Hou, Zeng-Guang; Tan, Min; Zhang, W J

2012-10-01

The trajectory tracking problem of a closed-chain five-bar robot is studied in this paper. Based on an error transformation function and the backstepping technique, an approximation-based tracking algorithm is proposed, which can guarantee the control performance of the robotic system in both the stable and transient phases. In particular, the overshoot, settling time, and final tracking error of the robotic system can be all adjusted by properly setting the parameters in the error transformation function. The radial basis function neural network (RBFNN) is used to compensate the complicated nonlinear terms in the closed-loop dynamics of the robotic system. The approximation error of the RBFNN is only required to be bounded, which simplifies the initial "trail-and-error" configuration of the neural network. Illustrative examples are given to verify the theoretical analysis and illustrate the effectiveness of the proposed algorithm. Finally, it is also shown that the proposed approximation-based controller can be simplified by a smart mechanical design of the closed-chain robot, which demonstrates the promise of the integrated design and control philosophy.

Path integrals over phase space, their definition and simple properties

International Nuclear Information System (INIS)

Tarski, J.; Technische Univ. Clausthal, Clausthal-Zellerfeld

1981-10-01

Path integrals over phase space are defined in two ways. Some properties of these integrals are established. These properties concern the technique of integration and the quantization rule isup(-I)deltasub(q) p. (author)

Right unitarity triangles, stable CP-violating phases and approximate quark-lepton complementarity

International Nuclear Information System (INIS)

Xing Zhizhong

2009-01-01

Current experimental data indicate that two unitarity triangles of the CKM quark mixing matrix V are almost the right triangles with α∼90 deg. We highlight a very suggestive parametrization of V and show that its CP-violating phase φ is nearly equal to α (i.e., φ-α∼1.1 deg.). Both φ and α are stable against the renormalizaton-group evolution from the electroweak scale M Z to a superhigh energy scale M X or vice versa, and thus it is impossible to obtain α=90 deg. at M Z from φ=90 deg. at M X . We conjecture that there might also exist a maximal CP-violating phase φ∼90 deg. in the MNS lepton mixing matrix U. The approximate quark-lepton complementarity relations, which hold in the standard parametrizations of V and U, can also hold in our particular parametrizations of V and U simply due to the smallness of |V ub | and |V e3 |.

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

OpenAIRE

Rosolen, A.; Peco, C.; Arroyo, M.

2013-01-01

We present an adaptive meshfree method to approximate phase-field models of biomembranes. In such models, the Helfrich curvature elastic energy, the surface area, and the enclosed volume of a vesicle are written as functionals of a continuous phase-field, which describes the interface in a smeared manner. Such functionals involve up to second-order spatial derivatives of the phase-field, leading to fourth-order Euler–Lagrange partial differential equations (PDE). The solutions develop sharp i...

Self-consistent Random Phase Approximation applied to a schematic model of the field theory; Approximation des phases aleatoires self-consistante appliquee a un modele schematique de la theorie des champs

Energy Technology Data Exchange (ETDEWEB)

Bertrand, Thierry [Inst. de Physique Nucleaire, Lyon-1 Univ., 69 - Villeurbanne (France)

1998-12-11

The self-consistent Random Phase Approximation (SCRPA) is a method allowing in the mean-field theory inclusion of the correlations in the ground and excited states. It has the advantage of not violating the Pauli principle in contrast to RPA, that is based on the quasi-bosonic approximation; in addition, numerous applications in different domains of physics, show a possible variational character. However, the latter should be formally demonstrated. The first model studied with SCRPA is the anharmonic oscillator in the region where one of its symmetries is spontaneously broken. The ground state energy is reproduced by SCRPA more accurately than RPA, with no violation of the Ritz variational principle, what is not the case for the latter approximation. The success of SCRPA is the the same in case of ground state energy for a model mixing bosons and fermions. At the transition point the SCRPA is correcting RPA drastically, but far from this region the correction becomes negligible, both methods being of similar precision. In the deformed region in the case of RPA a spurious mode occurred due to the microscopical character of the model.. The SCRPA may also reproduce this mode very accurately and actually it coincides with an excitation in the exact spectrum 40 refs., 33 figs., 14 tabs.

On the use of stochastic approximation Monte Carlo for Monte Carlo integration

KAUST Repository

Liang, Faming

2009-03-01

The stochastic approximation Monte Carlo (SAMC) algorithm has recently been proposed as a dynamic optimization algorithm in the literature. In this paper, we show in theory that the samples generated by SAMC can be used for Monte Carlo integration via a dynamically weighted estimator by calling some results from the literature of nonhomogeneous Markov chains. Our numerical results indicate that SAMC can yield significant savings over conventional Monte Carlo algorithms, such as the Metropolis-Hastings algorithm, for the problems for which the energy landscape is rugged. © 2008 Elsevier B.V. All rights reserved.

A Monte Carlo Application to Approximate the Integral from a to b of e Raised to the x Squared.

Science.gov (United States)

Easterday, Kenneth; Smith, Tommy

1992-01-01

Proposes an alternative means of approximating the value of complex integrals, the Monte Carlo procedure. Incorporating a discrete approach and probability, an approximation is obtained from the ratio of computer-generated points falling under the curve to the number of points generated in a predetermined rectangle. (MDH)

Phase diagram of the Blume-Emery-Griffiths model on the simple cubic lattice calculated by the linear chain approximation

International Nuclear Information System (INIS)

Albayrak, Erhan; Keskin, Mustafa

2000-01-01

The linear chain approximation is used to study the temperature dependence of the order parameters and the phase diagrams of the Blume-Emery-Griffiths model on the simple cubic lattice with dipole-dipole, quadrupole-quadrupole coupling strengths and a crystal-field interaction. The problem is approached introducing first a trial one-dimensional Hamiltonian whose free energy can be calculated exactly by the transfer matrix method. Then using the Bogoliubov variational principle, the free energy of the model is determined. It is assumed that the dipolar and quadrupolar intrachain coupling constants are much stronger than the corresponding interchain constants and confined the attention to the case of nearest-neighbor interactions. The phase transitions are examined and the phase diagrams are obtained for several values of the coupling strengths in the three different planes. A comparison with other approximate techniques is also made

Phase diagram of the Blume-Emery-Griffiths model on the simple cubic lattice calculated by the linear chain approximation

CERN Document Server

Albayrak, E

2000-01-01

The linear chain approximation is used to study the temperature dependence of the order parameters and the phase diagrams of the Blume-Emery-Griffiths model on the simple cubic lattice with dipole-dipole, quadrupole-quadrupole coupling strengths and a crystal-field interaction. The problem is approached introducing first a trial one-dimensional Hamiltonian whose free energy can be calculated exactly by the transfer matrix method. Then using the Bogoliubov variational principle, the free energy of the model is determined. It is assumed that the dipolar and quadrupolar intrachain coupling constants are much stronger than the corresponding interchain constants and confined the attention to the case of nearest-neighbor interactions. The phase transitions are examined and the phase diagrams are obtained for several values of the coupling strengths in the three different planes. A comparison with other approximate techniques is also made.

Self-consistent random phase approximation - application to systems of strongly correlated fermions

International Nuclear Information System (INIS)

Jemai, M.

2004-07-01

In the present thesis we have applied the self consistent random phase approximation (SCRPA) to the Hubbard model with a small number of sites (a chain of 2, 4, 6,... sites). Earlier SCRPA had produced very good results in other models like the pairing model of Richardson. It was therefore interesting to see what kind of results the method is able to produce in the case of a more complex model like the Hubbard model. To our great satisfaction the case of two sites with two electrons (half-filling) is solved exactly by the SCRPA. This may seem a little trivial but the fact is that other respectable approximations like 'GW' or the approach with the Gutzwiller wave function yield results still far from exact. With this promising starting point, the case of 6 sites at half filling was considered next. For that case, evidently, SCRPA does not any longer give exact results. However, they are still excellent for a wide range of values of the coupling constant U, covering for instance the phase transition region towards a state with non zero magnetisation. We consider this as a good success of the theory. Non the less the case of 4 sites (a plaquette), as indeed all cases with 4n sites at half filling, turned out to have a problem because of degeneracies at the Hartree Fock level. A generalisation of the present method, including in addition to the pairs, quadruples of Fermions operators (called second RPA) is proposed to also include exactly the plaquette case in our approach. This is therefore a very interesting perspective of the present work. (author)

Phase III Simplified Integrated Test (SIT) results - Space Station ECLSS testing

Science.gov (United States)

Roberts, Barry C.; Carrasquillo, Robyn L.; Dubiel, Melissa Y.; Ogle, Kathryn Y.; Perry, Jay L.; Whitley, Ken M.

1990-01-01

During 1989, phase III testing of Space Station Freedom Environmental Control and Life Support Systems (ECLSS) began at Marshall Space Flight Center (MSFC) with the Simplified Integrated Test. This test, conducted at the MSFC Core Module Integration Facility (CMIF), was the first time the four baseline air revitalization subsystems were integrated together. This paper details the results and lessons learned from the phase III SIT. Future plans for testing at the MSFC CMIF are also discussed.

On the calculation of soft phase space integral

International Nuclear Information System (INIS)

Zhu, Hua Xing

2015-01-01

The recent discovery of the Higgs boson at the LHC attracts much attention to the precise calculation of its production cross section in quantum chromodynamics. In this work, we discuss the calculation of soft triple-emission phase space integral, which is an essential ingredient in the recently calculated soft-virtual corrections to Higgs boson production at next-to-next-to-next-to-leading order. The main techniques used this calculation are method of differential equation for Feynman integral, and integration of harmonic polylogarithms.

Random-phase approximation and its extension for the O(2) anharmonic oscillator

International Nuclear Information System (INIS)

Aouissat, Z.; Martin, C.

2004-01-01

We apply the random-phase approximation (RPA) and its extension called renormalized RPA to the quantum anharmonic oscillator with an O(2) symmetry. We first obtain the equation for the RPA frequencies in the standard and in the renormalized RPAs using the equation-of-motion method. In the case where the ground state has a broken symmetry, we check the existence of a zero frequency in the standard and in the renormalized RPAs. Then we use a time-dependent approach where the standard-RPA frequencies are obtained as small oscillations around the static solution in the time-dependent Hartree-Bogolyubov equation. We draw the parallel between the two approaches. (orig.)

Random-phase approximation and its extension for the O(2) anharmonic oscillator

Energy Technology Data Exchange (ETDEWEB)

Aouissat, Z. [Institut fuer Kernphysik, Technische Hochschule Darmstadt, Schlossgarten 9, D-64289, Darmstadt (Germany); Martin, C. [Groupe de Physique Theorique, Institut de Physique Nucleaire, F-91406, Orsay Cedex (France)

2004-02-01

We apply the random-phase approximation (RPA) and its extension called renormalized RPA to the quantum anharmonic oscillator with an O(2) symmetry. We first obtain the equation for the RPA frequencies in the standard and in the renormalized RPAs using the equation-of-motion method. In the case where the ground state has a broken symmetry, we check the existence of a zero frequency in the standard and in the renormalized RPAs. Then we use a time-dependent approach where the standard-RPA frequencies are obtained as small oscillations around the static solution in the time-dependent Hartree-Bogolyubov equation. We draw the parallel between the two approaches. (orig.)

The random phase approximation

International Nuclear Information System (INIS)

Schuck, P.

1985-01-01

RPA is the adequate theory to describe vibrations of the nucleus of very small amplitudes. These vibrations can either be forced by an external electromagnetic field or can be eigenmodes of the nucleus. In a one dimensional analogue the potential corresponding to such eigenmodes of very small amplitude should be rather stiff otherwise the motion risks to be a large amplitude one and to enter a region where the approximation is not valid. This means that nuclei which are supposedly well described by RPA must have a very stable groundstate configuration (must e.g. be very stiff against deformation). This is usually the case for doubly magic nuclei or close to magic nuclei which are in the middle of proton and neutron shells which develop a very stable groundstate deformation; we take the deformation as an example but there are many other possible degrees of freedom as, for example, compression modes, isovector degrees of freedom, spin degrees of freedom, and many more

Application of the resonating Hartree-Fock random phase approximation to the Lipkin model

International Nuclear Information System (INIS)

Nishiyama, S.; Ishida, K.; Ido, M.

1996-01-01

We have applied the resonating Hartree-Fock (Res-HF) approximation to the exactly solvable Lipkin model by utilizing a newly developed orbital-optimization algorithm. The Res-HF wave function was superposed by two Slater determinants (S-dets) which give two corresponding local energy minima of monopole ''deformations''. The self-consistent Res-HF calculation gives an excellent ground-state correlation energy. There exist excitations due to small vibrational fluctuations of the orbitals and mixing coefficients around their stationary values. They are described by a new approximation called the resonating Hartree-Fock random phase approximation (Res-HF RPA). Matrices of the second-order variation of the Res-HF energy have the same structures as those of the Res-HF RPA's matrices. The quadratic steepest descent of the Res-HF energy in the orbital optimization is considered to include certainly both effects of RPA-type fluctuations up to higher orders and their mode-mode couplings. It is a very important and interesting task to apply the Res-HF RPA to the Lipkin model with the use of the stationary values and to prove the above argument. It turns out that the Res-HF RPA works far better than the usual HF RPA and the renormalized one. We also show some important features of the Res-HF RPA. (orig.)

Structural Integrity Inspection and Visualization System, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — Based on the successful feasibility demonstration in Phase I, Physical Optics Corporation (POC) proposes to continue the development of a novel Structural Integrity...

Toward an Integrated Psychological Approach - Phase II

International Development Research Centre (IDRC) Digital Library (Canada)

Trauma, Development and Peacebuilding : Toward an Integrated Psychological Approach - Phase II. Over the past decade, the peace, conflict and development community has begun to question the value of medicalized approaches such as post-traumatic stress disorder (PTSD) in dealing with aftermath of political violence ...

Roles of antinucleon degrees of freedom in the relativistic random phase approximation

Science.gov (United States)

Kurasawa, Haruki; Suzuki, Toshio

2015-11-01

The roles of antinucleon degrees of freedom in the relativistic random phase approximation (RPA) are investigated. The energy-weighted sum of the RPA transition strengths is expressed in terms of the double commutator between the excitation operator and the Hamiltonian, as in nonrelativistic models. The commutator, however, should not be calculated in the usual way in the local field theory, because, otherwise, the sum vanishes. The sum value obtained correctly from the commutator is infinite, owing to the Dirac sea. Most of the previous calculations take into account only some of the nucleon-antinucleon states, in order to avoid divergence problems. As a result, RPA states with negative excitation energy appear, which make the sum value vanish. Moreover, disregarding the divergence changes the sign of nuclear interactions in the RPA equation that describes the coupling of the nucleon particle-hole states with the nucleon-antinucleon states. Indeed, the excitation energies of the spurious state and giant monopole states in the no-sea approximation are dominated by these unphysical changes. The baryon current conservation can be described without touching the divergence problems. A schematic model with separable interactions is presented, which makes the structure of the relativistic RPA transparent.

Approximate anlysis of an unreliable $M/M/c$ retrial queue with phase merging algorithm.

Directory of Open Access Journals (Sweden)

faiza BELARBI

2016-06-01

Full Text Available In this paper, we investigate an approximate analysis of unreliable $M/M/c$ retrial queue with $c\\geq 3$ in which all servers are subject to breakdowns and repairs. Arriving customers that are unable to access a server due to congestion or failure can choose to enter a retrial orbit for an exponentially distributed amount of time and persistently attempt to gain access to a server, or abandon their request and depart the system. Once a customer is admitted to a service station, they remain there for a random duration until service is complete and then depart the system. However, if the server fails during service, i.e., an active breakdown, the customer may choose to abandon the system or proceed directly to the retrial orbit while the server begins repair immediately. In the unreliable model, there are no exact solutions when the number of servers exceeds one. Therefore, we seek to approximate the steady-state joint distribution of the number of customers in orbit and the status of the $c$ servers for the case of Markovian arrival and service times. Our approach to deriving the approximate steady-state probabilities employs a phase-merging algorithm.

State equation approximation of transfer matrices and its application to the phase domain calculation of electromagnetic transients

International Nuclear Information System (INIS)

Soysal, A.O.; Semlyen, A.

1994-01-01

A general methodology is presented for the state equation approximation of a multiple input-output linear system from transfer matrix data. A complex transformation matrix, obtained by eigen analysis at a fixed frequency, is used for diagonalization of the transfer matrix over the whole frequency range. A scalar estimation procedure is applied for identification of the modal transfer functions. The state equations in the original coordinates are obtained by inverse transformation. An iterative Gauss-Newton refinement process is used to reduce the overall error of the approximation. The developed methodology is applied to the phase domain modeling of untransposed transmission lines. The approach makes it possible to perform EMTP calculations directly in the phase domain. This results in conceptual simplification and savings in computation time since modal transformations are not needed in the sequences of the transient analysis. The presented procedure is compared with the conventional modal approach in terms of accuracy and computation time

Some remarks on off-shell scattering in the eikonal approximation and applications to semi-inclusive reactions

International Nuclear Information System (INIS)

Rinat, A.S.; Taragin, M.F.

1997-01-01

Using the Abel inversion for the eikonal phase as function of the interaction we derive simple integral relations between half and on-shell eikonal phases. A frequently used short-range approximation for the half off-shell phase and profile appears supported by the above-mentioned relation. We work out some examples and also address the half off-shell eikonal phase pertinent to a diffractive amplitude. The latter is relevant for a calculation of selected transparencies T of nuclei for a proton, knocked-out in selected semi-inclusive A(e,e'p)X reactions. Some numerical results for T are given. (orig.)

Random phase approximation applied to solids, molecules, and graphene-metal interfaces

DEFF Research Database (Denmark)

Olsen, Thomas; Thygesen, Kristian S.

2013-01-01

The random phase approximation (RPA) is attracting renewed interest as a universal and accurate method for first-principles total energy calculations. The RPA naturally accounts for long-range dispersive forces without compromising accuracy for short-range interactions making the RPA superior...... to semilocal and hybrid functionals in systems dominated by weak van der Waals or mixed covalent-dispersive interactions. In this work, we present plane-wave-based RPA calculations for a broad collection of systems with bond types ranging from strong covalent to van der Waals. Our main result is the RPA...... the RPA captures both the weak covalent and dispersive forces, which are equally important for these systems. We benchmark our implementation in the GPAW electronic structure code by calculating cohesive energies of graphite and a range of covalently bonded solids and molecules as well as the dissociation...

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

International Nuclear Information System (INIS)

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

1976-09-01

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

Surface wake in the random-phase approximation

International Nuclear Information System (INIS)

Garcia de Abajo, F.J.; Echenique, P.M.

1993-01-01

The scalar-electric-potential distribution set up by an ion traveling in the vicinity of a plane solid-vacuum interface, that is, the surface-wake potential, is investigated with the specular-reflection model to describe the response of the surface and with the random-phase approximation for the dielectric function of the bulk material. This permits us to address the study of the low-velocity surface wake: the static potential is found to have a dip at the position of the ion; that dip is shifted towards the direction opposite to the velocity vector for velocities smaller than the threshold of creation of plasmons (∼1.3v F ). Extensive numerical calculations are presented for an ion both inside and outside aluminum. Comparison to the results obtained with the plasmon-pole dielectric function indicates excellent agreement for velocities larger than ∼1.3v F . On the other side, the possibility of surface-wake riding is suggested, by analogy with bulk-wake riding postulated in the past. In it, the electron would be bound in the first trough of the surface-wake potential set up when the ion describes a grazing trajectory. The main feature introduced by the surface with respect to the bulk consists of allowing the use of ions of higher charge, reducing in this way the relative importance of the electron self-energy, and in addition, giving rise to larger binding energies. When the ion beam is directed along a special direction of an oriented crystal surface, the mechanism of resonant coherent excitation could provide a way for experimentally detecting this phenomenon through the emission of the bound electron with well-defined energy and around a preferential direction

Relativistic continuum random phase approximation in spherical nuclei

International Nuclear Information System (INIS)

Daoutidis, Ioannis

2009-01-01

Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)

Relativistic continuum random phase approximation in spherical nuclei

Energy Technology Data Exchange (ETDEWEB)

Daoutidis, Ioannis

2009-10-01

Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)

Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations

OpenAIRE

Ren, Xinguo; Rinke, Patrick; Tkatchenko, Alexandre; Scheffler, Matthias

2010-01-01

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice-evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals-leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior ca...

Carolina Offshore Wind Integration Case Study: Phases I and II Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Fallon, Christopher [Duke Energy Business Services, LLC, Charlotte, NC (United States); Piper, Orvane [Duke Energy Business Services, LLC, Charlotte, NC (United States); Hazelip, William [Duke Energy Business Services, LLC, Charlotte, NC (United States); Zhao, Yishan [Duke Energy Business Services, LLC, Charlotte, NC (United States); Salvador, Lisa [Duke Energy Business Services, LLC, Charlotte, NC (United States); Pruitt, Tom [Duke Energy Business Services, LLC, Charlotte, NC (United States); Peterson, Jeffrey [Duke Energy Business Services, LLC, Charlotte, NC (United States); Ashby, Rebecca [Duke Energy Business Services, LLC, Charlotte, NC (United States); Pierce, Bob [Duke Energy Business Services, LLC, Charlotte, NC (United States); Burner, Bob [Duke Energy Business Services, LLC, Charlotte, NC (United States); Daniel, John [ABB, Inc., Cary, NC (United States); Zhu, Jinxiang [ABB, Inc., Cary, NC (United States); Moore, Maria [ABB, Inc., Cary, NC (United States); Liu, Shu [ABB, Inc., Cary, NC (United States); Pennock, Ken [AWS Truepower, LLC, Albany, NY (United States); Frank, Jaclyn [AWS Truepower, LLC, Albany, NY (United States); Ibanez, Eduardo [National Renewable Energy Lab. (NREL), Golden, CO (United States); Heaney, Michael [National Renewable Energy Lab. (NREL), Golden, CO (United States); Bloom, Aaron [National Renewable Energy Lab. (NREL), Golden, CO (United States); Zhang, Yingchen [National Renewable Energy Lab. (NREL), Golden, CO (United States); Elliott, Dennis [National Renewable Energy Lab. (NREL), Golden, CO (United States); Seim, Harvey E. [Univ. of North Carolina, Chapel Hill, NC (United States)

2015-04-30

Duke Energy performed a phase 1 study to assess the impact of offshore wind development in the waters off the coasts of North Carolina and South Carolina. The study analyzed the impacts to the Duke Energy Carolinas electric power system of multiple wind deployment scenarios. Focusing on an integrated utility system in the Carolinas provided a unique opportunity to assess the impacts of offshore wind development in a region that has received less attention regarding renewables than others in the US. North Carolina is the only state in the Southeastern United States that currently has a renewable portfolio standard (RPS) which requires that 12.5% of the state’s total energy requirements be met with renewable resources by 2021. 12.5% of the state’s total energy requirements in 2021 equates to approximately 17,000 GWH of energy needed from renewable resources. Wind resources represent one of the ways to potentially meet this requirement. The study builds upon and augments ongoing work, including a study by UNC to identify potential wind development sites and the analysis of impacts to the regional transmission system performed by the NCTPC, an Order 890 planning entity of which DEC is a member. Furthermore, because the region does not have an independent system operator (ISO) or regional transmission organization (RTO), the study will provide additional information unique to non-RTO/ISO systems. The Phase 2 study builds on the results of Phase 1 and investigates the dynamic stability of the electrical network in Task 4, the operating characteristics of the wind turbines as they impact operating reserve requirements of the DEC utility in Task 5, and the production cost of integrating the offshore wind resources into the DEC generation fleet making comparisons to future planned operation without the addition of the wind resources in Task 6.

On the classical limit of Berry's phase integrable systems

International Nuclear Information System (INIS)

Asch, J.

1990-01-01

Berry's Phase is given by integration of a characteristic two form. We consider integrable systems defined by Weyl quantized classical Hamiltonians. It is shown that the limit of ℎ/i times this two form is the curvature of the classical connection whose holonomy are the Hannay angles. A result of this type was derived by Berry [B2]. (orig.)

Towards a phase-locked superconducting integrated receiver: prospects and limitations

DEFF Research Database (Denmark)

Koshelets, V.P.; Shitov, S.V.; Dmitriev, P.N.

2002-01-01

Presently a Josephson flux flow oscillator (FFO) appears to be the most developed superconducting on-chip local oscillator for integrated submillimeter-wave SIS receivers. The feasibility of phase locking the FFO to an external reference oscillator at all frequencies of interest has to be proven...... compared to theory in order to optimize the FFO design. The influence of FFO parameters on radiation linewidth, particularly the effect of the differential resistances associated both with the bias current and the applied magnetic field, has been studied. Two integrated receiver concepts with phase...

Approximate solution of space and time fractional higher order phase field equation

Science.gov (United States)

Shamseldeen, S.

2018-03-01

This paper is concerned with a class of space and time fractional partial differential equation (STFDE) with Riesz derivative in space and Caputo in time. The proposed STFDE is considered as a generalization of a sixth-order partial phase field equation. We describe the application of the optimal homotopy analysis method (OHAM) to obtain an approximate solution for the suggested fractional initial value problem. An averaged-squared residual error function is defined and used to determine the optimal convergence control parameter. Two numerical examples are studied, considering periodic and non-periodic initial conditions, to justify the efficiency and the accuracy of the adopted iterative approach. The dependence of the solution on the order of the fractional derivative in space and time and model parameters is investigated.

All-optical phase modulation for integrated interferometric biosensors.

Science.gov (United States)

Dante, Stefania; Duval, Daphné; Sepúlveda, Borja; González-Guerrero, Ana Belen; Sendra, José Ramón; Lechuga, Laura M

2012-03-26

We present the theoretical and the experimental implementation of an all-optical phase modulation system in integrated Mach-Zehnder Interferometers to solve the drawbacks related to the periodic nature of the interferometric signal. Sensor phase is tuned by modulating the emission wavelength of low-cost commercial laser diodes by changing their output power. FFT deconvolution of the signal allows for direct phase readout, immune to sensitivity variations and to light intensity fluctuations. This simple phase modulation scheme increases the signal-to-noise ratio of the measurements in one order of magnitude, rendering in a sensor with a detection limit of 1.9·10⁻⁷ RIU. The viability of the all-optical modulation approach is demonstrated with an immunoassay detection as a biosensing proof of concept.

Two alternate proofs of Wang's lune formula for sparse distributed memory and an integral approximation

Science.gov (United States)

Jaeckel, Louis A.

1988-01-01

In Kanerva's Sparse Distributed Memory, writing to and reading from the memory are done in relation to spheres in an n-dimensional binary vector space. Thus it is important to know how many points are in the intersection of two spheres in this space. Two proofs are given of Wang's formula for spheres of unequal radii, and an integral approximation for the intersection in this case.

Trade-off bounds for the Pareto surface approximation in multi-criteria IMRT planning

International Nuclear Information System (INIS)

Serna, J I; Monz, M; Kuefer, K H; Thieke, C

2009-01-01

One approach to multi-criteria IMRT planning is to automatically calculate a data set of Pareto-optimal plans for a given planning problem in a first phase, and then interactively explore the solution space and decide on the clinically best treatment plan in a second phase. The challenge of computing the plan data set is to ensure that all clinically meaningful plans are covered and that as many clinically irrelevant plans as possible are excluded to keep computation times within reasonable limits. In this work, we focus on the approximation of the clinically relevant part of the Pareto surface, the process that constitutes the first phase. It is possible that two plans on the Pareto surface have a small, clinically insignificant difference in one criterion and a significant difference in another criterion. For such cases, only the plan that is clinically clearly superior should be included into the data set. To achieve this during the Pareto surface approximation, we propose to introduce bounds that restrict the relative quality between plans, the so-called trade-off bounds. We show how to integrate these trade-off bounds into the approximation scheme and study their effects. The proposed scheme is applied to two artificial cases and one clinical case of a paraspinal tumor. For all cases, the quality of the Pareto surface approximation is measured with respect to the number of computed plans, and the range of values occurring in the approximation for different criteria is compared. Through enforcing trade-off bounds, the scheme disregards clinically irrelevant plans during the approximation. Thereby, the number of plans necessary to achieve a good approximation quality can be significantly reduced. Thus, trade-off bounds are an effective tool to focus the planning and to reduce computation time.

Trade-off bounds for the Pareto surface approximation in multi-criteria IMRT planning.

Science.gov (United States)

Serna, J I; Monz, M; Küfer, K H; Thieke, C

2009-10-21

One approach to multi-criteria IMRT planning is to automatically calculate a data set of Pareto-optimal plans for a given planning problem in a first phase, and then interactively explore the solution space and decide on the clinically best treatment plan in a second phase. The challenge of computing the plan data set is to ensure that all clinically meaningful plans are covered and that as many clinically irrelevant plans as possible are excluded to keep computation times within reasonable limits. In this work, we focus on the approximation of the clinically relevant part of the Pareto surface, the process that constitutes the first phase. It is possible that two plans on the Pareto surface have a small, clinically insignificant difference in one criterion and a significant difference in another criterion. For such cases, only the plan that is clinically clearly superior should be included into the data set. To achieve this during the Pareto surface approximation, we propose to introduce bounds that restrict the relative quality between plans, the so-called trade-off bounds. We show how to integrate these trade-off bounds into the approximation scheme and study their effects. The proposed scheme is applied to two artificial cases and one clinical case of a paraspinal tumor. For all cases, the quality of the Pareto surface approximation is measured with respect to the number of computed plans, and the range of values occurring in the approximation for different criteria is compared. Through enforcing trade-off bounds, the scheme disregards clinically irrelevant plans during the approximation. Thereby, the number of plans necessary to achieve a good approximation quality can be significantly reduced. Thus, trade-off bounds are an effective tool to focus the planning and to reduce computation time.

Relativistic quasiparticle random phase approximation with a separable pairing force

International Nuclear Information System (INIS)

Tian Yuan; Ma Zhongyu; Ring Peter

2009-01-01

In our previous work, we introduced a separable pairing force for relativistic Hartree-Bogoliubov calculations. This force was adjusted to reproduce the pairing properties of the Gogny force in nuclear matter. By using the well known techniques of Talmi and Moshinsky it can be expanded in a series of separable terms and converges quickly after a few terms. It was found that the pairing properties can be depicted on almost the same footing as the original pairing interaction, not only in nuclear matter, but also in finite nuclei. In this study, we construct a relativistic quasiparticle random phase approximation (RQRPA) with this separable pairing interaction and calculate the excitation energies of the first excited 2 + states and reduced B(E2; 0 + →2 + ) transition rates for a chain of Sn isotopes in RQRPA. Compared with the results of the full Gogny force, we find that this simple separable pairing interaction can describe the pairing properties of the excited vibrational states as well as the original pairing interaction. (authors)

Propagation of coherent light pulses with PHASE

Science.gov (United States)

Bahrdt, J.; Flechsig, U.; Grizzoli, W.; Siewert, F.

2014-09-01

The current status of the software package PHASE for the propagation of coherent light pulses along a synchrotron radiation beamline is presented. PHASE is based on an asymptotic expansion of the Fresnel-Kirchhoff integral (stationary phase approximation) which is usually truncated at the 2nd order. The limits of this approximation as well as possible extensions to higher orders are discussed. The accuracy is benchmarked against a direct integration of the Fresnel-Kirchhoff integral. Long range slope errors of optical elements can be included by means of 8th order polynomials in the optical element coordinates w and l. Only recently, a method for the description of short range slope errors has been implemented. The accuracy of this method is evaluated and examples for realistic slope errors are given. PHASE can be run either from a built-in graphical user interface or from any script language. The latter method provides substantial flexibility. Optical elements including apertures can be combined. Complete wave packages can be propagated, as well. Fourier propagators are included in the package, thus, the user may choose between a variety of propagators. Several means to speed up the computation time were tested - among them are the parallelization in a multi core environment and the parallelization on a cluster.

Self-consistent Random Phase Approximation applied to a schematic model of the field theory

International Nuclear Information System (INIS)

Bertrand, Thierry

1998-01-01

The self-consistent Random Phase Approximation (SCRPA) is a method allowing in the mean-field theory inclusion of the correlations in the ground and excited states. It has the advantage of not violating the Pauli principle in contrast to RPA, that is based on the quasi-bosonic approximation; in addition, numerous applications in different domains of physics, show a possible variational character. However, the latter should be formally demonstrated. The first model studied with SCRPA is the anharmonic oscillator in the region where one of its symmetries is spontaneously broken. The ground state energy is reproduced by SCRPA more accurately than RPA, with no violation of the Ritz variational principle, what is not the case for the latter approximation. The success of SCRPA is the the same in case of ground state energy for a model mixing bosons and fermions. At the transition point the SCRPA is correcting RPA drastically, but far from this region the correction becomes negligible, both methods being of similar precision. In the deformed region in the case of RPA a spurious mode occurred due to the microscopical character of the model.. The SCRPA may also reproduce this mode very accurately and actually it coincides with an excitation in the exact spectrum

Hybrid Approximate Dynamic Programming Approach for Dynamic Optimal Energy Flow in the Integrated Gas and Power Systems

DEFF Research Database (Denmark)

Shuai, Hang; Ai, Xiaomeng; Wen, Jinyu

2017-01-01

This paper proposes a hybrid approximate dynamic programming (ADP) approach for the multiple time-period optimal power flow in integrated gas and power systems. ADP successively solves Bellman's equation to make decisions according to the current state of the system. So, the updated near future...

Correlated random-phase approximation from densities and in-medium matrix elements

Energy Technology Data Exchange (ETDEWEB)

Trippel, Richard; Roth, Robert [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany)

2016-07-01

The random-phase approximation (RPA) as well as the second RPA (SRPA) are established tools for the study of collective excitations in nuclei. Addressing the well known lack of correlations, we derived a universal framework for a fully correlated RPA based on the use of one- and two-body densities. We apply densities from coupled cluster theory and investigate the impact of correlations. As an alternative approach to correlations we use matrix elements transformed via in-medium similarity renormalization group (IM-SRG) in combination with RPA and SRPA. We find that within SRPA the use of IM-SRG matrix elements leads to the disappearance of instabilities of low-lying states. For the calculations we use normal-ordered two- plus three-body interactions derived from chiral effective field theory. We apply different Hamiltonians to a number of doubly-magic nuclei and calculate electric transition strengths.

Random phase approximations for the screening function in high Tc superconductors

International Nuclear Information System (INIS)

Lopez-Aguilar, F.; Costa-Quintana, J.; Sanchez, A.; Puig, T.; Aurell, M.T.; Martinez, L.M.; Munoz, J.S.

1990-01-01

This paper reports on the electronic transferences from the CuO 2 sheets toward the CuO 3 linear chain, which locate electrons in the orbitals p y /p z of O4/O1 and d z 2 -y 2 of Cu1, and holes in the orbitals d x 2 -y 2 - P z /p y of Cu2 - P2/O3. These holes states present large interatomic overlapping. In this paper, we determine the screening function within the random phase approximation applied to the high-T c superconductors. This screening function is vanishing for determined values of the frequency which correspond to renormalized plasmon frequencies. These frequencies depends on the band parameters and their knowledge is essential for determining the self energy. This self energy is deduced and it contain independent terms for each of the channels for the localization

Relativistic quasiparticle random-phase approximation calculation of total muon capture rates

International Nuclear Information System (INIS)

Marketin, T.; Paar, N.; Niksic, T.; Vretenar, D.

2009-01-01

The relativistic proton-neutron quasiparticle random phase approximation (pn-RQRPA) is applied in the calculation of total muon capture rates on a large set of nuclei from 12 C to 244 Pu, for which experimental values are available. The microscopic theoretical framework is based on the relativistic Hartree-Bogoliubov (RHB) model for the nuclear ground state, and transitions to excited states are calculated using the pn-RQRPA. The calculation is fully consistent, i.e., the same interactions are used both in the RHB equations that determine the quasiparticle basis, and in the matrix equations of the pn-RQRPA. The calculated capture rates are sensitive to the in-medium quenching of the axial-vector coupling constant. By reducing this constant from its free-nucleon value g A =1.262 by 10% for all multipole transitions, the calculation reproduces the experimental muon capture rates to better than 10% accuracy.

Hubbard-U corrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations

DEFF Research Database (Denmark)

Patrick, Christopher; Thygesen, Kristian Sommer

2016-01-01

In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic density and noninteracting response function. Here we...... investigate the effect of including a Hubbard-U term in this single-particle Hamiltonian, to better describe the on-site correlation of 3d electrons in the transitionmetal compounds ZnS, TiO2, and NiO.We find that the RPA lattice constants are essentially independent of U, despite large changes...... in the underlying electronic structure. We further demonstrate that the non-selfconsistent RPA total energies of these materials have minima at nonzero U. Our RPA calculations find the rutile phase of TiO2 to be more stable than anatase independent of U, a result which is consistent with experiments...

Reduced order generalized integrators with phase compensation for three-phase active power filter

DEFF Research Database (Denmark)

Xie, Chuan; Li, Kai; Zhao, Xin

2017-01-01

-order generalized integrators (SOGIs) are utilized to achieve those objectives. However, it will increase the computational burden due to calculation of the multiple paralleled SOGIs. To overcome this issue, phase compensated reduced order generalized integrator (ROGI) is proposed in this paper. Compared...... paralleled ROGIs in positive and negative resonant frequencies. Moreover, the controller parameters are designed and optimized by means of Nyquist diagrams and sensitivity functions in z-domain for directly digital implementation. Finally, the laboratory tests of APF are performed to validate the feasibility...

The Kubo-Greenwood formula as a result of the random phase approximation for the electrons of the metal

Science.gov (United States)

Ivliev, S. V.

2017-12-01

For calculation of short laser pulse absorption in metal the imaginary part of permittivity, which is simply related to the conductivity, is required. Currently to find the static and dynamic conductivity the Kubo-Greenwood formula is most commonly used. It describes the electromagnetic energy absorption in the one-electron approach. In the present study, this formula is derived directly from the expression for the permittivity expression in the random phase approximation, which in fact is equivalent to the method of the mean field. The detailed analysis of the role of electron-electron interaction in the calculation of the matrix elements of the velocity operator is given. It is shown that in the one-electron random phase approximation the single-particle conductive electron wave functions in the field of fixed ions should be used. The possibility of considering the exchange and correlation effects by means of an amendment to a local function field is discussed.

Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects.

Science.gov (United States)

Mussard, Bastien; Rocca, Dario; Jansen, Georg; Ángyán, János G

2016-05-10

Starting from the general expression for the ground state correlation energy in the adiabatic-connection fluctuation-dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to calculate the direct random phase approximation (dRPA) correlation energy, can be used for alternative RPA expressions including exchange effects. Within this famework, the ACFDT analog of the second order screened exchange (SOSEX) approximation leads to a logarithmic formula for the correlation energy similar to the direct RPA expression. Alternatively, the contribution of the exchange can be included in the kernel used to evaluate the response functions. In this case, the use of an approximate kernel is crucial to simplify the formalism and to obtain a correlation energy in logarithmic form. Technical details of the implementation of these methods are discussed, and it is shown that one can take advantage of density fitting or Cholesky decomposition techniques to improve the computational efficiency; a discussion on the numerical quadrature made on the frequency variable is also provided. A series of test calculations on atomic correlation energies and molecular reaction energies shows that exchange effects are instrumental for improvement over direct RPA results.

The Western Wind and Solar Integration Study Phase 2

Energy Technology Data Exchange (ETDEWEB)

Lew, Debra [National Renewable Energy Lab. (NREL), Golden, CO (United States); Brinkman, Greg [National Renewable Energy Lab. (NREL), Golden, CO (United States); Ibanez, E. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Florita, A. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Heaney, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hodge, B. -M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hummon, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Stark, G. [National Renewable Energy Lab. (NREL), Golden, CO (United States); King, J. [RePPAE; Lefton, S. A. [Intertek-APTECH, Houston, TX (United States); Kumar, N. [Intertek-APTECH, Houston, TX (United States); Agan, D. [Intertek-APTECH, Houston, TX (United States); Jordan, G. [GE Energy, Fairfield, CT (United States); Venkataraman, S. [GE Energy, Fairfield, CT (United States)

2013-09-01

The electric grid is a highly complex, interconnected machine, and changing one part of the grid can have consequences elsewhere. Adding wind and solar affects the operation of the other power plants and adding high penetrations can induce cycling of fossil-fueled generators. Cycling leads to wear-and-tear costs and changes in emissions. Phase 2 of the Western Wind and Solar Integration Study (WWSIS-2) evaluated these costs and emissions and simulated grid operations for a year to investigate the detailed impact of wind and solar on the fossil-fueled fleet. This built on Phase 1, one of the largest wind and solar integration studies ever conducted, which examined operational impacts of high wind and solar penetrations in the West(GE Energy 2010).

The Western Wind and Solar Integration Study Phase 2

Energy Technology Data Exchange (ETDEWEB)

Lew, D.; Brinkman, G.; Ibanez, E.; Hodge, B. M.; Hummon, M.; Florita, A.; Heaney, M.

2013-09-01

The electric grid is a highly complex, interconnected machine, and changing one part of the grid can have consequences elsewhere. Adding wind and solar affects the operation of the other power plants and adding high penetrations can induce cycling of fossil-fueled generators. Cycling leads to wear-and-tear costs and changes in emissions. Phase 2 of the Western Wind and Solar Integration Study (WWSIS-2) evaluated these costs and emissions and simulated grid operations for a year to investigate the detailed impact of wind and solar on the fossil-fueled fleet. This built on Phase 1, one of the largest wind and solar integration studies ever conducted, which examined operational impacts of high wind and solar penetrations in the West.

Western Wind and Solar Integration Study: Phase 2 (Presentation)

Energy Technology Data Exchange (ETDEWEB)

Lew, D.; Brinkman, G.; Ibanez, E.; Lefton, S.; Kumar, N.; Venkataraman, S.; Jordan, G.

2013-09-01

This presentation summarizes the scope and results of the Western Wind and Solar Integration Study Phase 2, which examined operational impacts of high penetrations of variable renewable generation in the West.

The time-dependent relativistic mean-field theory and the random phase approximation

International Nuclear Information System (INIS)

Ring, P.; Ma, Zhong-yu; Van Giai, Nguyen; Vretenar, D.; Wandelt, A.; Cao, Li-gang

2001-01-01

The Relativistic Random Phase Approximation (RRPA) is derived from the Time-Dependent Relativistic Mean-Field (TD RMF) theory in the limit of small amplitude oscillations. In the no-sea approximation of the RMF theory, the RRPA configuration space includes not only the usual particle-hole ph-states, but also αh-configurations, i.e. pairs formed from occupied states in the Fermi sea and empty negative-energy states in the Dirac sea. The contribution of the negative-energy states to the RRPA matrices is examined in a schematic model, and the large effect of Dirac-sea states on isoscalar strength distributions is illustrated for the giant monopole resonance in 116 Sn. It is shown that, because the matrix elements of the time-like component of the vector-meson fields which couple the αh-configurations with the ph-configurations are strongly reduced with respect to the corresponding matrix elements of the isoscalar scalar meson field, the inclusion of states with unperturbed energies more than 1.2 GeV below the Fermi energy has a pronounced effect on giant resonances with excitation energies in the MeV region. The influence of nuclear magnetism, i.e. the effect of the spatial components of the vector fields is examined, and the difference between the nonrelativistic and relativistic RPA predictions for the nuclear matter compression modulus is explained

Thermodynamics and structure of liquid metals from a consistent optimized random phase approximation

International Nuclear Information System (INIS)

Akinlade, O.; Badirkhan, Z.; Pastore, G.

2000-05-01

We study thermodynamics and structural properties of several liquid metals to assess the validity of the generalized non-local model potential (GNMP) of Li et. al. [J.Phys. F16,309 (1986)]. By using a new thermodynamically consistent version of the optimized random phase approximation (ORPA), especially adapted to continuous reference potentials, we improve our previous results obtained within the variational approach based on the Gibbs - Bogoliubov inequality. Hinging on the unified and very accurate evaluation of structure factors and thermodynamic quantities provided by the ORPA, we find that the GNMP yields satisfactory results for the alkali metals, however, those for the polyvalent metals point to a substantial inadequacy of the GNMP for high valence systems. (author)

Development of highly accurate approximate scheme for computing the charge transfer integral

Energy Technology Data Exchange (ETDEWEB)

Pershin, Anton; Szalay, Péter G. [Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest (Hungary)

2015-08-21

The charge transfer integral is a key parameter required by various theoretical models to describe charge transport properties, e.g., in organic semiconductors. The accuracy of this important property depends on several factors, which include the level of electronic structure theory and internal simplifications of the applied formalism. The goal of this paper is to identify the performance of various approximate approaches of the latter category, while using the high level equation-of-motion coupled cluster theory for the electronic structure. The calculations have been performed on the ethylene dimer as one of the simplest model systems. By studying different spatial perturbations, it was shown that while both energy split in dimer and fragment charge difference methods are equivalent with the exact formulation for symmetrical displacements, they are less efficient when describing transfer integral along the asymmetric alteration coordinate. Since the “exact” scheme was found computationally expensive, we examine the possibility to obtain the asymmetric fluctuation of the transfer integral by a Taylor expansion along the coordinate space. By exploring the efficiency of this novel approach, we show that the Taylor expansion scheme represents an attractive alternative to the “exact” calculations due to a substantial reduction of computational costs, when a considerably large region of the potential energy surface is of interest. Moreover, we show that the Taylor expansion scheme, irrespective of the dimer symmetry, is very accurate for the entire range of geometry fluctuations that cover the space the molecule accesses at room temperature.

Experimental Investigation of Triplet Correlation Approximations for Fluid Water.

Science.gov (United States)

Pallewela, Gayani N; Ploetz, Elizabeth A; Smith, Paul E

2018-08-25

Triplet correlations play a central role in our understanding of fluids and their properties. Of particular interest is the relationship between the pair and triplet correlations. Here we use a combination of Fluctuation Solution Theory and experimental pair radial distribution functions to investigate the accuracy of the Kirkwood Superposition Approximation (KSA), as given by integrals over the relevant pair and triplet correlation functions, at a series of state points for pure water using only experimental quantities. The KSA performs poorly, in agreement with a variety of other studies. Several additional approximate relationships between the pair and triplet correlations in fluids are also investigated and generally provide good agreement for the fluid thermodynamics for regions of the phase diagram where the compressibility is small. A simple power law relationship between the pair and triplet fluctuations is particularly successful for state points displaying low to moderately high compressibilities.

Assessment of correlation energies based on the random-phase approximation

International Nuclear Information System (INIS)

Paier, Joachim; Ren, Xinguo; Rinke, Patrick; Scheffler, Matthias; Scuseria, Gustavo E; Grüneis, Andreas; Kresse, Georg

2012-01-01

The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought the Kohn-Sham (KS) density functional theory one step closer towards a universal, ‘general purpose first-principles method’. In an effort to systematically assess the influence of several correlation energy contributions beyond RPA, this paper presents dissociation energies of small molecules and solids, activation energies for hydrogen transfer and non-hydrogen transfer reactions, as well as reaction energies for a number of common test sets. We benchmark EX + RPA and several flavors of energy functionals going beyond it: second-order screened exchange (SOSEX), single-excitation (SE) corrections, renormalized single-excitation (rSE) corrections and their combinations. Both the SE correction and the SOSEX contribution to the correlation energy significantly improve on the notorious tendency of EX + RPA to underbind. Surprisingly, activation energies obtained using EX + RPA based on a KS reference alone are remarkably accurate. RPA + SOSEX + rSE provides an equal level of accuracy for reaction as well as activation energies and overall gives the most balanced performance, because of which it can be applied to a wide range of systems and chemical reactions. (paper)

Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation.

Science.gov (United States)

van Aggelen, Helen; Yang, Yang; Yang, Weitao

2014-05-14

Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H2, and eliminates delocalization errors in H2(+) and other single-bond systems. It gives surprisingly good non-bonded interaction energies--competitive with the ph-RPA--with the correct R(-6) asymptotic decay as a function of the separation R, which we argue is mainly attributable to its correct second-order energy term. While the pp-RPA tends to underestimate absolute correlation energies, it gives good relative energies: much better atomization energies than the ph-RPA, as it has no tendency to underbind, and reaction energies of similar quality. The adiabatic connection in terms of pairing matrix fluctuation paves the way for promising new density functional approximations.

Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation

International Nuclear Information System (INIS)

Aggelen, Helen van; Yang, Yang; Yang, Weitao

2014-01-01

Despite their unmatched success for many applications, commonly used local, semi-local, and hybrid density functionals still face challenges when it comes to describing long-range interactions, static correlation, and electron delocalization. Density functionals of both the occupied and virtual orbitals are able to address these problems. The particle-hole (ph-) Random Phase Approximation (RPA), a functional of occupied and virtual orbitals, has recently known a revival within the density functional theory community. Following up on an idea introduced in our recent communication [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)], we formulate more general adiabatic connections for the correlation energy in terms of pairing matrix fluctuations described by the particle-particle (pp-) propagator. With numerical examples of the pp-RPA, the lowest-order approximation to the pp-propagator, we illustrate the potential of density functional approximations based on pairing matrix fluctuations. The pp-RPA is size-extensive, self-interaction free, fully anti-symmetric, describes the strong static correlation limit in H 2 , and eliminates delocalization errors in H 2 + and other single-bond systems. It gives surprisingly good non-bonded interaction energies – competitive with the ph-RPA – with the correct R −6 asymptotic decay as a function of the separation R, which we argue is mainly attributable to its correct second-order energy term. While the pp-RPA tends to underestimate absolute correlation energies, it gives good relative energies: much better atomization energies than the ph-RPA, as it has no tendency to underbind, and reaction energies of similar quality. The adiabatic connection in terms of pairing matrix fluctuation paves the way for promising new density functional approximations

Aspects of the Color Flavor Locking phase of QCD in the Nambu-Jona Lasinio approximation

CERN Document Server

Casalbuoni, Roberto; Nardulli, Giuseppe; Ruggieri, Marco

2003-01-01

We study two aspects of the CFL phase of QCD in the NJL approximation. The first one is the issue of the dependence on \\mu of the ultraviolet cutoff in the gap equation, which is solved allowing a running coupling constant. The second one is the dependence of the gap on the strange quark mass; using the high density effective theory we perform an expansion in the parameter (m_s/\\mu)^2 after checking that its numerical validity is very good already at first order.

Highly integrated optical phased arrays: photonic integrated circuits for optical beam shaping and beam steering

Directory of Open Access Journals (Sweden)

Heck Martijn J.R.

2016-06-01

Full Text Available Technologies for efficient generation and fast scanning of narrow free-space laser beams find major applications in three-dimensional (3D imaging and mapping, like Lidar for remote sensing and navigation, and secure free-space optical communications. The ultimate goal for such a system is to reduce its size, weight, and power consumption, so that it can be mounted on, e.g. drones and autonomous cars. Moreover, beam scanning should ideally be done at video frame rates, something that is beyond the capabilities of current opto-mechanical systems. Photonic integrated circuit (PIC technology holds the promise of achieving low-cost, compact, robust and energy-efficient complex optical systems. PICs integrate, for example, lasers, modulators, detectors, and filters on a single piece of semiconductor, typically silicon or indium phosphide, much like electronic integrated circuits. This technology is maturing fast, driven by high-bandwidth communications applications, and mature fabrication facilities. State-of-the-art commercial PICs integrate hundreds of elements, and the integration of thousands of elements has been shown in the laboratory. Over the last few years, there has been a considerable research effort to integrate beam steering systems on a PIC, and various beam steering demonstrators based on optical phased arrays have been realized. Arrays of up to thousands of coherent emitters, including their phase and amplitude control, have been integrated, and various applications have been explored. In this review paper, I will present an overview of the state of the art of this technology and its opportunities, illustrated by recent breakthroughs.

Highly integrated optical phased arrays: photonic integrated circuits for optical beam shaping and beam steering

Science.gov (United States)

Heck, Martijn J. R.

2017-01-01

Technologies for efficient generation and fast scanning of narrow free-space laser beams find major applications in three-dimensional (3D) imaging and mapping, like Lidar for remote sensing and navigation, and secure free-space optical communications. The ultimate goal for such a system is to reduce its size, weight, and power consumption, so that it can be mounted on, e.g. drones and autonomous cars. Moreover, beam scanning should ideally be done at video frame rates, something that is beyond the capabilities of current opto-mechanical systems. Photonic integrated circuit (PIC) technology holds the promise of achieving low-cost, compact, robust and energy-efficient complex optical systems. PICs integrate, for example, lasers, modulators, detectors, and filters on a single piece of semiconductor, typically silicon or indium phosphide, much like electronic integrated circuits. This technology is maturing fast, driven by high-bandwidth communications applications, and mature fabrication facilities. State-of-the-art commercial PICs integrate hundreds of elements, and the integration of thousands of elements has been shown in the laboratory. Over the last few years, there has been a considerable research effort to integrate beam steering systems on a PIC, and various beam steering demonstrators based on optical phased arrays have been realized. Arrays of up to thousands of coherent emitters, including their phase and amplitude control, have been integrated, and various applications have been explored. In this review paper, I will present an overview of the state of the art of this technology and its opportunities, illustrated by recent breakthroughs.

Substrate Integrated Waveguide Based Phase Shifter and Phased Array in a Ferrite Low Temperature Co-fired Ceramic Package

KAUST Repository

Nafe, Ahmed A.

2014-01-01

that controls the phase of the signal passing through it. Among the technologies used to realize this device, traditional ferrite waveguide phase shifters offer the best performance. However, they are bulky and difficult to integrate with other system components

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.

International Conference Approximation Theory XIV

CERN Document Server

Schumaker, Larry

2014-01-01

This volume developed from papers presented at the international conference Approximation Theory XIV,  held April 7–10, 2013 in San Antonio, Texas. The proceedings contains surveys by invited speakers, covering topics such as splines on non-tensor-product meshes, Wachspress and mean value coordinates, curvelets and shearlets, barycentric interpolation, and polynomial approximation on spheres and balls. Other contributed papers address a variety of current topics in approximation theory, including eigenvalue sequences of positive integral operators, image registration, and support vector machines. This book will be of interest to mathematicians, engineers, and computer scientists working in approximation theory, computer-aided geometric design, numerical analysis, and related approximation areas.

MWP phase shifters integrated in PbS-SU8 waveguides.

Science.gov (United States)

Hervás, Javier; Suárez, Isaac; Pérez, Joaquín; Cantó, Pedro J Rodríguez; Abargues, Rafael; Martínez-Pastor, Juan P; Sales, Salvador; Capmany, José

2015-06-01

We present new kind of microwave phase shifters (MPS) based on dispersion of PbS colloidal quantum dots (QDs) in commercially available photoresist SU8 after a ligand exchange process. Ridge PbS-SU8 waveguides are implemented by integration of the nanocomposite in a silicon platform. When these waveguides are pumped at wavelengths below the band-gap of the PbS QDs, a phase shift in an optically conveyed (at 1550 nm) microwave signal is produced. The strong light confinement produced in the ridge waveguides allows an improvement of the phase shift as compared to the case of planar structures. Moreover, a novel ridge bilayer waveguide composed by a PbS-SU8 nanocomposite and a SU8 passive layer is proposed to decrease the propagation losses of the pump beam and in consequence to improve the microwave phase shift up to 36.5° at 25 GHz. Experimental results are reproduced by a theoretical model based on the slow light effect produced in a semiconductor waveguide due to the coherent population oscillations. The resulting device shows potential benefits respect to the current MPS technologies since it allows a fast tunability of the phase shift and a high level of integration due to its small size.

Approximate symmetries of Hamiltonians

Science.gov (United States)

Chubb, Christopher T.; Flammia, Steven T.

2017-08-01

We explore the relationship between approximate symmetries of a gapped Hamiltonian and the structure of its ground space. We start by considering approximate symmetry operators, defined as unitary operators whose commutators with the Hamiltonian have norms that are sufficiently small. We show that when approximate symmetry operators can be restricted to the ground space while approximately preserving certain mutual commutation relations. We generalize the Stone-von Neumann theorem to matrices that approximately satisfy the canonical (Heisenberg-Weyl-type) commutation relations and use this to show that approximate symmetry operators can certify the degeneracy of the ground space even though they only approximately form a group. Importantly, the notions of "approximate" and "small" are all independent of the dimension of the ambient Hilbert space and depend only on the degeneracy in the ground space. Our analysis additionally holds for any gapped band of sufficiently small width in the excited spectrum of the Hamiltonian, and we discuss applications of these ideas to topological quantum phases of matter and topological quantum error correcting codes. Finally, in our analysis, we also provide an exponential improvement upon bounds concerning the existence of shared approximate eigenvectors of approximately commuting operators under an added normality constraint, which may be of independent interest.

Western Wind and Solar Integration Study Phase 2 (Presentation)

Energy Technology Data Exchange (ETDEWEB)

Lew, D.; Brinkman, G.; Ibanez, E.; Kumar, N.; Lefton, S.; Jordan, G.; Venkataraman, S.; King, J.

2013-06-01

This presentation accompanies Phase 2 of the Western Wind and Solar Integration Study, a follow-on to Phase 1, which examined the operational impacts of high penetrations of variable renewable generation on the electric power system in the West and was one of the largest variable generation studies to date. High penetrations of variable generation can induce cycling of fossil-fueled generators. Cycling leads to wear-and-tear costs and changes in emissions. Phase 2 calculated these costs and emissions, and simulated grid operations for a year to investigate the detailed impact of variable generation on the fossil-fueled fleet. The presentation highlights the scope of the study and results.

Phase Preference by Active, Acetate-Utilizing Bacteria at the Rifle, CO Integrated Field Research Challenge Site

Energy Technology Data Exchange (ETDEWEB)

Kerkhof, L.; Williams, K.H.; Long, P.E.; McGuinness, L.

2011-02-21

Previous experiments at the Rifle, Colorado Integrated Field Research Challenge (IFRC) site demonstrated that field-scale addition of acetate to groundwater reduced the ambient soluble uranium concentration. In this report, sediment samples collected before and after acetate field addition were used to assess the active microbes via {sup 13}C acetate stable isotope probing on 3 phases [coarse sand, fines (8-approximately 150 {micro}m), groundwater (0.2-8 {micro}m)] over a 24-day time frame. TRFLP results generally indicated a stronger signal in {sup 13}C-DNA in the 'fines' fraction compared to the sand and groundwater. Before the field-scale acetate addition, a Geobacter-like group primarily synthesized {sup 13}C-DNA in the groundwater phase, an alpha Proteobacterium primarily grew on the fines/sands, and an Acinetobacter sp. and Decholoromonas-like OTU utilized much of the {sup 13}C acetate in both groundwater and particle-associated phases. At the termination of the field-scale acetate addition, the Geobacter-like species was active on the solid phases rather than the groundwater, while the other bacterial groups had very reduced newly synthesized DNA signal. These findings will help to delineate the acetate utilization patterns of bacteria in the field and can lead to improved methods for stimulating distinct microbial populations in situ.

Multicritical phase diagrams of the Blume-Emery-Griffiths model with repulsive biquadratic coupling including metastable phases: the pair approximation and the path probability method with pair distribution

International Nuclear Information System (INIS)

Keskin, Mustafa; Erdinc, Ahmet

2004-01-01

As a continuation of the previously published work, the pair approximation of the cluster variation method is applied to study the temperature dependences of the order parameters of the Blume-Emery-Griffiths model with repulsive biquadratic coupling on a body centered cubic lattice. We obtain metastable and unstable branches of the order parameters besides the stable branches and phase transitions of these branches are investigated extensively. We study the dynamics of the model by the path probability method with pair distribution in order to make sure that we find and define the metastable and unstable branches of the order parameters completely and correctly. We present the metastable phase diagram in addition to the equilibrium phase diagram and also the first-order phase transition line for the unstable branches of the quadrupole order parameter is superimposed on the phase diagrams. It is found that the metastable phase diagram and the first-order phase boundary for the unstable quadrupole order parameter always exist at the low temperatures which are consistent with experimental and theoretical works

Integrated thermal treatment system sudy: Phase 2, Results

Energy Technology Data Exchange (ETDEWEB)

Feizollahi, F.; Quapp, W.J.

1995-08-01

This report presents the second phase of a study on thermal treatment technologies. The study consists of a systematic assessment of nineteen thermal treatment alternatives for the contact-handled mixed low-level waste (MLLW) currently stored in the US Department of Energy complex. The treatment alternatives consist of widely varying technologies for safely destroying the hazardous organic components, reducing the volume, and preparing for final disposal of the MLLW. The alternatives considered in Phase 2 were innovative thermal treatments with nine types of primary processing units. Other variations in the study examined the effect of combustion gas, air pollution control system design, and stabilization technology for the treatment residues. The Phase 1 study, the results of which have been published as an interim report, examined ten initial thermal treatment alternatives. The Phase 2 systems were evaluated in essentially the same manner as the Phase 2 systems. The assumptions and methods were the same as for the Phase 1 study. The quantities, and physical and chemical compositions, of the input waste used in he Phase 2 systems differ from those in the Phase 1 systems, which were based on a preliminary waste input database developed at the onset of the Integrated Thermal Treatment System study. The inventory database used in the Phase 2 study incorporates the latest US Department of Energy information. All systems, both primary treatment systems and subsystem inputs, have now been evaluated using the same waste input (2,927 lb/hr).

Integrated thermal treatment system sudy: Phase 2, Results

International Nuclear Information System (INIS)

Feizollahi, F.; Quapp, W.J.

1995-08-01

This report presents the second phase of a study on thermal treatment technologies. The study consists of a systematic assessment of nineteen thermal treatment alternatives for the contact-handled mixed low-level waste (MLLW) currently stored in the US Department of Energy complex. The treatment alternatives consist of widely varying technologies for safely destroying the hazardous organic components, reducing the volume, and preparing for final disposal of the MLLW. The alternatives considered in Phase 2 were innovative thermal treatments with nine types of primary processing units. Other variations in the study examined the effect of combustion gas, air pollution control system design, and stabilization technology for the treatment residues. The Phase 1 study, the results of which have been published as an interim report, examined ten initial thermal treatment alternatives. The Phase 2 systems were evaluated in essentially the same manner as the Phase 2 systems. The assumptions and methods were the same as for the Phase 1 study. The quantities, and physical and chemical compositions, of the input waste used in he Phase 2 systems differ from those in the Phase 1 systems, which were based on a preliminary waste input database developed at the onset of the Integrated Thermal Treatment System study. The inventory database used in the Phase 2 study incorporates the latest US Department of Energy information. All systems, both primary treatment systems and subsystem inputs, have now been evaluated using the same waste input (2,927 lb/hr)

Tunneling effects in electromagnetic wave scattering by nonspherical particles: A comparison of the Debye series and physical-geometric optics approximations

Science.gov (United States)

Bi, Lei; Yang, Ping

2016-07-01

The accuracy of the physical-geometric optics (PG-O) approximation is examined for the simulation of electromagnetic scattering by nonspherical dielectric particles. This study seeks a better understanding of the tunneling effect on the phase matrix by employing the invariant imbedding method to rigorously compute the zeroth-order Debye series, from which the tunneling efficiency and the phase matrix corresponding to the diffraction and external reflection are obtained. The tunneling efficiency is shown to be a factor quantifying the relative importance of the tunneling effect over the Fraunhofer diffraction near the forward scattering direction. Due to the tunneling effect, different geometries with the same projected cross section might have different diffraction patterns, which are traditionally assumed to be identical according to the Babinet principle. For particles with a fixed orientation, the PG-O approximation yields the external reflection pattern with reasonable accuracy, but ordinarily fails to predict the locations of peaks and minima in the diffraction pattern. The larger the tunneling efficiency, the worse the PG-O accuracy is at scattering angles less than 90°. If the particles are assumed to be randomly oriented, the PG-O approximation yields the phase matrix close to the rigorous counterpart, primarily due to error cancellations in the orientation-average process. Furthermore, the PG-O approximation based on an electric field volume-integral equation is shown to usually be much more accurate than the Kirchhoff surface integral equation at side-scattering angles, particularly when the modulus of the complex refractive index is close to unity. Finally, tunneling efficiencies are tabulated for representative faceted particles.

Albedo of low-energy light ions: case of anisotropic approximation of the collision integral

International Nuclear Information System (INIS)

Simovic, R.; Vukanic, J. . E-mail address of corresponding author: simovicr@vin.bg.ac.yu; Simovic, R.)

2005-01-01

For diffusion and slowing-down of low-energy light ions, the linear transport equation in the path length form was rederived taking into account a common anisotropic approximation of the collision integral. Assuming that the transport cross section depends only on the ion initial energy, the equation was Laplace-transformed over the relative path length and half-space albedo problem was considered by using the ordinary DPN technique. The Laplace-transformed reflection function was found in the lowest order of DPN flux approximation, and then was inverted analytically leading to the distribution of backscattered particles in the relative path-length. For the general power potential V(R)∞R -1/m the particle reflection coefficient was obtained as a series, while for the special case of the inverse square potential (m=1/2) this coefficient was determined in a compact form. The present approach was compared with the TRIM simulations of helium ion reflection, as well as with the Tilinin - Betz fitting formula and the MARLOWE simulations of proton reflection. (author)

Integrated Monitoring and Surveillance System demonstration project. Phase 2 accomplishments

International Nuclear Information System (INIS)

Aumeier, S.E.; Walters, B.G.; Singleterry, R.C.

1997-01-01

The paper presents the results of the Integrated Monitoring and Surveillance System (IMSS) demonstration project Phase 2 efforts. the rationale behind IMSS development is reviewed and progress in each of the 5 basic tasks is detailed. Significant results include further development of the data acquisition system and procurement of necessary hardware/software, options and associated costs for plutonium canning systems and gloveboxes, initiation of facility modifications, determination of possibly affected facility documentation, results from sensor system trade study, and preliminary storage configuration designs. Resources invested during Phase 1 and Phase 2 are summarized and budgetary requirements for completion of Phase 3 presented. The results show that the IMSS demonstration project team has met and in many cases exceeded the commitments made for Phase 2 deliverables

Drift flux model as approximation of two fluid model for two phase dispersed and slug flow in tube

International Nuclear Information System (INIS)

Nigmatulin, R.I.

1995-01-01

The analysis of one-dimensional schematizing for non-steady two-phase dispersed and slug flow in tube is presented. Quasi-static approximation, when inertia forces because of the accelerations of the phases may be neglected, is considered. Gas-liquid bubbly and slug vertical upward flows are analyzed. Non-trivial theoretical equations for slip velocity for these flows are derived. Juxtaposition of the derived equations for slip velocity with the famous Zuber-Findlay correlation as cross correlation coefficients is criticized. The generalization of non-steady drift flux Wallis theory taking into account influence of wall friction on the bubbly or slug flows for kinematical waves is considered

Drift flux model as approximation of two fluid model for two phase dispersed and slug flow in tube

Energy Technology Data Exchange (ETDEWEB)

Nigmatulin, R.I.

1995-09-01

The analysis of one-dimensional schematizing for non-steady two-phase dispersed and slug flow in tube is presented. Quasi-static approximation, when inertia forces because of the accelerations of the phases may be neglected, is considered. Gas-liquid bubbly and slug vertical upward flows are analyzed. Non-trivial theoretical equations for slip velocity for these flows are derived. Juxtaposition of the derived equations for slip velocity with the famous Zuber-Findlay correlation as cross correlation coefficients is criticized. The generalization of non-steady drift flux Wallis theory taking into account influence of wall friction on the bubbly or slug flows for kinematical waves is considered.

Benchmark tests and spin adaptation for the particle-particle random phase approximation

Energy Technology Data Exchange (ETDEWEB)

Yang, Yang; Steinmann, Stephan N.; Peng, Degao [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Aggelen, Helen van, E-mail: Helen.VanAggelen@UGent.be [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Department of Inorganic and Physical Chemistry, Ghent University, 9000 Ghent (Belgium); Yang, Weitao, E-mail: Weitao.Yang@duke.edu [Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708 (United States)

2013-11-07

The particle-particle random phase approximation (pp-RPA) provides an approximation to the correlation energy in density functional theory via the adiabatic connection [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)]. It has virtually no delocalization error nor static correlation error for single-bond systems. However, with its formal O(N{sup 6}) scaling, the pp-RPA is computationally expensive. In this paper, we implement a spin-separated and spin-adapted pp-RPA algorithm, which reduces the computational cost by a substantial factor. We then perform benchmark tests on the G2/97 enthalpies of formation database, DBH24 reaction barrier database, and four test sets for non-bonded interactions (HB6/04, CT7/04, DI6/04, and WI9/04). For the G2/97 database, the pp-RPA gives a significantly smaller mean absolute error (8.3 kcal/mol) than the direct particle-hole RPA (ph-RPA) (22.7 kcal/mol). Furthermore, the error in the pp-RPA is nearly constant with the number of atoms in a molecule, while the error in the ph-RPA increases. For chemical reactions involving typical organic closed-shell molecules, pp- and ph-RPA both give accurate reaction energies. Similarly, both RPAs perform well for reaction barriers and nonbonded interactions. These results suggest that the pp-RPA gives reliable energies in chemical applications. The adiabatic connection formalism based on pairing matrix fluctuation is therefore expected to lead to widely applicable and accurate density functionals.

The efficiency of Flory approximation

International Nuclear Information System (INIS)

Obukhov, S.P.

1984-01-01

The Flory approximation for the self-avoiding chain problem is compared with a conventional perturbation theory expansion. While in perturbation theory each term is averaged over the unperturbed set of configurations, the Flory approximation is equivalent to the perturbation theory with the averaging over the stretched set of configurations. This imposes restrictions on the integration domain in higher order terms and they can be treated self-consistently. The accuracy δν/ν of Flory approximation for self-avoiding chain problems is estimated to be 2-5% for 1 < d < 4. (orig.)

Medical information, communication, and archiving system (MICAS): Phase II integration and acceptance testing

Science.gov (United States)

Smith, Edward M.; Wandtke, John; Robinson, Arvin E.

1999-07-01

The Medical Information, Communication and Archive System (MICAS) is a multi-modality integrated image management system that is seamlessly integrated with the Radiology Information System (RIS). This project was initiated in the summer of 1995 with the first phase being installed during the first half of 1997 and the second phase installed during the summer of 1998. Phase II enhancements include a permanent archive, automated workflow including modality worklist, study caches, NT diagnostic workstations with all components adhering to Digital Imaging and Communications in Medicine (DICOM) standards. This multi-vendor phased approach to PACS implementation is designed as an enterprise-wide PACS to provide images and reports throughout our healthcare network. MICAS demonstrates that aa multi-vendor open system phased approach to PACS is feasible, cost-effective, and has significant advantages over a single vendor implementation.

Integral transport multiregion geometrical shadowing factor for the approximate collision probability matrix calculation of infinite closely packed lattices

International Nuclear Information System (INIS)

Jowzani-Moghaddam, A.

1981-01-01

An integral transport method of calculating the geometrical shadowing factor in multiregion annular cells for infinite closely packed lattices in cylindrical geometry is developed. This analytical method has been programmed in the TPGS code. This method is based upon a consideration of the properties of the integral transport method for a nonuniform body, which together with Bonalumi's approximations allows the determination of the approximate multiregion collision probability matrix for infinite closely packed lattices with sufficient accuracy. The multiregion geometrical shadowing factors have been calculated for variations in fuel pin annular segment rings in a geometry of annular cells. These shadowing factors can then be used in the calculation of neutron transport from one annulus to another in an infinite lattice. The result of this new geometrical shadowing and collision probability matrix are compared with the Dancoff-Ginsburg correction and the probability matrix using constant shadowing on Yankee fuel elements in an infinite lattice. In these cases the Dancoff-Ginsburg correction factor and collision probability matrix using constant shadowing are in difference by at most 6.2% and 6%, respectively

A surprise in the first Born approximation for electron scattering

International Nuclear Information System (INIS)

Treacy, M.M.J.; Van Dyck, D.

2012-01-01

A standard textbook derivation for the scattering of electrons by a weak potential under the first Born approximation suggests that the far-field scattered wave should be in phase with the incident wave. However, it is well known that waves scattered from a weak phase object should be phase-shifted by π/2 relative to the incident wave. A disturbing consequence of this missing phase is that, according to the Optical Theorem, the total scattering cross section would be zero in the first Born approximation. We resolve this mystery pedagogically by showing that the first Born approximation fails to conserve electrons even to first order. Modifying the derivation to conserve electrons introduces the correct phase without changing the scattering amplitude. We also show that the far-field expansion for the scattered waves used in many texts is inappropriate for computing an exit wave from a sample, and that the near-field expansion also give the appropriately phase-shifted result. -- Highlights: ► The first Born approximation is usually invoked as the theoretical physical basis for kinematical electron scattering theory. ► Although it predicts the correct scattering amplitude, it predicts the wrong phase; the scattered wave is missing a prefactor of i. ► We show that this arises because the standard textbook version of the first Born approximation does not conserve electrons. ► We show how this can be fixed.

An Integrable SIW Phase Shifter in a Partially Magnetized Ferrite LTCC Package

KAUST Repository

Nafe, Ahmed

2015-06-09

There is a growing need for small size integrable phased antenna arrays for emerging satellite communications on-the-move applications. Traditional ferrite-based phase shifters are generally bulky due to the need of electromagnets for biasing, yielding them unsuitable for this kind of application. In this paper, a novel compact light-weight substrate integrated waveguide (SIW) based phase shifter realized in a multi-layer ferrite low-temperature co-fired ceramic package with embedded bias windings is reported. By using embedded windings and operating the material in a partially magnetized state, the required bias magnetic field could be significantly reduced from typically about 1000 Oe to less than 50 Oe. Moreover, the presented phase shifter has two modes of operations corresponding to two different biasing scenarios of the SIW, namely, symmetric and anti-symmetric bias. Under anti-symmetric bias, the phase shifter can achieve high nonreciprocal phase shift, whereas under symmetric bias, the phase shift is reciprocal, but the available phase shift is less than the anti-symmetric case. The fabricated prototype operates in the 11.5-13.5-GHz range and has a peak figure of merit (phase shift per decibel of loss) of 102°/dB and a maximum phase shift per unit length of 153°/cm, which are more than five times the previously reported figures for this technology. Due to the use of embedded windings, the presented phase shifter offers a huge size reduction from the order of cm3 to mm3, making it particularly useful for mobile phased-array applications. © 2015 IEEE.

Collective excitations in the Penson-Kolb model: A generalized random-phase-approximation study

International Nuclear Information System (INIS)

Roy, G.K.; Bhattacharyya, B.

1997-01-01

The evolution of the superconducting ground state of the half-filled Penson-Kolb model is examined as a function of the coupling constant using a mean-field approach and the generalized random phase approximation (RPA) in two and three dimensions. On-site singlet pairs hop to compete against single-particle motion in this model, giving the coupling constant a strong momentum dependence. There is a pronounced bandwidth enhancement effect that converges smoothly to a finite value in the strong-coupling (Bose) regime. The low-lying collective excitations evaluated in generalized RPA show a linear dispersion and a gradual crossover from the weak-coupling (BCS) limit to the Bose regime; the mode velocity increases monotonically in sharp contrast to the attractive Hubbard model. Analytical results are derived in the asymptotic limits. copyright 1997 The American Physical Society

Performance evaluation on solar still integrated with nano-composite phase change materials

International Nuclear Information System (INIS)

Rajasekhar, G.; Eswaramoorthy, M.

2015-01-01

This paper communicates the performance evaluation of single slope solar still integrated with nano-composite phase change materials and compare with the experimental results of with and without phase change materials. A solar still with 1 m"2 surface area is developed with non-selective coating of absorber sheet with the provision of thermal energy storage materials. The solar still is tested on typical days with and without thermal energy storage materials. It is found that from the experimental studies that nano-materials (Al_2O_3) dispersed in paraffin wax is giving better cumulative yield of distillate than paraffin wax alone and without paraffin wax thermal storage. The daily efficiency of the solar still is computed for solar still with nano-composite phase change materials is 45% and solar still paraffin wax alone thermal storage is 40% and solar still without any thermal storage is 38%. It is concluded from the experimental studies; solar still integrated with nano-composite phase change materials gives better performance than with and without phase change material alone. (authors)

Accurate Quasiparticle Spectra from the T-Matrix Self-Energy and the Particle-Particle Random Phase Approximation.

Science.gov (United States)

Zhang, Du; Su, Neil Qiang; Yang, Weitao

2017-07-20

The GW self-energy, especially G 0 W 0 based on the particle-hole random phase approximation (phRPA), is widely used to study quasiparticle (QP) energies. Motivated by the desirable features of the particle-particle (pp) RPA compared to the conventional phRPA, we explore the pp counterpart of GW, that is, the T-matrix self-energy, formulated with the eigenvectors and eigenvalues of the ppRPA matrix. We demonstrate the accuracy of the T-matrix method for molecular QP energies, highlighting the importance of the pp channel for calculating QP spectra.

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

KAUST Repository

Bisetti, Fabrizio

2012-06-01

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

β-decay rates of r-process nuclei in the relativistic quasiparticle random phase approximation

International Nuclear Information System (INIS)

Niksic, T.; Marketin, T.; Vretenar, D.; Paar, N.; Ring, P.

2005-01-01

The fully consistent relativistic proton-neutron quasiparticle random phase approximation (PN-RQRPA) is employed in the calculation of β-decay half-lives of neutron-rich nuclei in the N≅50 and N≅82 regions. A new density-dependent effective interaction, with an enhanced value of the nucleon effective mass, is used in relativistic Hartree-Bogoliubov calculation of nuclear ground states and in the particle-hole channel of the PN-RQRPA. The finite range Gogny D1S interaction is employed in the T=1 pairing channel, and the model also includes a proton-neutron particle-particle interaction. The theoretical half-lives reproduce the experimental data for the Fe, Zn, Cd, and Te isotopic chains but overestimate the lifetimes of Ni isotopes and predict a stable 132 Sn

A superconducting phase-locked local oscillator for a submillimetre integrated receiver

International Nuclear Information System (INIS)

Koshelets, V P; Shitov, S V; Filippenko, L V; Dmitriev, P N; Ermakov, A B; Sobolev, A S; Torgashin, M Yu; Pankratov, A L; Kurin, V V; Yagoubov, P; Hoogeveen, R

2004-01-01

Comprehensive measurements of the flux flow oscillator (FFO) radiation linewidth are performed using an integrated harmonic SIS mixer; the FFO linewidth and spectral line profile are compared to a theory. An essential dependence of the FFO linewidth on frequency is found; a possible explanation is proposed. The results of the numerical solution of the perturbed sine-Gordon equation qualitatively confirm this assumption. To optimize the FFO design, the influence of the FFO parameters on the radiation linewidth is studied. A novel FFO design at a moderate current density has resulted in a free-running FFO linewidth of about 10 MHz in the flux flow regime up to 712 GHz, limited only by the gap frequency of Nb. This relatively narrow free-running linewidth (along with implementation of a wide-band phase locking loop system) allows continuous phase locking of the FFO in the wide frequency range of 500-710 GHz. These results are the basis for the development of a 550-650 GHz integrated receiver for the terahertz limb sounder (TELIS) intended for atmosphere study and scheduled to fly on a balloon in 2005. We report here also on the design of the second generation of the phase-locked superconducting integrated receiver chip for TELIS

Density functional formulation of the random-phase approximation for inhomogeneous fluids: Application to the Gaussian core and Coulomb particles.

Science.gov (United States)

Frydel, Derek; Ma, Manman

2016-06-01

Using the adiabatic connection, we formulate the free energy in terms of the correlation function of a fictitious system, h_{λ}(r,r^{'}), in which interactions λu(r,r^{'}) are gradually switched on as λ changes from 0 to 1. The function h_{λ}(r,r^{'}) is then obtained from the inhomogeneous Ornstein-Zernike equation and the two equations constitute a general liquid-state framework for treating inhomogeneous fluids. The two equations do not yet constitute a closed set. In the present work we use the closure c_{λ}(r,r^{'})≈-λβu(r,r^{'}), known as the random-phase approximation (RPA). We demonstrate that the RPA is identical with the variational Gaussian approximation derived within the field-theoretical framework, originally derived and used for charged particles. We apply our generalized RPA approximation to the Gaussian core model and Coulomb charges.

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

International Nuclear Information System (INIS)

Kophazi, J.; Lathouwers, D.

2013-01-01

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

Advanced Communication and Control for Distributed Energy Resource Integration: Phase 2 Scientific Report

Energy Technology Data Exchange (ETDEWEB)

BPL Global

2008-09-30

The objective of this research project is to demonstrate sensing, communication, information and control technologies to achieve a seamless integration of multivendor distributed energy resource (DER) units at aggregation levels that meet individual user requirements for facility operations (residential, commercial, industrial, manufacturing, etc.) and further serve as resource options for electric and natural gas utilities. The fully demonstrated DER aggregation system with embodiment of communication and control technologies will lead to real-time, interactive, customer-managed service networks to achieve greater customer value. Work on this Advanced Communication and Control Project (ACCP) consists of a two-phase approach for an integrated demonstration of communication and control technologies to achieve a seamless integration of DER units to reach progressive levels of aggregated power output. Phase I involved design and proof-of-design, and Phase II involves real-world demonstration of the Phase I design architecture. The scope of work for Phase II of this ACCP involves demonstrating the Phase I design architecture in large scale real-world settings while integrating with the operations of one or more electricity supplier feeder lines. The communication and control architectures for integrated demonstration shall encompass combinations of software and hardware components, including: sensors, data acquisition and communication systems, remote monitoring systems, metering (interval revenue, real-time), local and wide area networks, Web-based systems, smart controls, energy management/information systems with control and automation of building energy loads, and demand-response management with integration of real-time market pricing. For Phase II, BPL Global shall demonstrate the Phase I design for integrating and controlling the operation of more than 10 DER units, dispersed at various locations in one or more Independent System Operator (ISO) Control Areas, at

Damage Adaptation Using Integrated Structural, Propulsion, and Aerodynamic Control, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — The proposed SBIR Phase I plan of research seeks to develop and demonstrate an integrated architecture designed to compensate for combined propulsion, airframe,...

Relativistic Random-Phase Approximation with Density-dependent Meson-nucleon Couplings at Finite Temperature

International Nuclear Information System (INIS)

Niu, Y.; Paar, N.; Vretenar, D.; Meng, J.

2009-01-01

The fully self-consistent relativistic random-phase approximation (RRPA) framework based on effective interactions with a phenomenological density dependence is extended to finite temperatures. The RRPA configuration space is built from the spectrum of single-nucleon states at finite temperature obtained by the temperature dependent relativistic mean field (RMF-T) theory based on effective Lagrangian with density dependent meson-nucleon vertex functions. As an illustration, the dependence of binding energy, radius, entropy and single particle levels on temperature for spherical nucleus 2 08P b is investigated in RMF-T theory. The finite temperature RRPA has been employed in studies of giant monopole and dipole resonances, and the evolution of resonance properties has been studied as a function of temperature. In addition, exotic modes of excitation have been systematically explored at finite temperatures, with an emphasis on the case of pygmy dipole resonances.(author)

Design of all-optical high-order temporal integrators based on multiple-phase-shifted Bragg gratings.

Science.gov (United States)

Asghari, Mohammad H; Azaña, José

2008-07-21

In exact analogy with their electronic counterparts, photonic temporal integrators are fundamental building blocks for constructing all-optical circuits for ultrafast information processing and computing. In this work, we introduce a simple and general approach for realizing all-optical arbitrary-order temporal integrators. We demonstrate that the N(th) cumulative time integral of the complex field envelope of an input optical waveform can be obtained by simply propagating this waveform through a single uniform fiber/waveguide Bragg grating (BG) incorporating N pi-phase shifts along its axial profile. We derive here the design specifications of photonic integrators based on multiple-phase-shifted BGs. We show that the phase shifts in the BG structure can be arbitrarily located along the grating length provided that each uniform grating section (sections separated by the phase shifts) is sufficiently long so that its associated peak reflectivity reaches nearly 100%. The resulting designs are demonstrated by numerical simulations assuming all-fiber implementations. Our simulations show that the proposed approach can provide optical operation bandwidths in the tens-of-GHz regime using readily feasible photo-induced fiber BG structures.

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

Science.gov (United States)

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

Analytic Approximation to Radiation Fields from Line Source Geometry

International Nuclear Information System (INIS)

Michieli, I.

2000-01-01

Line sources with slab shields represent typical source-shield configuration in gamma-ray attenuation problems. Such shielding problems often lead to the generalized Secant integrals of the specific form. Besides numerical integration approach, various expansions and rational approximations with limited applicability are in use for computing the value of such integral functions. Lately, the author developed rapidly convergent infinite series representation of generalized Secant Integrals involving incomplete Gamma functions. Validity of such representation was established for zero and positive values of integral parameter a (a=0). In this paper recurrence relations for generalized Secant Integrals are derived allowing us simple approximate analytic calculation of the integral for arbitrary a values. It is demonstrated how truncated series representation can be used, as the basis for such calculations, when possibly negative a values are encountered. (author)

The EPOS Implementation Phase: building thematic and integrated services for solid Earth sciences

Science.gov (United States)

Cocco, Massimo; Epos Consortium, the

2015-04-01

The European Plate Observing System (EPOS) has a scientific vision and approach aimed at creating a pan-European infrastructure for Earth sciences to support a safe and sustainable society. To follow this vision, the EPOS mission is integrating a suite of diverse and advanced Research Infrastructures (RIs) in Europe relying on new e-science opportunities to monitor and understand the dynamic and complex Earth system. To this goal, the EPOS Preparatory Phase has designed a long-term plan to facilitate integrated use of data and products as well as access to facilities from mainly distributed existing and new research infrastructures for solid Earth Science. EPOS will enable innovative multidisciplinary research for a better understanding of the Earth's physical processes that control earthquakes, volcanic eruptions, ground instability and tsunami as well as the processes driving tectonics and Earth surface dynamics. Through integration of data, models and facilities EPOS will allow the Earth Science community to make a step change in developing new concepts and tools for key answers to scientific and socio-economic questions concerning geo-hazards and geo-resources as well as Earth sciences applications to the environment and to human welfare. Since its conception EPOS has been built as "a single, Pan-European, sustainable and distributed infrastructure". EPOS is, indeed, the sole infrastructure for solid Earth Science in ESFRI and its pan-European dimension is demonstrated by the participation of 23 countries in its preparatory phase. EPOS is presently moving into its implementation phase further extending its pan-European dimension. The EPOS Implementation Phase project (EPOS IP) builds on the achievements of the successful EPOS preparatory phase project. The EPOS IP objectives are synergetic and coherent with the establishment of the new legal subject (the EPOS-ERIC in Italy). EPOS coordinates the existing and new solid Earth RIs within Europe and builds the

High-Resolution Silicon-based Particle Sensor with Integrated Amplification, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This SBIR Phase I project will deliver a breakthrough in particle-detection sensors, by integrating an amplifying junction as part of the detector topology. Focusing...

SANS [small-angle neutron scattering] evaluation of the RPA [random phase approximation] theory for binary homopolymer mixtures

International Nuclear Information System (INIS)

Bates, F.S.; Koehler, W.C.; Wignall, G.D.; Fetters, L.J.

1986-12-01

A well characterized binary mixture of normal (protonated) and perdeuterated monodisperse 1,2 polybutenes has been studied by small-angle neutron scattering (SANS). For scattering wavevectors q greater than the inverse radius-of-gyration R/sub g/ -1 , the SANS intensity is quantitatively predicted by the random phase approximation (RPA) theory of deGennes over all measured values of the segment-segment interaction parameter Chi. In the region (Chi s-Chi)Chi s -1 > 0.5 the interaction parameter determined using the RPA theory for q > R/sub g/ -1 is greater than that calculated from the zero-angle intensity based on an Ornstein-Zernike plot, where Chi s represents the limit of single phase stability. These findings indicate a correlation between the critical fluctuation length ξ and R/sub g/ which is not accounted for by the RPA theory

Timing of Formal Phase Safety Reviews for Large-Scale Integrated Hazard Analysis

Science.gov (United States)

Massie, Michael J.; Morris, A. Terry

2010-01-01

Integrated hazard analysis (IHA) is a process used to identify and control unacceptable risk. As such, it does not occur in a vacuum. IHA approaches must be tailored to fit the system being analyzed. Physical, resource, organizational and temporal constraints on large-scale integrated systems impose additional direct or derived requirements on the IHA. The timing and interaction between engineering and safety organizations can provide either benefits or hindrances to the overall end product. The traditional approach for formal phase safety review timing and content, which generally works well for small- to moderate-scale systems, does not work well for very large-scale integrated systems. This paper proposes a modified approach to timing and content of formal phase safety reviews for IHA. Details of the tailoring process for IHA will describe how to avoid temporary disconnects in major milestone reviews and how to maintain a cohesive end-to-end integration story particularly for systems where the integrator inherently has little to no insight into lower level systems. The proposal has the advantage of allowing the hazard analysis development process to occur as technical data normally matures.

Finite nucleus Dirac mean field theory and random phase approximation using finite B splines

International Nuclear Information System (INIS)

McNeil, J.A.; Furnstahl, R.J.; Rost, E.; Shepard, J.R.; Department of Physics, University of Maryland, College Park, Maryland 20742; Department of Physics, University of Colorado, Boulder, Colorado 80309)

1989-01-01

We calculate the finite nucleus Dirac mean field spectrum in a Galerkin approach using finite basis splines. We review the method and present results for the relativistic σ-ω model for the closed-shell nuclei 16 O and 40 Ca. We study the convergence of the method as a function of the size of the basis and the closure properties of the spectrum using an energy-weighted dipole sum rule. We apply the method to the Dirac random-phase-approximation response and present results for the isoscalar 1/sup -/ and 3/sup -/ longitudinal form factors of 16 O and 40 Ca. We also use a B-spline spectral representation of the positive-energy projector to evaluate partial energy-weighted sum rules and compare with nonrelativistic sum rule results

β-decay rates of r-process nuclei in the relativistic quasiparticle random phase approximation

International Nuclear Information System (INIS)

Niksic, T.; Marketin, T.; Vretenar, D.; Paar, N.; Ring, P.

2004-01-01

The fully consistent relativistic proton-neutron quasiparticle random phase approximation (PN-RQRPA) is employed in the calculation of β-decay half-lives of neutron-rich nuclei in the N∼50 and N∼82 regions. A new density-dependent effective interaction, with an enhanced value of the nucleon effective mass, is used in relativistic Hartree-Bogolyubov calculation of nuclear ground states and in the particle-hole channel of the PN-RQRPA. The finite range Gogny D1S interaction is employed in the T=1 pairing channel, and the model also includes a proton-neutron particle-particle interaction. The theoretical half-lives reproduce the experimental data for the Fe, Zn, Cd, and Te isotopic chains, but overestimate the lifetimes of Ni isotopes and predict a stable 132 Sn. (orig.)

{beta}-decay rates of r-process nuclei in the relativistic quasiparticle random phase approximation

Energy Technology Data Exchange (ETDEWEB)

Niksic, T.; Marketin, T.; Vretenar, D. [Zagreb Univ. (Croatia). Faculty of Science, Physics Dept.; Paar, N. [Technische Univ. Darmstadt (Germany). Inst. fuer Kernphysik; Ring, P. [Technische Univ. Muenchen, Garching (Germany). Physik-Department

2004-12-08

The fully consistent relativistic proton-neutron quasiparticle random phase approximation (PN-RQRPA) is employed in the calculation of {beta}-decay half-lives of neutron-rich nuclei in the N{approx}50 and N{approx}82 regions. A new density-dependent effective interaction, with an enhanced value of the nucleon effective mass, is used in relativistic Hartree-Bogolyubov calculation of nuclear ground states and in the particle-hole channel of the PN-RQRPA. The finite range Gogny D1S interaction is employed in the T=1 pairing channel, and the model also includes a proton-neutron particle-particle interaction. The theoretical half-lives reproduce the experimental data for the Fe, Zn, Cd, and Te isotopic chains, but overestimate the lifetimes of Ni isotopes and predict a stable {sup 132}Sn. (orig.)

An Integrable Approximation for the Fermi Pasta Ulam Lattice

Science.gov (United States)

Rink, Bob

This contribution presents a review of results obtained from computations of approximate equations of motion for the Fermi-Pasta-Ulam lattice. These approximate equations are obtained as a finite-dimensional Birkhoff normal form. It turns out that in many cases, the Birkhoff normal form is suitable for application of the KAM theorem. In particular, this proves Nishida's 1971 conjecture stating that almost all low-energetic motions of the anharmonic Fermi-Pasta-Ulam lattice with fixed endpoints are quasi-periodic. The proof is based on the formal Birkhoff normal form computations of Nishida, the KAM theorem and discrete symmetry considerations.

Existence and Analytic Approximation of Solutions of Duffing Type Nonlinear Integro-Differential Equation with Integral Boundary Conditions

Directory of Open Access Journals (Sweden)

Alsaedi Ahmed

2009-01-01

Full Text Available A generalized quasilinearization technique is developed to obtain a sequence of approximate solutions converging monotonically and quadratically to a unique solution of a boundary value problem involving Duffing type nonlinear integro-differential equation with integral boundary conditions. The convergence of order for the sequence of iterates is also established. It is found that the work presented in this paper not only produces new results but also yields several old results in certain limits.

Efficient Integrative Multi-SNP Association Analysis via Deterministic Approximation of Posteriors.

Science.gov (United States)

Wen, Xiaoquan; Lee, Yeji; Luca, Francesca; Pique-Regi, Roger

2016-06-02

With the increasing availability of functional genomic data, incorporating genomic annotations into genetic association analysis has become a standard procedure. However, the existing methods often lack rigor and/or computational efficiency and consequently do not maximize the utility of functional annotations. In this paper, we propose a rigorous inference procedure to perform integrative association analysis incorporating genomic annotations for both traditional GWASs and emerging molecular QTL mapping studies. In particular, we propose an algorithm, named deterministic approximation of posteriors (DAP), which enables highly efficient and accurate joint enrichment analysis and identification of multiple causal variants. We use a series of simulation studies to highlight the power and computational efficiency of our proposed approach and further demonstrate it by analyzing the cross-population eQTL data from the GEUVADIS project and the multi-tissue eQTL data from the GTEx project. In particular, we find that genetic variants predicted to disrupt transcription factor binding sites are enriched in cis-eQTLs across all tissues. Moreover, the enrichment estimates obtained across the tissues are correlated with the cell types for which the annotations are derived. Copyright © 2016 American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation

Science.gov (United States)

Mauri, Francesco

Anharmonic effects can generally be treated within perturbation theory. Such an approach breaks down when the harmonic solution is dynamically unstable or when the anharmonic corrections of the phonon energies are larger than the harmonic frequencies themselves. This situation occurs near lattice-related second-order phase-transitions such as charge-density-wave (CDW) or ferroelectric instabilities or in H-containing materials, where the large zero-point motion of the protons results in a violation of the harmonic approximation. Interestingly, even in these cases, phonons can be observed, measured, and used to model transport properties. In order to treat such cases, we developed a stochastic implementation of the self-consistent harmonic approximation valid to treat anharmonicity in the nonperturbative regime and to obtain, from first-principles, the structural, thermodynamic and vibrational properties of strongly anharmonic systems. I will present applications to the ferroelectric transitions in SnTe, to the CWD transitions in NbS2 and NbSe2 (in bulk and monolayer) and to the hydrogen-bond symmetrization transition in the superconducting hydrogen sulfide system, that exhibits the highest Tc reported for any superconductor so far. In all cases we are able to predict the transition temperature (pressure) and the evolution of phonons with temperature (pressure). This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No. 696656 GrapheneCore1.

A new way of obtaining analytic approximations of Chandrasekhar's H function

International Nuclear Information System (INIS)

Vukanic, J.; Arsenovic, D.; Davidovic, D.

2007-01-01

Applying the mean value theorem for definite integrals in the non-linear integral equation for Chandrasekhar's H function describing conservative isotropic scattering, we have derived a new, simple analytic approximation for it, with a maximal relative error below 2.5%. With this new function as a starting-point, after a single iteration in the corresponding integral equation, we have obtained a new, highly accurate analytic approximation for the H function. As its maximal relative error is below 0.07%, it significantly surpasses the accuracy of other analytic approximations

Simulating propagation of decomposed elastic waves using low-rank approximate mixed-domain integral operators for heterogeneous transversely isotropic media

KAUST Repository

Cheng, Jiubing

2014-08-05

In elastic imaging, the extrapolated vector fields are decomposed into pure wave modes, such that the imaging condition produces interpretable images, which characterize reflectivity of different reflection types. Conventionally, wavefield decomposition in anisotropic media is costly as the operators involved is dependent on the velocity, and thus not stationary. In this abstract, we propose an efficient approach to directly extrapolate the decomposed elastic waves using lowrank approximate mixed space/wavenumber domain integral operators for heterogeneous transverse isotropic (TI) media. The low-rank approximation is, thus, applied to the pseudospectral extrapolation and decomposition at the same time. The pseudo-spectral implementation also allows for relatively large time steps in which the low-rank approximation is applied. Synthetic examples show that it can yield dispersionfree extrapolation of the decomposed quasi-P (qP) and quasi- SV (qSV) modes, which can be used for imaging, as well as the total elastic wavefields.

Integration of human reliability analysis into the probabilistic risk assessment process: Phase 1

International Nuclear Information System (INIS)

Bell, B.J.; Vickroy, S.C.

1984-10-01

A research program was initiated to develop a testable set of analytical procedures for integrating human reliability analysis (HRA) into the probabilistic risk assessment (PRA) process to more adequately assess the overall impact of human performance on risk. In this three-phase program, stand-alone HRA/PRA analytic procedures will be developed and field evaluated to provide improved methods, techniques, and models for applying quantitative and qualitative human error data which systematically integrate HRA principles, techniques, and analyses throughout the entire PRA process. Phase 1 of the program involved analysis of state-of-the-art PRAs to define the structures and processes currently in use in the industry. Phase 2 research will involve developing a new or revised PRA methodology which will enable more efficient regulation of the industry using quantitative or qualitative results of the PRA. Finally, Phase 3 will be to field test those procedures to assure that the results generated by the new methodologies will be usable and acceptable to the NRC. This paper briefly describes the first phase of the program and outlines the second

The validity of flow approximations when simulating catchment-integrated flash floods

Science.gov (United States)

Bout, B.; Jetten, V. G.

2018-01-01

Within hydrological models, flow approximations are commonly used to reduce computation time. The validity of these approximations is strongly determined by flow height, flow velocity and the spatial resolution of the model. In this presentation, the validity and performance of the kinematic, diffusive and dynamic flow approximations are investigated for use in a catchment-based flood model. Particularly, the validity during flood events and for varying spatial resolutions is investigated. The OpenLISEM hydrological model is extended to implement both these flow approximations and channel flooding based on dynamic flow. The flow approximations are used to recreate measured discharge in three catchments, among which is the hydrograph of the 2003 flood event in the Fella river basin. Furthermore, spatial resolutions are varied for the flood simulation in order to investigate the influence of spatial resolution on these flow approximations. Results show that the kinematic, diffusive and dynamic flow approximation provide least to highest accuracy, respectively, in recreating measured discharge. Kinematic flow, which is commonly used in hydrological modelling, substantially over-estimates hydrological connectivity in the simulations with a spatial resolution of below 30 m. Since spatial resolutions of models have strongly increased over the past decades, usage of routed kinematic flow should be reconsidered. The combination of diffusive or dynamic overland flow and dynamic channel flooding provides high accuracy in recreating the 2003 Fella river flood event. Finally, in the case of flood events, spatial modelling of kinematic flow substantially over-estimates hydrological connectivity and flow concentration since pressure forces are removed, leading to significant errors.

Time-dependent Gross-Pitaevskii equation for composite bosons as the strong-coupling limit of the fermionic broken-symmetry random-phase approximation

International Nuclear Information System (INIS)

Strinati, G.C.; Pieri, P.

2004-01-01

The linear response to a space- and time-dependent external disturbance of a system of dilute condensed composite bosons at zero temperature, as obtained from the linearized version of the time-dependent Gross-Pitaevskii equation, is shown to result also from the strong-coupling limit of the time-dependent BCS (or broken-symmetry random-phase) approximation for the constituent fermions subject to the same external disturbance. In this way, it is possible to connect excited-state properties of the bosonic and fermionic systems by placing the Gross-Pitaevskii equation in perspective with the corresponding fermionic approximations

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r 6) to O(r 4)

International Nuclear Information System (INIS)

Shenvi, Neil; Yang, Yang; Yang, Weitao; Aggelen, Helen van

2014-01-01

In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to produce the tensor-hypercontracted particle-particle RPA (THC-ppRPA) algorithm. Unlike previous implementations of ppRPA which scale as O(r 6 ), the THC-ppRPA algorithm scales asymptotically as only O(r 4 ), albeit with a much larger prefactor than the traditional algorithm. We apply THC-ppRPA to several model systems and show that it yields the same results as traditional ppRPA to within mH accuracy. Our method opens the door to the development of post-Kohn Sham functionals based on ppRPA without the excessive asymptotic cost of traditional ppRPA implementations

Group theoretical treatment of the low-temperature phase transition of the Cd6Ca 1/1-cubic approximant

International Nuclear Information System (INIS)

Tamura, R.; Shibata, K.; Nishimoto, K.; Takeuchi, S.; Edagawa, K.; Saitoh, K.; Isobe, M.; Ueda, Y.

2005-01-01

An antiparallel orientational transition is reported for an intermetallic compound, i.e., Cd 6 Ca crystal, which is a 1/1-1/1-1/1 crystalline approximant to the icosahedral quasicrystal Cd 5.7 Ca. A group theoretical analysis based on the Landau theory predicts that the space group of the low-temperature phase is either C2/c or C2/m, in good agreement with the observations. Accordingly, two types of orientational orderings of Cd 4 tetrahedra, which are located in the center of icosahedral clusters, may occur below 100 K: In both cases, the Cd 4 tetrahedra are orientationally ordered in an antiparallel fashion along the [110] direction of the high temperature body-centered-cubic phase. Such a transition in a metal is reminiscent of orientational transitions in molecular solids

Electric dipole strength and dipole polarizability in 48Ca within a fully self-consistent second random-phase approximation

Science.gov (United States)

Gambacurta, D.; Grasso, M.; Vasseur, O.

2018-02-01

The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.

Tunneling effects in electromagnetic wave scattering by nonspherical particles: A comparison of the Debye series and physical-geometric optics approximations

International Nuclear Information System (INIS)

Bi, Lei; Yang, Ping

2016-01-01

The accuracy of the physical-geometric optics (PG-O) approximation is examined for the simulation of electromagnetic scattering by nonspherical dielectric particles. This study seeks a better understanding of the tunneling effect on the phase matrix by employing the invariant imbedding method to rigorously compute the zeroth-order Debye series, from which the tunneling efficiency and the phase matrix corresponding to the diffraction and external reflection are obtained. The tunneling efficiency is shown to be a factor quantifying the relative importance of the tunneling effect over the Fraunhofer diffraction near the forward scattering direction. Due to the tunneling effect, different geometries with the same projected cross section might have different diffraction patterns, which are traditionally assumed to be identical according to the Babinet principle. For particles with a fixed orientation, the PG-O approximation yields the external reflection pattern with reasonable accuracy, but ordinarily fails to predict the locations of peaks and minima in the diffraction pattern. The larger the tunneling efficiency, the worse the PG-O accuracy is at scattering angles less than 90°. If the particles are assumed to be randomly oriented, the PG-O approximation yields the phase matrix close to the rigorous counterpart, primarily due to error cancellations in the orientation-average process. Furthermore, the PG-O approximation based on an electric field volume-integral equation is shown to usually be much more accurate than the Kirchhoff surface integral equation at side-scattering angles, particularly when the modulus of the complex refractive index is close to unity. Finally, tunneling efficiencies are tabulated for representative faceted particles. - Highlights: • Concepts of diffraction, reflection and tunneling are refined. • The diffraction together with reflection is rigorously treated. • An improved invariant imbedding method is employed to compute the Debye

A path-integral approach to inclusive processes

International Nuclear Information System (INIS)

Sukumar, C.V.

1995-01-01

The cross section for an inclusive scattering process may be expressed in terms of a double path integral. Evaluation of the double path integral by the stationary-phase approximation yields classical equations of motion for the stationary trajectories and a classical cross section for the inclusive process which depends on the polarization of the initial state. Polarization analyzing powers are calculated from this theory and the results are compared with those obtained in an earlier paper. ((orig.))

Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.

Science.gov (United States)

Bardhan, Jaydeep P; Knepley, Matthew G

2011-09-28

We analyze the mathematically rigorous BIBEE (boundary-integral based electrostatics estimation) approximation of the mixed-dielectric continuum model of molecular electrostatics, using the analytically solvable case of a spherical solute containing an arbitrary charge distribution. Our analysis, which builds on Kirkwood's solution using spherical harmonics, clarifies important aspects of the approximation and its relationship to generalized Born models. First, our results suggest a new perspective for analyzing fast electrostatic models: the separation of variables between material properties (the dielectric constants) and geometry (the solute dielectric boundary and charge distribution). Second, we find that the eigenfunctions of the reaction-potential operator are exactly preserved in the BIBEE model for the sphere, which supports the use of this approximation for analyzing charge-charge interactions in molecular binding. Third, a comparison of BIBEE to the recent GBε theory suggests a modified BIBEE model capable of predicting electrostatic solvation free energies to within 4% of a full numerical Poisson calculation. This modified model leads to a projection-framework understanding of BIBEE and suggests opportunities for future improvements. © 2011 American Institute of Physics

The quantum transverse spin-2 Ising model with a bimodal random-field in the pair approximation

International Nuclear Information System (INIS)

Canko, O.; Albayrak, E.; Keskin, M.

2005-01-01

In this paper, we have investigated the bimodal random-field spin-2 Ising system in a transverse field by combining the pair approximation with the discretized path-integral representation. The exact equations for the second-order phase transition lines and tricritical points are obtained in terms of the random field H, the transverse field G and the coordination number z. It is found that there are some critical values for H and G where the tricritical points disappear for given z. We have also observed that the system presents reentrant behavior which may be caused by the quantum effects and randomness. The phase diagram with respect to the random field and the second-order phase transition temperature are studied extensively for given values of the transverse field and the coordination number

Application of the tuning algorithm with the least squares approximation to the suboptimal control algorithm for integrating objects

Science.gov (United States)

Kuzishchin, V. F.; Merzlikina, E. I.; Van Va, Hoang

2017-11-01

The problem of PID and PI-algorithms tuning by means of the approximation by the least square method of the frequency response of a linear algorithm to the sub-optimal algorithm is considered. The advantage of the method is that the parameter values are obtained through one cycle of calculation. Recommendations how to choose the parameters of the least square method taking into consideration the plant dynamics are given. The parameters mentioned are the time constant of the filter, the approximation frequency range and the correction coefficient for the time delay parameter. The problem is considered for integrating plants for some practical cases (the level control system in a boiler drum). The transfer function of the suboptimal algorithm is determined relating to the disturbance that acts in the point of the control impact input, it is typical for thermal plants. In the recommendations it is taken into consideration that the overregulation for the transient process when the setpoint is changed is also limited. In order to compare the results the systems under consideration are also calculated by the classical method with the limited frequency oscillation index. The results given in the paper can be used by specialists dealing with tuning systems with the integrating plants.

Integrating Phase-Change Materials into Automotive Thermoelectric Generators

Science.gov (United States)

Klein Altstedde, Mirko; Rinderknecht, Frank; Friedrich, Horst

2014-06-01

Because the heat emitted by conventional combustion-engine vehicles during operation has highly transient properties, automotive thermoelectric generators (TEG) are intended for a particular operating state (design point). This, however, leads to two problems. First, whenever the combustion engine runs at low load, the maximum operating temperature cannot be properly utilised; second, a combustion engine at high load requires partial diversion of exhaust gas away from the TEG to protect the thermoelectric modules. An attractive means of stabilising dynamic exhaust behaviour (thereby keeping the TEG operating status at the design point for as long as possible) is use of latent heat storage, also known as phase-change materials (PCM). By positioning PCM between module and exhaust heat conduit, and choosing a material with a phase-change temperature matching the module's optimum operating temperature, it can be used as heat storage. This paper presents results obtained during examination of the effect of integration of latent heat storage on the potential of automotive TEG to convert exhaust heat. The research resulted in the development of a concept based on the initial integration idea, followed by proof of concept by use of a specially created prototype. In addition, the potential amount of energy obtained by use of a PCM-equipped TEG was calculated. The simulations indicated a significant increase in electrical energy was obtained in the selected test cycle.

A Gaussian Approximation Potential for Silicon

Science.gov (United States)

Bernstein, Noam; Bartók, Albert; Kermode, James; Csányi, Gábor

We present an interatomic potential for silicon using the Gaussian Approximation Potential (GAP) approach, which uses the Gaussian process regression method to approximate the reference potential energy surface as a sum of atomic energies. Each atomic energy is approximated as a function of the local environment around the atom, which is described with the smooth overlap of atomic environments (SOAP) descriptor. The potential is fit to a database of energies, forces, and stresses calculated using density functional theory (DFT) on a wide range of configurations from zero and finite temperature simulations. These include crystalline phases, liquid, amorphous, and low coordination structures, and diamond-structure point defects, dislocations, surfaces, and cracks. We compare the results of the potential to DFT calculations, as well as to previously published models including Stillinger-Weber, Tersoff, modified embedded atom method (MEAM), and ReaxFF. We show that it is very accurate as compared to the DFT reference results for a wide range of properties, including low energy bulk phases, liquid structure, as well as point, line, and plane defects in the diamond structure.

Approximate Reanalysis in Topology Optimization

DEFF Research Database (Denmark)

Amir, Oded; Bendsøe, Martin P.; Sigmund, Ole

2009-01-01

In the nested approach to structural optimization, most of the computational effort is invested in the solution of the finite element analysis equations. In this study, the integration of an approximate reanalysis procedure into the framework of topology optimization of continuum structures...

Integrability and nonintegrability of quantum systems. II. Dynamics in quantum phase space

Science.gov (United States)

Zhang, Wei-Min; Feng, Da Hsuan; Yuan, Jian-Min

1990-12-01

Based on the concepts of integrability and nonintegrability of a quantum system presented in a previous paper [Zhang, Feng, Yuan, and Wang, Phys. Rev. A 40, 438 (1989)], a realization of the dynamics in the quantum phase space is now presented. For a quantum system with dynamical group scrG and in one of its unitary irreducible-representation carrier spaces gerhΛ, the quantum phase space is a 2MΛ-dimensional topological space, where MΛ is the quantum-dynamical degrees of freedom. This quantum phase space is isomorphic to a coset space scrG/scrH via the unitary exponential mapping of the elementary excitation operator subspace of scrg (algebra of scrG), where scrH (⊂scrG) is the maximal stability subgroup of a fixed state in gerhΛ. The phase-space representation of the system is realized on scrG/scrH, and its classical analogy can be obtained naturally. It is also shown that there is consistency between quantum and classical integrability. Finally, a general algorithm for seeking the manifestation of ``quantum chaos'' via the classical analogy is provided. Illustrations of this formulation in several important quantum systems are presented.

A design concept for an MMIC (Monolithic Microwave Integrated Circuit) microstrip phased array

Science.gov (United States)

Lee, Richard Q.; Smetana, Jerry; Acosta, Roberto

1987-01-01

A conceptual design for a microstrip phased array with monolithic microwave integrated circuit (MMIC) amplitude and phase controls is described. The MMIC devices used are 20 GHz variable power amplifiers and variable phase shifters recently developed by NASA contractors for applications in future Ka proposed design, which concept is for a general NxN element array of rectangular lattice geometry. Subarray excitation is incorporated in the MMIC phased array design to reduce the complexity of the beam forming network and the number of MMIC components required.

On root mean square approximation by exponential functions

OpenAIRE

Sharipov, Ruslan

2014-01-01

The problem of root mean square approximation of a square integrable function by finite linear combinations of exponential functions is considered. It is subdivided into linear and nonlinear parts. The linear approximation problem is solved. Then the nonlinear problem is studied in some particular example.

Integration of human reliability analysis into the probabilistic risk assessment process: phase 1

International Nuclear Information System (INIS)

Bell, B.J.; Vickroy, S.C.

1985-01-01

The US Nuclear Regulatory Commission and Pacific Northwest Laboratory initiated a research program in 1984 to develop a testable set of analytical procedures for integrating human reliability analysis (HRA) into the probabilistic risk assessment (PRA) process to more adequately assess the overall impact of human performance on risk. In this three phase program, stand-alone HRA/PRA analytic procedures will be developed and field evaluated to provide improved methods, techniques, and models for applying quantitative and qualitative human error data which systematically integrate HRA principles, techniques, and analyses throughout the entire PRA process. Phase 1 of the program involved analysis of state-of-the-art PRAs to define the structures and processes currently in use in the industry. Phase 2 research will involve developing a new or revised PRA methodology which will enable more efficient regulation of the industry using quantitative or qualitative results of the PRA. Finally, Phase 3 will be to field test those procedures to assure that the results generated by the new methodologies will be usable and acceptable to the NRC. This paper briefly describes the first phase of the program and outlines the second

Group integration for lattice gauge theory at large and at small coupling

International Nuclear Information System (INIS)

Brower, R.C.; Nauenberg, M.

1981-01-01

We consider the fundamental SU(N) invariant integrals encountered in Wilson's lattice QCD with an eye to analytical results for N → infinite and approximations for small g 2 at fixed N. We develop a new semiclassical technique starting from the Schwinger-Dyson equations cast in differential form to give an exact solution to the single-link integral for N → infinite. The third-order phase transition discovered by Gross and Witten for two-dimensional QCD occurs here for any dimension. Alternatively we parametrize directly the integral over the Haar measure and obtain approximate results for SU(N) using stationary phase at small g 2 . Remarkably the single-loop correction gives the exact answer at N = infinite. We show that the naive lattice string of Weingarten is obtained from N → infinite QCD in the limit of dimensions d → infinite. We discuss applications of our techniques to the 1/N expansion. (orig.)

Integrated monitoring and surveillance system demonstration project: Phase I accomplishments

International Nuclear Information System (INIS)

Aumeier, S.E.; Walters, B.G.; Crawford, D.C.

1997-01-01

The authors present the results of the Integrated Monitoring and Surveillance System (IMSS) demonstration project Phase I efforts. The rationale behind IMSS development is reviewed and progress in each of the 5 basic tasks is detailed. Significant results include decisions to use Echelon LonWorks networking protocol and Microsoft Access for the data system needs, a preliminary design for the plutonium canning system glovebox, identification of facilities and materials available for the demonstration, determination of possibly affected facility documentation, and a preliminary list of available sensor technologies. Recently imposed changes in the overall project schedule and scope are also discussed and budgetary requirements for competition of Phase II presented. The results show that the IMSS demonstration project team has met and in many cases exceeded the commitments made for Phase I deliverables

BWR Full Integral Simulation Test (FIST). Phase I test results

International Nuclear Information System (INIS)

Hwang, W.S.; Alamgir, M.; Sutherland, W.A.

1984-09-01

A new full height BWR system simulator has been built under the Full-Integral-Simulation-Test (FIST) program to investigate the system responses to various transients. The test program consists of two test phases. This report provides a summary, discussions, highlights and conclusions of the FIST Phase I tests. Eight matrix tests were conducted in the FIST Phase I. These tests have investigated the large break, small break and steamline break LOCA's, as well as natural circulation and power transients. Results and governing phenomena of each test have been evaluated and discussed in detail in this report. One of the FIST program objectives is to assess the TRAC code by comparisons with test data. Two pretest predictions made with TRACB02 are presented and compared with test data in this report

On the use of the Lie group technique for differential equations with a small parameter: Approximate solutions and integrable equations

International Nuclear Information System (INIS)

Burde, G.I.

2002-01-01

A new approach to the use of the Lie group technique for partial and ordinary differential equations dependent on a small parameter is developed. In addition to determining approximate solutions to the perturbed equation, the approach allows constructing integrable equations that have solutions with (partially) prescribed features. Examples of application of the approach to partial differential equations are given

Analytical and numerical studies of approximate phase velocity matching based nonlinear S0 mode Lamb waves for the detection of evenly distributed microstructural changes

International Nuclear Information System (INIS)

Wan, X; Xu, G H; Tao, T F; Zhang, Q; Tse, P W

2016-01-01

Most previous studies on nonlinear Lamb waves are conducted using mode pairs that satisfying strict phase velocity matching and non-zero power flux criteria. However, there are some limitations in existence. First, strict phase velocity matching is not existed in the whole frequency bandwidth; Second, excited center frequency is not always exactly equal to the true phase-velocity-matching frequency; Third, mode pairs are isolated and quite limited in number; Fourth, exciting a single desired primary mode is extremely difficult in practice and the received signal is quite difficult to process and interpret. And few attention has been paid to solving these shortcomings. In this paper, nonlinear S0 mode Lamb waves at low-frequency range satisfying approximate phase velocity matching is proposed for the purpose of overcoming these limitations. In analytical studies, the secondary amplitudes with the propagation distance considering the fundamental frequency, the maximum cumulative propagation distance (MCPD) with the fundamental frequency and the maximum linear cumulative propagation distance (MLCPD) using linear regression analysis are investigated. Based on analytical results, approximate phase velocity matching is quantitatively characterized as the relative phase velocity deviation less than a threshold value of 1%. Numerical studies are also conducted using tone burst as the excitation signal. The influences of center frequency and frequency bandwidth on the secondary amplitudes and MCPD are investigated. S1–S2 mode with the fundamental frequency at 1.8 MHz, the primary S0 mode at the center frequencies of 100 and 200 kHz are used respectively to calculate the ratios of nonlinear parameter of Al 6061-T6 to Al 7075-T651. The close agreement of the computed ratios to the actual value verifies the effectiveness of nonlinear S0 mode Lamb waves satisfying approximate phase velocity matching for characterizing the material nonlinearity. Moreover, the ratios derived

Simulating propagation of decoupled elastic waves using low-rank approximate mixed-domain integral operators for anisotropic media

KAUST Repository

Cheng, Jiubing; Alkhalifah, Tariq Ali; Wu, Zedong; Zou, Peng; Wang, Chenlong

2016-01-01

In elastic imaging, the extrapolated vector fields are decoupled into pure wave modes, such that the imaging condition produces interpretable images. Conventionally, mode decoupling in anisotropic media is costly because the operators involved are dependent on the velocity, and thus they are not stationary. We have developed an efficient pseudospectral approach to directly extrapolate the decoupled elastic waves using low-rank approximate mixed-domain integral operators on the basis of the elastic displacement wave equation. We have applied k-space adjustment to the pseudospectral solution to allow for a relatively large extrapolation time step. The low-rank approximation was, thus, applied to the spectral operators that simultaneously extrapolate and decompose the elastic wavefields. Synthetic examples on transversely isotropic and orthorhombic models showed that our approach has the potential to efficiently and accurately simulate the propagations of the decoupled quasi-P and quasi-S modes as well as the total wavefields for elastic wave modeling, imaging, and inversion.

Simulating propagation of decoupled elastic waves using low-rank approximate mixed-domain integral operators for anisotropic media

KAUST Repository

Cheng, Jiubing

2016-03-15

In elastic imaging, the extrapolated vector fields are decoupled into pure wave modes, such that the imaging condition produces interpretable images. Conventionally, mode decoupling in anisotropic media is costly because the operators involved are dependent on the velocity, and thus they are not stationary. We have developed an efficient pseudospectral approach to directly extrapolate the decoupled elastic waves using low-rank approximate mixed-domain integral operators on the basis of the elastic displacement wave equation. We have applied k-space adjustment to the pseudospectral solution to allow for a relatively large extrapolation time step. The low-rank approximation was, thus, applied to the spectral operators that simultaneously extrapolate and decompose the elastic wavefields. Synthetic examples on transversely isotropic and orthorhombic models showed that our approach has the potential to efficiently and accurately simulate the propagations of the decoupled quasi-P and quasi-S modes as well as the total wavefields for elastic wave modeling, imaging, and inversion.

Quark-diquark approximation of the three-quark structure of a nucleon and the NN phase shifts

International Nuclear Information System (INIS)

Efimov, G.V.; Ivanov, M.A.

1988-01-01

The quark-diquark approximations of the three-quark structure of a nucleon are considered in the framework of the quark confinement model (QCM) based on definite concepts of the hadronization and quark confinement. The static nucleon characteristics (magnetic moments, ratio G A /G V and strong meson-nucleon coupling constants) are calculated. The behaviour of the electromagnetic and strong nucleon form factors is obtained at the low energy (0≤0 2 =-q 2 2 , where q is a transfer momentum). The one-boson exchange potential is constructed and the NN-phase-shifts are computed. Our results are compared with experiment and the Bonn potential model. 45 refs.; 7 figs.; 3 tabs

Application of the random phase approximation to some atoms with ns2 ground state configurations

International Nuclear Information System (INIS)

Wright, L.A.

1975-01-01

Atomic bound state properties such as excitation energies and oscillator strengths were calculated by the Random Phase Approximation (RPA), also known as the Time Dependent Hartree-Fock Approximation (TDHFA). The RPA is equivalent to describing excited states as the creation of particle-hole pairs and the application to atoms is important for two reasons: the wide range of densities in an atom will cause the physical interpretation and mathematical approximations to be much different than with a uniform density system, such as an electron gas; this method could detect the existence of collective states in atoms similar to those responsible for the giant dipole resonances in nuclei. The method is shown to be superior to the H-F method in three basic ways: (1) The RPA contains explicit correlations between the excited and ground states. These are not included in the H-F theory. One can apply this method to large atoms since only these correlations are explicitly included. (2) The RPA calculates excitation energies directly without recourse to highly correlated ground state wavefunctions. This is in contrast to the method of configuration mixing which is known to have slow convergence properties. (3) Oscillator strengths and photoionization cross sections can be calculated by finding the eigenvectors corresponding excitation energy eigenvalues. The strength of the RPA is that the excitation energies and oscillator strengths, which are relative quantities, are calculated directly. The results for the oscillator strengths show an improvement of up to 45 percent over the H-F values and an improvement over the RPA done with Hartree wavefunctions by as much as 65 percent. The work was limited to atoms with an ns 2 ground state configuration. These atoms were He, Be, Mg and Ca

Association of lipids with integral membrane surface proteins of Mycoplasma hyorhinis

International Nuclear Information System (INIS)

Bricker, T.M.; Boyer, M.J.; Keith, J.; Watson-McKown, R.; Wise, K.S.

1988-01-01

Triton X-114 (TX-114)-phase fractionation was used to identify and characterize integral membrane surface proteins of the wall-less procaryote Mycoplasma hyorhinis GDL. Phase fractionation of mycoplasmas followed by analysis by sodium dodecyl sulfate-polyacrylamide gel electrophoresis revealed selective partitioning of approximately 30 [ 35 S]methionine-labeled intrinsic membrane proteins into the TX-114 phase. Similar analysis of [ 3 H]palmitate-labeled cells showed that approximately 20 proteins of this organism were associated with lipid, all of which also efficiently partitioned as integral membrane components into the detergent phase. Immunoblotting and immunoprecipitation of TX-114-phase proteins from 125 I-surface-labeled cells with four monoclonal antibodies to distinct surface epitopes of M. hyorhinis identified surface proteins p120, p70, p42, and p23 as intrinsic membrane components. Immunoprecipitation of [ 3 H]palmitate-labeled TX-114-phase proteins further established that surface proteins p120, p70, and p23 (a molecule that mediates complement-dependent mycoplasmacidal monoclonal antibody activity) were among the lipid-associated proteins of this organism. Two of these proteins, p120 and p123, were acidic (pI less than or equal to 4.5), as shown by two-dimensional isoelectric focusing. This study established that M. hyorhinis contains an abundance of integral membrane proteins tightly associated with lipids and that many of these proteins are exposed at the external surface of the single limiting plasma membrane. Monoclonal antibodies are reported that will allow detailed analysis of the structure and processing of lipid-associated mycoplasma proteins

Plasmon response in K, Na and Li clusters: systematics using the separable random-phase approximation with pseudo-Hamiltonians

International Nuclear Information System (INIS)

Kleinig, W.; Nesterenko, V.O.; Reinhard, P.-G.; Serra, Ll.

1998-01-01

The systematics of the plasmon response in spherical K, Na and Li clusters in a wide size region (8≤N≤440) is studied. We have considered two simplifying approximations whose validity has been established previously. First, a separable approach to the random-phase approximation is used. This involves an expansion of the residual interaction into a sum of separable terms until convergence is reached. Second, the electron-ion interaction is modelled by using the pseudo-Hamiltonian jellium model (MHJM) which includes nonlocal effects by means of realistic atomic pseudo-Hamiltonians. In cases where nonlocal effects are negligible the Structure Averaged Jellium Model (SAJM) has been used. Good agreement with available experimental data is achieved for K, Na (using the SAJM) and small Li clusters (invoking the PHJM). The trends for peak position and width are generally well reproduced, even up to details of the Landau fragmentation in several clusters. Less good agreement, however, is found for large Li clusters. This remains an open question

Inclusive charged-current neutrino-nucleus reactions calculated with the relativistic quasiparticle random-phase approximation

International Nuclear Information System (INIS)

Paar, N.; Vretenar, D.; Marketin, T.; Ring, P.

2008-01-01

Inclusive neutrino-nucleus cross sections are calculated using a consistent relativistic mean-field theoretical framework. The weak lepton-hadron interaction is expressed in the standard current-current form, the nuclear ground state is described with the relativistic Hartree-Bogoliubov model, and the relevant transitions to excited nuclear states are calculated in the relativistic quasiparticle random-phase approximation. Illustrative test calculations are performed for charged-current neutrino reactions on 12 C, 16 O, 56 Fe, and 208 Pb, and results compared with previous studies and available data. Through the use of the experimental neutrino fluxes, the averaged cross sections are evaluated for nuclei of interest for neutrino detectors. We analyze the total neutrino-nucleus cross sections and the evolution of the contribution of the different multipole excitations as a function of neutrino energy. The cross sections for reactions of supernova neutrinos on 16 O and 208 Pb target nuclei are analyzed as functions of the temperature and chemical potential

Dynamical Mean Field Approximation Applied to Quantum Field Theory

CERN Document Server

Akerlund, Oscar; Georges, Antoine; Werner, Philipp

2013-12-04

We apply the Dynamical Mean Field (DMFT) approximation to the real, scalar phi^4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase and the associated critical exponents nu and beta. We also map out the phase diagram in four dimensions. In two and three dimensions, DMFT incorrectly predicts a first order phase transition for all bare quartic couplings, which is problematic, because the second order nature of the phase transition of lattice phi^4-theory is crucial for taking the continuum limit. Nevertheless, by extrapolating the behaviour away from the phase transition, one can obtain critical couplings and critical exponents. They differ from those of mean field theory and are much closer to the correct values. In four dimensions the transition is sec...

Space Station Freedom environmental control and life support system phase 3 simplified integrated test detailed report

Science.gov (United States)

Roberts, B. C.; Carrasquillo, R. L.; Dubiel, M. Y.; Ogle, K. Y.; Perry, J. L.; Whitley, K. M.

1990-01-01

A description of the phase 3 simplified integrated test (SIT) conducted at the Marshall Space Flight Center (MSFC) Core Module Integration Facility (CMIF) in 1989 is presented. This was the first test in the phase 3 series integrated environmental control and life support systems (ECLSS) tests. The basic goal of the SIT was to achieve full integration of the baseline air revitalization (AR) subsystems for Space Station Freedom. Included is a description of the SIT configuration, a performance analysis of each subsystem, results from air and water sampling, and a discussion of lessons learned from the test. Also included is a full description of the preprototype ECLSS hardware used in the test.

Integrated Si-based nanoplasmonic sensor with phase-sensitive angular interrogation

Energy Technology Data Exchange (ETDEWEB)

Patskovsky, Sergiy; Meunier, Michel [Laser Processing and Plasmonics Laboratory, Ecole Polytechnique de Montreal, C. P. 6079, succ. Centre-Ville, Montreal, QC, H3C 3A7 (Canada)

2013-06-15

This work is related to the development of an integrated Surface Plasmon Resonance (SPR) sensor on silicon platform. The optical properties of metallic nanogratings fabricated on the semiconductor structure allow direct plasmonic detection in transmission mode. Specially designed angular interrogation method provides a periodic signal with phase dependent on the conditions of surface plasmon excitation. Proposed technique leads to sensitivity better than 10{sup -6} RIU for conventional SPR Kretschmann configuration and was tested on the integrated Si-based nanoplasmonic chip. Developed concept is promising for low-cost mono and multi -sensing applications by portable or stationary platforms. (copyright 2013 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Hierarchical sinuous-antenna phased array for millimeter wavelengths

Science.gov (United States)

Cukierman, Ari; Lee, Adrian T.; Raum, Christopher; Suzuki, Aritoki; Westbrook, Benjamin

2018-03-01

We present the design, fabrication, and measured performance of a hierarchical sinuous-antenna phased array coupled to superconducting transition-edge-sensor (TES) bolometers for millimeter wavelengths. The architecture allows for dual-polarization wideband sensitivity with a beam width that is approximately frequency-independent. We report on measurements of a prototype device, which uses three levels of triangular phased arrays to synthesize beams that are approximately constant in width across three frequency bands covering a 3:1 bandwidth. The array element is a lens-coupled sinuous antenna. The device consists of an array of hemispherical lenses coupled to a lithographed wafer, which integrates TESs, planar sinuous antennas, and microwave circuitry including band-defining filters. The approximately frequency-independent beam widths improve coupling to telescope optics and keep the sensitivity of an experiment close to optimal across a broad frequency range. The design can be straightforwardly modified for use with non-TES lithographed cryogenic detectors such as kinetic inductance detectors. Additionally, we report on the design and measurements of a broadband 180° hybrid that can simplify the design of future multichroic focal planes including but not limited to hierarchical phased arrays.

Effective medium super-cell approximation for interacting disordered systems: an alternative real-space derivation of generalized dynamical cluster approximation

International Nuclear Information System (INIS)

Moradian, Rostam

2006-01-01

We develop a generalized real-space effective medium super-cell approximation (EMSCA) method to treat the electronic states of interacting disordered systems. This method is general and allows randomness both in the on-site energies and in the hopping integrals. For a non-interacting disordered system, in the special case of randomness in the on-site energies, this method is equivalent to the non-local coherent potential approximation (NLCPA) derived previously. Also, for an interacting system the EMSCA method leads to the real-space derivation of the generalized dynamical cluster approximation (DCA) for a general lattice structure. We found that the original DCA and the NLCPA are two simple cases of this technique, so the EMSCA is equivalent to the generalized DCA where there is included interaction and randomness in the on-site energies and in the hopping integrals. All of the equations of this formalism are derived by using the effective medium theory in real space

Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

International Nuclear Information System (INIS)

Schurkus, Henry F.; Ochsenfeld, Christian

2016-01-01

An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. 

Low-lying dipole response in the stable 40,48Ca nuclei within the second random-phase approximation

International Nuclear Information System (INIS)

Gambacurta, D.; Grasso, M.; Catara, F.

2012-01-01

The low-lying dipole strength distributions of 40 CaCa and 48 Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle −2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle −1 hole nature and its transition densities.

Low-lying dipole response in the stable 40,48Ca nuclei within the second random-phase approximation

Science.gov (United States)

Gambacurta, D.; Grasso, M.; Catara, F.

2012-10-01

The low-lying dipole strength distributions of 40CaCa and 48Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transition densities.

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.

Science.gov (United States)

Ren, Xinguo; Tkatchenko, Alexandre; Rinke, Patrick; Scheffler, Matthias

2011-04-15

The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice--evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals--leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior can be corrected by adding a "single excitation" contribution, so far not included in the standard RPA scheme. A similar improvement can also be achieved by replacing the non-self-consistent EX total energy by the corresponding self-consistent Hartree-Fock total energy, while retaining the RPA correlation energy evaluated using KS orbitals. Both schemes achieve chemical accuracy for a standard benchmark set of noncovalent intermolecular interactions.

Design of an optical temporal integrator based on a phase-shifted fiber Bragg grating in transmission.

Science.gov (United States)

Quoc Ngo, Nam

2007-10-15

We present a theoretical study of a new application of a simple pi-phase-shifted fiber Bragg grating (PSFBG) in transmission mode as a high-speed optical temporal integrator. The PSFBG consists of two concatenated identical uniform FBGs with a pi phase shift between them. When the reflectivities of the FBGs are extremely close to 100%, the transmissive PSFBG can perform the time integral of the complex envelope of an arbitrary input optical signal with high accuracy. As an example, the integrator is numerically shown to be able to convert an input Gaussian pulse into an optical step signal.

Path integral solution of the Dirichlet problem

International Nuclear Information System (INIS)

LaChapelle, J.

1997-01-01

A scheme for functional integration developed by Cartier/DeWitt-Morette is first reviewed and then employed to construct the path integral representation for the solution of the Dirichlet problem in terms of first exit time. The path integral solution is then applied to calculate the fixed-energy point-to-point transition amplitude both in configuration and phase space. The path integral solution can also be derived using physical principles based on Feynman close-quote s original reasoning. We check that the Fourier transform in energy of the fixed-energy point-to-point transition amplitude gives the well known time-dependent transition amplitude, and calculate the WKB approximation. copyright 1997 Academic Press, Inc

Random-phase-approximation approach to optical and magnetic excitations in the two-dimensional multiband Hubbard model

International Nuclear Information System (INIS)

Yonemitsu, K.; Bishop, A.R.

1992-01-01

As a convenient qualitative approach to strongly correlated electronic systems, an inhomogeneous Hartree-Fock plus random-phase approximation is applied to response functions for the two-dimensional multiband Hubbard model for cuprate superconductors. A comparison of the results with those obtained by exact diagonalization by Wagner, Hanke, and Scalapino [Phys. Rev. B 43, 10 517 (1991)] shows that overall structures in optical and magnetic particle-hole excitation spectra are well reproduced by this method. This approach is computationally simple, retains conceptual clarity, and can be calibrated by comparison with exact results on small systems. Most importantly, it is easily extended to larger systems and straightforward to incorporate additional terms in the Hamiltonian, such as electron-phonon interactions, which may play a crucial role in high-temperature superconductivity

An Integrable SIW Phase Shifter in a Partially Magnetized Ferrite LTCC Package

KAUST Repository

Nafe, Ahmed; Shamim, Atif

2015-01-01

, yielding them unsuitable for this kind of application. In this paper, a novel compact light-weight substrate integrated waveguide (SIW) based phase shifter realized in a multi-layer ferrite low-temperature co-fired ceramic package with embedded bias

Regularized iterative integration combined with non-linear diffusion filtering for phase-contrast x-ray computed tomography.

Science.gov (United States)

Burger, Karin; Koehler, Thomas; Chabior, Michael; Allner, Sebastian; Marschner, Mathias; Fehringer, Andreas; Willner, Marian; Pfeiffer, Franz; Noël, Peter

2014-12-29

Phase-contrast x-ray computed tomography has a high potential to become clinically implemented because of its complementarity to conventional absorption-contrast.In this study, we investigate noise-reducing but resolution-preserving analytical reconstruction methods to improve differential phase-contrast imaging. We apply the non-linear Perona-Malik filter on phase-contrast data prior or post filtered backprojected reconstruction. Secondly, the Hilbert kernel is replaced by regularized iterative integration followed by ramp filtered backprojection as used for absorption-contrast imaging. Combining the Perona-Malik filter with this integration algorithm allows to successfully reveal relevant sample features, quantitatively confirmed by significantly increased structural similarity indices and contrast-to-noise ratios. With this concept, phase-contrast imaging can be performed at considerably lower dose.

An Origami Approximation to the Cosmic Web

Science.gov (United States)

Neyrinck, Mark C.

2016-10-01

The powerful Lagrangian view of structure formation was essentially introduced to cosmology by Zel'dovich. In the current cosmological paradigm, a dark-matter-sheet 3D manifold, inhabiting 6D position-velocity phase space, was flat (with vanishing velocity) at the big bang. Afterward, gravity stretched and bunched the sheet together in different places, forming a cosmic web when projected to the position coordinates. Here, I explain some properties of an origami approximation, in which the sheet does not stretch or contract (an assumption that is false in general), but is allowed to fold. Even without stretching, the sheet can form an idealized cosmic web, with convex polyhedral voids separated by straight walls and filaments, joined by convex polyhedral nodes. The nodes form in `polygonal' or `polyhedral' collapse, somewhat like spherical/ellipsoidal collapse, except incorporating simultaneous filament and wall formation. The origami approximation allows phase-space geometries of nodes, filaments, and walls to be more easily understood, and may aid in understanding spin correlations between nearby galaxies. This contribution explores kinematic origami-approximation models giving velocity fields for the first time.

Integration of Magneto-Optical Materials for Novel Optical Devices & Magnetophotonic Crystals, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — This work proposes to capitalize on our Phase I success in monolithically integrating magneto-optic and magnetic materials with semiconductor platforms in order to...

Integrated thermal treatment system study -- Phase 2 results. Revision 1

Energy Technology Data Exchange (ETDEWEB)

Feizollahi, F.; Quapp, W.J.

1996-02-01

This report presents the second phase of a study on thermal treatment technologies. The study consists of a systematic assessment of nineteen thermal treatment alternatives for the contact-handled mixed low-level waste (MLLW) currently stored in the US Department of Energy complex. The treatment alternatives consist of widely varying technologies for safely destroying the hazardous organic components, reducing the volume, and preparing for final disposal of the MLLW. The alternatives considered in Phase 2 were innovative thermal treatments with nine types of primary processing units. Other variations in the study examined the effect of combustion gas, air pollution control system design, and stabilization technology for the treatment residues. The Phase 1 study examined ten initial thermal treatment alternatives. The Phase 2 systems were evaluated in essentially the same manner as the Phase 1 systems. The alternatives evaluated were: rotary kiln, slagging kiln, plasma furnace, plasma gasification, molten salt oxidation, molten metal waste destruction, steam gasification, Joule-heated vitrification, thermal desorption and mediated electrochemical oxidation, and thermal desorption and supercritical water oxidation. The quantities, and physical and chemical compositions, of the input waste used in the Phase 2 systems differ from those in the Phase 1 systems, which were based on a preliminary waste input database developed at the onset of the Integrated Thermal Treatment System study. The inventory database used in the Phase 2 study incorporates the latest US Department of Energy information. All systems, both primary treatment systems and subsystem inputs, have now been evaluated using the same waste input (2,927 lb/hr). 28 refs., 88 figs., 41 tabs.

Integrated thermal treatment system study -- Phase 2 results. Revision 1

International Nuclear Information System (INIS)

Feizollahi, F.; Quapp, W.J.

1996-02-01

This report presents the second phase of a study on thermal treatment technologies. The study consists of a systematic assessment of nineteen thermal treatment alternatives for the contact-handled mixed low-level waste (MLLW) currently stored in the US Department of Energy complex. The treatment alternatives consist of widely varying technologies for safely destroying the hazardous organic components, reducing the volume, and preparing for final disposal of the MLLW. The alternatives considered in Phase 2 were innovative thermal treatments with nine types of primary processing units. Other variations in the study examined the effect of combustion gas, air pollution control system design, and stabilization technology for the treatment residues. The Phase 1 study examined ten initial thermal treatment alternatives. The Phase 2 systems were evaluated in essentially the same manner as the Phase 1 systems. The alternatives evaluated were: rotary kiln, slagging kiln, plasma furnace, plasma gasification, molten salt oxidation, molten metal waste destruction, steam gasification, Joule-heated vitrification, thermal desorption and mediated electrochemical oxidation, and thermal desorption and supercritical water oxidation. The quantities, and physical and chemical compositions, of the input waste used in the Phase 2 systems differ from those in the Phase 1 systems, which were based on a preliminary waste input database developed at the onset of the Integrated Thermal Treatment System study. The inventory database used in the Phase 2 study incorporates the latest US Department of Energy information. All systems, both primary treatment systems and subsystem inputs, have now been evaluated using the same waste input (2,927 lb/hr). 28 refs., 88 figs., 41 tabs

Fabricating and Characterizing the Microfluidic Solid Phase Extraction Module Coupling with Integrated ESI Emitters

Directory of Open Access Journals (Sweden)

Hangbin Tang

2018-05-01

Full Text Available Microfluidic chips coupling with mass spectrometry (MS will be of great significance to the development of relevant instruments involving chemical and bio-chemical analysis, drug detection, food and environmental applications and so on. In our previous works, we proposed two types of microfluidic electrospray ionization (ESI chip coupling with MS: the two-phase flow focusing (FF ESI microfluidic chip and the corner-integrated ESI emitter, respectively. However the pretreatment module integrated with these ESI emitters is still a challenging problem. In this paper, we concentrated on integrating the solid phase micro-extraction (SPME module with our previous proposed on-chip ESI emitters; the fabrication processes of such SPME module are fully compatible with our previous proposed ESI emitters based on the multi-layer soft lithography. We optimized the structure of the integrated chip and characterized its performance using standard samples. Furthermore, we verified its abilities of salt removal, extraction of multiple analytes and separation through on-chip elution using mimic biological urine spiked with different drugs. The results indicated that our proposed integrated module with ESI emitters is practical and effective for real biological sample pretreatment and MS detection.

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r {sup 6}) to O(r {sup 4})

Energy Technology Data Exchange (ETDEWEB)

Shenvi, Neil; Yang, Yang; Yang, Weitao [Department of Chemistry, Duke University, Durham, NC 27708 (United States); Aggelen, Helen van [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States)

2014-07-14

In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to produce the tensor-hypercontracted particle-particle RPA (THC-ppRPA) algorithm. Unlike previous implementations of ppRPA which scale as O(r{sup 6}), the THC-ppRPA algorithm scales asymptotically as only O(r{sup 4}), albeit with a much larger prefactor than the traditional algorithm. We apply THC-ppRPA to several model systems and show that it yields the same results as traditional ppRPA to within mH accuracy. Our method opens the door to the development of post-Kohn Sham functionals based on ppRPA without the excessive asymptotic cost of traditional ppRPA implementations.

WKB: an interactive code for solving differential equations using phase integral methods

International Nuclear Information System (INIS)

White, R.B.

1978-01-01

A small code for the analysis of ordinary differential equations interactively through the use of Phase Integral Methods (WKB) has been written for use on the DEC 10. This note is a descriptive manual for those interested in using the code

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

Science.gov (United States)

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

2014-11-14

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

A Critical Examination of Frequency-Fixed Second-Order Generalized Integrator-Based Phase-Locked Loops

DEFF Research Database (Denmark)

Golestan, Saeed; Mousazadeh Mousavi, Seyyed-Yousef; Guerrero, Josep M.

2017-01-01

The implementation of a large number of single-phase phase-locked loops (PLLs) involves creating a fictitious quadrature signal. A popular approach for this purpose is using a second-order generalized integrator-based quadrature signal generator (SOGIQSG) because it results in an acceptable speed......-based PLLs (FFSOGI-PLLs) to highlight their real advantages and disadvantages....

Relaxation and Numerical Approximation of a Two-Fluid Two-Pressure Diphasic Model

International Nuclear Information System (INIS)

Ambroso, A.; Chalons, Ch.; Galie, Th.; Chalons, Ch.; Coquel, F.; Coquel, F.

2009-01-01

This paper is concerned with the numerical approximation of the solutions of a two-fluid two-pressure model used in the modelling of two-phase flows. We present a relaxation strategy for easily dealing with both the nonlinearities associated with the pressure laws and the nonconservative terms that are inherently present in the set of convective equations and that couple the two phases. In particular, the proposed approximate Riemann solver is given by explicit formulas, preserves the natural phase space, and exactly captures the coupling waves between the two phases. Numerical evidences are given to corroborate the validity of our approach. (authors)

High-K precession modes: Axially symmetric limit of wobbling motion in the cranked random-phase approximation description

International Nuclear Information System (INIS)

Shimizu, Yoshifumi R.; Matsuzaki, Masayuki; Matsuyanagi, Kenichi

2005-01-01

The rotational band built on the high-K multi-quasiparticle state can be interpreted as a multi-phonon band of the precession mode, which represents the precessional rotation about the axis perpendicular to the direction of the intrinsic angular momentum. By using the axially symmetric limit of the random-phase approximation (RPA) formalism developed for the nuclear wobbling motion, we study the properties of the precession modes in 178 W: the excitation energies, B(E2) and B(M1) values. We show that the excitations of such a specific type of rotation can be well described by the RPA formalism, which gives new insight into the wobbling motion in the triaxial superdeformed nuclei from a microscopic viewpoint

Gaussian and 1/N approximations in semiclassical cosmology

International Nuclear Information System (INIS)

Mazzitelli, F.D.; Paz, J.P.

1989-01-01

We study the λphi 4 theory and the interacting O(N) model in a curved background using the Gaussian approximation for the former and the large-N approximation for the latter. We obtain the renormalized version of the semiclassical Einstein equations having in mind a future application of these models to investigate the physics of the very early Universe. We show that, while the Gaussian approximation has two different phases, in the large-N limit only one is present. The different features of the two phases are analyzed at the level of the effective field equations. We discuss the initial-value problem and find the initial conditions that make the theory renormalizable. As an example, we study the de Sitter self-consistent solutions of the semiclassical Einstein equations. Finally, for an identically zero mean value of the field we find the evolution equations for the classical field Ω(x) = (λ 2 >)/sup 1/2/ and the spacetime metric. They are very similar to the ones obtained by replacing the classical potential by the one-loop effective potential in the classical equations but do not have the drawbacks of the one-loop approximation

New three-phase ac-ac converter incorporating three-phase boost integrated ZVT bridge and single-phase HF link

International Nuclear Information System (INIS)

Abdelhamid, Tamer H.; Sabzali, Ahmad J.

2008-01-01

This paper presents a new zero voltage transition (ZVT), power factor corrected three phase ac-ac converter with single phase high frequency (HF) link. It is a two stage converter; the first stage is a boost integrated bridge converter (combination of a 3 ph boost converter and a bridge converter) operated at fixed frequency and that operates in two modes at ZVT for all switches and establishes a 1 ph square wave HF link. The second stage is a bi-directional pulse width modulation (PWM) 3 ph bridge that converts the 1 ph HF link to a 3 ph voltage using a novel switching strategy. The converter modes of operation and key equations are outlined. Simulation of the overall system is conducted using Simulink. The switching strategy and its corresponding control circuit are clearly described. Experimental verification of the simulation is conducted for a prototype of 100 V, 500 W at 10 kHz link frequency

Scattering theory and effective medium approximations to heterogeneous materials

International Nuclear Information System (INIS)

Gubernatis, J.E.

1977-01-01

The formal analogy existing between problems studied in the microscopic theory of disordered alloys and problems concerned with the effective (macroscopic) behavior of heterogeneous materials is discussed. Attention is focused on (1) analogous approximations (effective medium approximations) developed for the microscopic problems by scattering theory concepts and techniques, but for the macroscopic problems principally by intuitive means, (2) the link, provided by scattering theory, of the intuitively developed approximations to a well-defined perturbative analysis, (3) the possible presence of conditionally convergent integrals in effective medium approximations

Process integration and waste heat recovery in Lithuanian and Danish industry. Final report phase 1

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-08-01

The present document forms the Final Report for the first phase of the project `Process Integration and Waste Heat Recovery in Lithuanian and Danish Industry`. The project is carried out in the period 1995-1998 in a co-operation between the COWI offices in Lyngby and Vilnius, The Technical University of Denmark (Institute for Energetics), Kaunas University of Technology (CIPAI) and Vilnius Technical University, financed by The Danish Ministry of Energy`s EFP-95-programme, Lithuanian Energy Agency as well as the participants. The first phase of the project has comprised the establishment of the CIPAI centre (Centre for Industrial Process Analysis and Integration) at Kaunas University of Technology, training and knowledge transfer as well as elaboration of 6 industrial case-studies within the area of `Process Integration and waste Heat Recovery`. The second phase of the project has comprised R and D activities in this area in order to present general conclusions from the project as well as to present new and improved methods and tools for PI-analysis. The aim of the Final Report for the first phase of the project is to summarise project activities and the achieved results from case-studies and from the operation of the CIPAI-centre in general. (au)

Optimal Piecewise-Linear Approximation of the Quadratic Chaotic Dynamics

Directory of Open Access Journals (Sweden)

J. Petrzela

2012-04-01

Full Text Available This paper shows the influence of piecewise-linear approximation on the global dynamics associated with autonomous third-order dynamical systems with the quadratic vector fields. The novel method for optimal nonlinear function approximation preserving the system behavior is proposed and experimentally verified. This approach is based on the calculation of the state attractor metric dimension inside a stochastic optimization routine. The approximated systems are compared to the original by means of the numerical integration. Real electronic circuits representing individual dynamical systems are derived using classical as well as integrator-based synthesis and verified by time-domain analysis in Orcad Pspice simulator. The universality of the proposed method is briefly discussed, especially from the viewpoint of the higher-order dynamical systems. Future topics and perspectives are also provided

Army-NASA aircrew/aircraft integration program (A3I) software detailed design document, phase 3

Science.gov (United States)

Banda, Carolyn; Chiu, Alex; Helms, Gretchen; Hsieh, Tehming; Lui, Andrew; Murray, Jerry; Shankar, Renuka

1990-01-01

The capabilities and design approach of the MIDAS (Man-machine Integration Design and Analysis System) computer-aided engineering (CAE) workstation under development by the Army-NASA Aircrew/Aircraft Integration Program is detailed. This workstation uses graphic, symbolic, and numeric prototyping tools and human performance models as part of an integrated design/analysis environment for crewstation human engineering. Developed incrementally, the requirements and design for Phase 3 (Dec. 1987 to Jun. 1989) are described. Software tools/models developed or significantly modified during this phase included: an interactive 3-D graphic cockpit design editor; multiple-perspective graphic views to observe simulation scenarios; symbolic methods to model the mission decomposition, equipment functions, pilot tasking and loading, as well as control the simulation; a 3-D dynamic anthropometric model; an intermachine communications package; and a training assessment component. These components were successfully used during Phase 3 to demonstrate the complex interactions and human engineering findings involved with a proposed cockpit communications design change in a simulated AH-64A Apache helicopter/mission that maps to empirical data from a similar study and AH-1 Cobra flight test.

Long-time analytic approximation of large stochastic oscillators: Simulation, analysis and inference.

Directory of Open Access Journals (Sweden)

Giorgos Minas

2017-07-01

Full Text Available In order to analyse large complex stochastic dynamical models such as those studied in systems biology there is currently a great need for both analytical tools and also algorithms for accurate and fast simulation and estimation. We present a new stochastic approximation of biological oscillators that addresses these needs. Our method, called phase-corrected LNA (pcLNA overcomes the main limitations of the standard Linear Noise Approximation (LNA to remain uniformly accurate for long times, still maintaining the speed and analytically tractability of the LNA. As part of this, we develop analytical expressions for key probability distributions and associated quantities, such as the Fisher Information Matrix and Kullback-Leibler divergence and we introduce a new approach to system-global sensitivity analysis. We also present algorithms for statistical inference and for long-term simulation of oscillating systems that are shown to be as accurate but much faster than leaping algorithms and algorithms for integration of diffusion equations. Stochastic versions of published models of the circadian clock and NF-κB system are used to illustrate our results.

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

Science.gov (United States)

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

2018-03-01

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

Evaluation of variational approximations

International Nuclear Information System (INIS)

Trevisan, L.A.

1991-01-01

In Feynman's approach to quantum statistical mechanics, the partition function can e represented as a path integral. A recently proposed variation method of Feynman-Kleinert is able to transform the path integral into an integral in phase space, in which the quantum fluctuations have been taken care of by introducing the effective classical potential. This method has been testes with succeed for the smooth potentials and for the singular potential of delta. The method to the strong singular potentials is applied: a quadratic potential and a linear potential both with a rigid wall at the origin. By satisfying the condition that the density of the particle be vanish at the origin, and adapted method of Feynman-Kleinert in order to improve the method is introduced. (author)

S-wave pion-nucleon phase shifts in PADE approximation

International Nuclear Information System (INIS)

Achuthan, P.; Chandramohan, T.; Venkatesan, K.

1978-01-01

The two S-wave pion nucleon pahse shifts delta( 1 ) (I = 1/2) and delta( 3 ) (I = 3/2) have been calculated in the Pade approximation using epsilon(700), rho(770), f(1260), Δ(1236) and N(938) for the energy range W = 1085 MeV - 1820 MeV in the centre of mass. Contributions from suitable resonance combinations which agree nearest with the delta( 3 ) experimental values are given. (orig.) [de

Reduced-Contrast Approximations for High-Contrast Multiscale Flow Problems

KAUST Repository

Chung, Eric T.; Efendiev, Yalchin

2010-01-01

In this paper, we study multiscale methods for high-contrast elliptic problems where the media properties change dramatically. The disparity in the media properties (also referred to as high contrast in the paper) introduces an additional scale that needs to be resolved in multiscale simulations. First, we present a construction that uses an integral equation to represent the highcontrast component of the solution. This representation involves solving an integral equation along the interface where the coefficients are discontinuous. The integral representation suggests some multiscale approaches that are discussed in the paper. One of these approaches entails the use of interface functions in addition to multiscale basis functions representing the heterogeneities without high contrast. In this paper, we propose an approximation for the solution of the integral equation using the interface problems in reduced-contrast media. Reduced-contrast media are obtained by lowering the variance of the coefficients. We also propose a similar approach for the solution of the elliptic equation without using an integral representation. This approach is simpler to use in the computations because it does not involve setting up integral equations. The main idea of this approach is to approximate the solution of the high-contrast problem by the solutions of the problems formulated in reduced-contrast media. In this approach, a rapidly converging sequence is proposed where only problems with lower contrast are solved. It was shown that this sequence possesses the convergence rate that is inversely proportional to the reduced contrast. This approximation allows choosing the reduced-contrast problem based on the coarse-mesh size as discussed in this paper. We present a simple application of this approach to homogenization of elliptic equations with high-contrast coefficients. The presented approaches are limited to the cases where there are sharp changes in the contrast (i.e., the high

High-order harmonic propagation in gases within the discrete dipole approximation

International Nuclear Information System (INIS)

Hernandez-Garcia, C.; Perez-Hernandez, J. A.; Ramos, J.; Jarque, E. Conejero; Plaja, L.; Roso, L.

2010-01-01

We present an efficient approach for computing high-order harmonic propagation based on the discrete dipole approximation. In contrast with other approaches, our strategy is based on computing the total field as the superposition of the driving field with the field radiated by the elemental emitters of the sample. In this way we avoid the numerical integration of the wave equation, as Maxwell's equations have an analytical solution for an elementary (pointlike) emitter. The present strategy is valid for low-pressure gases interacting with strong fields near the saturation threshold (i.e., partially ionized), which is a common situation in the experiments of high-order harmonic generation. We use this tool to study the dependence of phase matching of high-order harmonics with the relative position between the beam focus and the gas jet.

Phase loop bandwidth measurements on the advanced photon source 352 MHz rf systems

International Nuclear Information System (INIS)

Horan, D.; Nassiri, A.; Schwartz, C.

1997-01-01

Phase loop bandwidth tests were performed on the Advanced Photon Source storage ring 352-MHz rf systems. These measurements were made using the HP3563A Control Systems Analyzer, with the rf systems running at 30 kilowatts into each of the storage ring cavities, without stored beam. An electronic phase shifter was used to inject approximately 14 degrees of stimulated phase shift into the low-level rf system, which produced measureable response voltage in the feedback loops without upsetting normal rf system operation. With the PID (proportional-integral-differential) amplifier settings at the values used during accelerator operation, the measurement data revealed that the 3-dB response for the cavity sum and klystron power-phase loops is approximately 7 kHz and 45 kHz, respectively, with the cavities the primary bandwidth-limiting factor in the cavity-sum loop. Data were taken at various PID settings until the loops became unstable. Crosstalk between the two phase loops was measured

Low-lying dipole response in the stable {sup 40,48}Ca nuclei within the second random-phase approximation

Energy Technology Data Exchange (ETDEWEB)

Gambacurta, D.; Grasso, M.; Catara, F. [GANIL,CEA/DSM-CNRS/IN2P3, Caen (France); Institut de Physique Nucleaire, Universite Paris-Sud, IN2P3-CNRS, F-91406 Orsay Cedex (France); Dipartimento di Fisica e Astronomia dell' Universita di and INFN Catania (Italy)

2012-10-20

The low-lying dipole strength distributions of {sup 40}CaCa and {sup 48}Ca, in the energy region between 5 and 10 MeV, are studied within the second random phase approximation (RPA) with Skyrme interaction. Standard RPA models do not usually predict any presence of strength in this energy region, while experimentally a significant amount of strength is found. The inclusion of the 2 particle -2 hole configurations allows to obtain a description in a rather good agreement with the experimental data. The properties of the most collective state are analyzed in terms of its 1 particle -1 hole nature and its transition densities.

Exact solutions for fermionic Green's functions in the Bloch-Nordsieck approximation of QED

International Nuclear Information System (INIS)

Kernemann, A.; Stefanis, N.G.

1989-01-01

A set of new closed-form solutions for fermionic Green's functions in the Bloch-Nordsieck approximation of QED is presented. A manifestly covariant phase-space path-integral method is applied for calculating the n-fermion Green's function in a classical external field. In the case of one and two fermions, explicit expressions for the full Green's functions are analytically obtained, with renormalization carried out in the modified minimal subtraction scheme. The renormalization constants and the corresponding anomalous dimensions are determined. The mass-shell behavior of the two-fermion Green's function is investigated in detail. No assumptions are made concerning the structure of asymptotic states and no IR cutoff is used in the calculations

Approximating tunneling rates in multi-dimensional field spaces

Energy Technology Data Exchange (ETDEWEB)

Masoumi, Ali; Olum, Ken D.; Wachter, Jeremy M., E-mail: ali@cosmos.phy.tufts.edu, E-mail: kdo@cosmos.phy.tufts.edu, E-mail: Jeremy.Wachter@tufts.edu [Institute of Cosmology, Department of Physics and Astronomy, Tufts University, Medford, MA 02155 (United States)

2017-10-01

Quantum mechanics makes the otherwise stable vacua of a theory metastable through the nucleation of bubbles of the new vacuum. This in turn causes a first order phase transition. These cosmological phase transitions may have played an important role in settling our universe into its current vacuum, and they may also happen in future. The most important frameworks where vacuum decay happens contain a large number of fields. Unfortunately, calculating the tunneling rates in these models is very time-consuming. In this paper we present a simple approximation for the tunneling rate by reducing it to a one-field problem which is easy to calculate. We demonstrate the validity of this approximation using our recent code 'Anybubble' for several classes of potentials.

Ambiguities of functional integrals for fermionic systems

International Nuclear Information System (INIS)

Cordero, P.

1981-01-01

We study the path integral quantization of a purely fermionic system in the semiclassical approximation. It is crucial that the analogue of the usual method of stationary phase works for integrals over Grassmann variables. Our analysis is based on a quite trivial example (the exact solution is known), and therefore we can check when the results make sense. It is shown that just as in the boson case the path integral method depends on the discretization (we use the Faddeev discretization) and some attempts to do the same derivations directly in the continuous time limit are shown to yield either ill-defined objects or simply wrong results. It seems correct to conclude that the key point is the discretization

Dynamic and static correlation functions in the inhomogeneous Hartree-Fock-state approach with random-phase-approximation fluctuations

International Nuclear Information System (INIS)

Lorenzana, J.; Grynberg, M.D.; Yu, L.; Yonemitsu, K.; Bishop, A.R.

1992-11-01

The ground state energy, and static and dynamic correlation functions are investigated in the inhomogeneous Hartree-Fock (HF) plus random phase approximation (RPA) approach applied to a one-dimensional spinless fermion model showing self-trapped doping states at the mean field level. Results are compared with homogeneous HF and exact diagonalization. RPA fluctuations added to the generally inhomogeneous HF ground state allows the computation of dynamical correlation functions that compare well with exact diagonalization results. The RPA correction to the ground state energy agrees well with the exact results at strong and weak coupling limits. We also compare it with a related quasi-boson approach. The instability towards self-trapped behaviour is signaled by a RPA mode with frequency approaching zero. (author). 21 refs, 10 figs

Approximation of the decay of fission and activation product mixtures

International Nuclear Information System (INIS)

Henderson, R.W.

1991-01-01

The decay of the exposure rate from a mixture of fission and activation products is a complex function of time. The exact solution of the problem involves the solution of more than 150 tenth order Bateman equations. An approximation of this function is required for the practical solution of problems involving multiple integrations of this function. Historically this has been a power function, or a series of power functions, of time. The approach selected here has been to approximate the decay with a sum of exponential functions. This produces a continuous, single valued function, that can be made to approximate the given decay scheme to any desired degree of closeness. Further, the integral of the sum is easily calculated over any period. 3 refs

Stark effect in a hydrogenic atom or ion treated by the phase-integral method with adjoined papers by A. Hökback and P. O. Fröman

CERN Document Server

Fröman, Nanny

2008-01-01

This book treats the Stark effect of a hydrogenic atom or ion in a homogeneous electric field. It begins with a thorough review of previous work in this field since 1926. After the Schrödinger equation has been separated with respect to time dependence, centre of mass motion and internal motion, followed by a discussion of its eigenfunctions, the exact development in time of the probability amplitude for a decaying state is obtained by means of a formula analogous to the Fock-Krylov theorem. From this formula one obtains by means of the phase-integral approximation generated from a particular

Diophantine approximation and badly approximable sets

DEFF Research Database (Denmark)

Kristensen, S.; Thorn, R.; Velani, S.

2006-01-01

. The classical set Bad of `badly approximable' numbers in the theory of Diophantine approximation falls within our framework as do the sets Bad(i,j) of simultaneously badly approximable numbers. Under various natural conditions we prove that the badly approximable subsets of Omega have full Hausdorff dimension...

On the rational approximation of the bidimensional potentials

International Nuclear Information System (INIS)

Niculescu, V.I.R; Catana, D.

1997-01-01

In the present letter we introduced a symmetrical bidimensional potential with Woods-Saxon tail. The potential approximation has permitted to replace in the matrix the evaluation of double integration by a product of two integrals. That implied a complexity reduction in the Hamiltonian eigenvalue and eigenvector evaluation. Also, the harmonic bidimensional basis simplifies significantly the evaluation of electric multipole operators. (authors)

Chiral NNLOsat descriptions of nuclear multipole resonances within the random-phase approximation

Science.gov (United States)

Wu, Q.; Hu, B. S.; Xu, F. R.; Ma, Y. Z.; Dai, S. J.; Sun, Z. H.; Jansen, G. R.

2018-05-01

We study nuclear multipole resonances in the framework of the random-phase approximation by using the chiral potential NNLOsat. This potential includes two- and three-body terms that have been simultaneously optimized to low-energy nucleon-nucleon scattering data and selected nuclear structure data. Our main focuses have been the isoscalar monopole, isovector dipole, and isoscalar quadrupole resonances of the closed-shell nuclei, 4He, O 16 ,22 ,24 , and Ca,4840. These resonance modes have been widely observed in experiment. In addition, we use a renormalized chiral potential Vlow-k, based on the N3LO two-body potential by Entem and Machleidt [Phys. Rev. C 68, 041001 (2011), 10.1103/PhysRevC.68.041001]. This introduces a dependency on the cutoff parameter used in the normalization procedure as reported in previous works by other groups. While NNLOsat can reasonably reproduce observed multipole resonances, it is not possible to find a single cutoff parameter for the Vlow-k potential that simultaneously describes the different types of resonance modes. The sensitivity to the cutoff parameter can be explained by missing induced three-body forces in the calculations. Our results for neutron-rich O,2422 show a mixing nature of isoscalar and isovector resonances in the dipole channel at low energies. We predict that 22O and 24O have low-energy isoscalar quadrupole resonances at energies lower than 5 MeV.

Milstein Approximation for Advection-Diffusion Equations Driven by Multiplicative Noncontinuous Martingale Noises

International Nuclear Information System (INIS)

Barth, Andrea; Lang, Annika

2012-01-01

In this paper, the strong approximation of a stochastic partial differential equation, whose differential operator is of advection-diffusion type and which is driven by a multiplicative, infinite dimensional, càdlàg, square integrable martingale, is presented. A finite dimensional projection of the infinite dimensional equation, for example a Galerkin projection, with nonequidistant time stepping is used. Error estimates for the discretized equation are derived in L 2 and almost sure senses. Besides space and time discretizations, noise approximations are also provided, where the Milstein double stochastic integral is approximated in such a way that the overall complexity is not increased compared to an Euler–Maruyama approximation. Finally, simulations complete the paper.

Self-consistent GW0 results for the electron gas: Fixed screened potential W0 within the random-phase approximation

International Nuclear Information System (INIS)

von Barth, U.; Holm, B.

1996-01-01

With the aim of properly understanding the basis for and the utility of many-body perturbation theory as applied to extended metallic systems, we have calculated the electronic self-energy of the homogeneous electron gas within the GW approximation. The calculation has been carried out in a self-consistent way; i.e., the one-electron Green function obtained from Dyson close-quote s equation is the same as that used to calculate the self-energy. The self-consistency is restricted in the sense that the screened interaction W is kept fixed and equal to that of the random-phase approximation for the gas. We have found that the final results are marginally affected by the broadening of the quasiparticles, and that their self-consistent energies are still close to their free-electron counterparts as they are in non-self-consistent calculations. The reduction in strength of the quasiparticles and the development of satellite structure (plasmons) gives, however, a markedly smaller dynamical self-energy leading to, e.g., a smaller reduction in the quasiparticle strength as compared to non-self-consistent results. The relatively bad description of plasmon structure within the non-self-consistent GW approximation is marginally improved. A first attempt at including W in the self-consistency cycle leads to an even broader and structureless satellite spectrum in disagreement with experiment. copyright 1996 The American Physical Society

Pair Correlation Function Integrals

DEFF Research Database (Denmark)

Wedberg, Nils Hejle Rasmus Ingemar; O'Connell, John P.; Peters, Günther H.J.

2011-01-01

We describe a method for extending radial distribution functions obtained from molecular simulations of pure and mixed molecular fluids to arbitrary distances. The method allows total correlation function integrals to be reliably calculated from simulations of relatively small systems. The long......-distance behavior of radial distribution functions is determined by requiring that the corresponding direct correlation functions follow certain approximations at long distances. We have briefly described the method and tested its performance in previous communications [R. Wedberg, J. P. O’Connell, G. H. Peters......, and J. Abildskov, Mol. Simul. 36, 1243 (2010); Fluid Phase Equilib. 302, 32 (2011)], but describe here its theoretical basis more thoroughly and derive long-distance approximations for the direct correlation functions. We describe the numerical implementation of the method in detail, and report...

The dilute random field Ising model by finite cluster approximation

International Nuclear Information System (INIS)

Benyoussef, A.; Saber, M.

1987-09-01

Using the finite cluster approximation, phase diagrams of bond and site diluted three-dimensional simple cubic Ising models with a random field have been determined. The resulting phase diagrams have the same general features for both bond and site dilution. (author). 7 refs, 4 figs

Polygonal-path approximation on the path spaces of quantum mechanical systems: extended Feynman maps

International Nuclear Information System (INIS)

Exner, R.; Kolerov, G.I.

1981-01-01

Various types of polygonal-path approximations appearing in the functional-integration theory are discussed. The uniform approximation is applied to extend the definition of the Feynman maps from our previous paper and to prove consistency of this extension. Relations of the extended Fsub(-i)-map to the Wiener integral are given. In particular, the basic theorem about the sequential Wiener integral by Cameron is improved [ru

Geometrical-optics approximation of forward scattering by gradient-index spheres.

Science.gov (United States)

Li, Xiangzhen; Han, Xiang'e; Li, Renxian; Jiang, Huifen

2007-08-01

By means of geometrical optics we present an approximation method for acceleration of the computation of the scattering intensity distribution within a forward angular range (0-60 degrees ) for gradient-index spheres illuminated by a plane wave. The incident angle of reflected light is determined by the scattering angle, thus improving the approximation accuracy. The scattering angle and the optical path length are numerically integrated by a general-purpose integrator. With some special index models, the scattering angle and the optical path length can be expressed by a unique function and the calculation is faster. This method is proved effective for transparent particles with size parameters greater than 50. It fails to give good approximation results at scattering angles whose refractive rays are in the backward direction. For different index models, the geometrical-optics approximation is effective only for forward angles, typically those less than 60 degrees or when the refractive-index difference of a particle is less than a certain value.

Integration of the CMS Phase 1 Pixel Detector

CERN Document Server

Kornmayer, Andreas

2018-01-01

During the extended year-end technical stop 2016/17 the CMS Pixel Detector has been replaced. The new Phase 1 Pixel Detector is designed for a luminosity that could exceed $\\text{L} = 2x10^{34} cm^{−2}s^{−1}$. With one additional layer in the barrel and the forward region of the new detector, combined with the higher hit rates as the LHC luminosity increases, these conditions called for an upgrade of the data acquisition system, which was realised based on the $\\mu$TCA standard. This contribution focuses on the experiences with integration of the new detector readout and control system and reports on the operational performance of the CMS Pixel detector.

Steam generator tube integrity program. Phase I report

International Nuclear Information System (INIS)

Alzheimer, J.M.; Clark, R.A.; Morris, C.J.; Vagins, M.

1979-09-01

The results are presented of the pressure tests performed as part of Phase I of the Steam Generator Tube Integrity (SGTI) program at Battelle Pacific Northwest Laboratory. These tests were performed to establish margin-to-failure predictions for mechanically defected Pressurized Water Reactor (PWR) steam generator tubing under operating and accident conditions. Defect geometries tested were selected because they simulate known or expected defects in PWR steam generators. These defect geometries are Electric Discharge Machining (EDM) slots, elliptical wastage, elliptical wastage plus through-wall slot, uniform thinning, denting, denting plus uniform thinning, and denting plus elliptical wastage. All defects were placed in tubing representative of that currently used in PWR steam generators

Electromagnetic modeling and characterization of an optically-controlled microwave phase shifterin GaAs integrated technology

OpenAIRE

Tripon-Canseliet, C.; Faci, S.; Deshours, F.; Algani, C.; Alquié, G.; Formont, S.; Chazelas, J.

2005-01-01

A state of the art of the modeling of microwave photoswitching devices is exposed. A new 3 D electromagnetic modeling allows the design of an optically-controlled microwave phase shifter microwave starting from the traditional circuit of a microwave photoswitch. Measurements of the parameters S of this optically-controlled microwave phase shifter attests the function of this circuit by optical way and highlights the interest of the integration of this new type of microwave phase shifters in ...

Approximate representation of optimal strategies from influence diagrams

DEFF Research Database (Denmark)

Jensen, Finn V.

2008-01-01

, and where the policy functions for the decisions have so large do- mains that they cannot be represented directly in a strategy tree. The approach is to have separate ID representations for each decision variable. In each representation the actual information is fully exploited, however the representation...... of policies for future decisions are approximations. We call the approximation information abstraction. It consists in introducing a dummy structure connecting the past with the decision. We study how to specify, implement and learn information abstraction.......There are three phases in the life of a decision problem, specification, solution, and rep- resentation of solution. The specification and solution phases are off-line, while the rep- resention of solution often shall serve an on-line situation with rather tough constraints on time and space. One...

Multijet final states: exact results and the leading pole approximation

International Nuclear Information System (INIS)

Ellis, R.K.; Owens, J.F.

1984-09-01

Exact results for the process gg → ggg are compared with those obtained using the leading pole approximation. Regions of phase space where the approximation breaks down are discussed. A specific example relevant for background estimates to W boson production is presented. It is concluded that in this instance the leading pole approximation may underestimate the standard QCD background by more than a factor of two in certain kinematic regions of physical interest

An Integrated Inductor For Parallel Interleaved Three-Phase Voltage Source Converters

DEFF Research Database (Denmark)

Gohil, Ghanshyamsinh Vijaysinh; Bede, Lorand; Teodorescu, Remus

2016-01-01

Three phase Voltage Source Converters (VSCs) are often connected in parallel to realize high current output converter system. The harmonic quality of the resultant switched output voltage can be improved by interleaving the carrier signals of these parallel connected VSCs. As a result, the line...... of the state-of-the-art filtering solution. The performance of the integrated inductor is also verified by the experimental measurements....

Topology, calculus and approximation

CERN Document Server

Komornik, Vilmos

2017-01-01

Presenting basic results of topology, calculus of several variables, and approximation theory which are rarely treated in a single volume, this textbook includes several beautiful, but almost forgotten, classical theorems of Descartes, Erdős, Fejér, Stieltjes, and Turán. The exposition style of Topology, Calculus and Approximation follows the Hungarian mathematical tradition of Paul Erdős and others. In the first part, the classical results of Alexandroff, Cantor, Hausdorff, Helly, Peano, Radon, Tietze and Urysohn illustrate the theories of metric, topological and normed spaces. Following this, the general framework of normed spaces and Carathéodory's definition of the derivative are shown to simplify the statement and proof of various theorems in calculus and ordinary differential equations. The third and final part is devoted to interpolation, orthogonal polynomials, numerical integration, asymptotic expansions and the numerical solution of algebraic and differential equations. Students of both pure an...

Photonic integration and components development for a Ku-band phased array antenna system

NARCIS (Netherlands)

Marpaung, D.A.I.; Zhuang, L.; Burla, M.; Roeloffzen, C.G.H.; Noharet, Bertrand; Wang, Qin; Beeker, W.P.; Beeker, Willem; Leinse, Arne; Heideman, Rene

2011-01-01

In this paper the development of a phased array antenna system using a photonic beamformer is reported. The paper emphasizes on the photonic integration between two main components of the beamformer, namely the photonic beamformer chip and the electroabsorption modulator array. System level

Study of the hard-disk system at high densities: the fluid-hexatic phase transition.

Science.gov (United States)

Mier-Y-Terán, Luis; Machorro-Martínez, Brian Ignacio; Chapela, Gustavo A; Del Río, Fernando

2018-06-21

Integral equations of uniform fluids have been considered unable to predict any characteristic feature of the fluid-solid phase transition, including the shoulder that arises in the second peak of the fluid-phase radial distribution function, RDF, of hard-core systems obtained by computer simulations, at fluid densities very close to the structural two-step phase transition. This reasoning is based on the results of traditional integral approximations, like Percus-Yevick, PY, which does not show such a shoulder in hard-core systems, neither in two nor three dimensions. In this work, we present results of three Ansätze, based on the PY theory, that were proposed to remedy the lack of PY analytical solutions in two dimensions. This comparative study shows that one of those Ansätze does develop a shoulder in the second peak of the RDF at densities very close to the phase transition, qualitatively describing this feature. Since the shoulder grows into a peak at still higher densities, this integral equation approach predicts the appearance of an orientational order characteristic of the hexatic phase in a continuous fluid-hexatic phase transition.

Orbits in a Stäckel approximation.

Science.gov (United States)

de Bruyne, V.; Leeuwin, F.; Dejonghe, H.

One family of potentials frequently used for dynamical models for galaxies are the Stackel potentials (e.g. de Zeeuw et al., 1986, MNRAS 221, 1001, Dejonghe et al., 1996, A&A 306, 363) because of their unique analytical tractability. An axisymmetric model is determined by a potential psi(R,z) and a distribution function F(E,Lz,I3), generally depending on 3 integrals of motion. It has indeed been known for a long time that the integration of orbits in many realistic potentials reveals the presence of an effective third integral I3. Unfortunately, no general analytic expression exists for such an integral, and this has put a limitation on designing anisotropic axisymmetric models. However, I3 can be computed analytically if a Stackel potential is used. This could be used as a local analytic approximation for the third integral in general potentials. One long-standing concern though, is that SPs form only a very small subspace in the family of all potentials, and may not capture the essential of the dynamics for a general potential. One way to address this issue is to compare orbits in both potentials. We therefore fit a Stackel potential (like in Mathieu et al., A&A 314, 25), for different radial ranges, to a spheroidal (MN-)potential (Miyamoto-Nagai, 1975, PASJ 27, 533), and compare orbits for an appropriate sampling of integral space. As a result, we find that the orbit shapes are very similar (as exhibited on surfaces of section, or by the orbital densities). The Stackel I3 is found to be a good approximation to a third integral of the MN-potential. The variation of I3 along an orbit in the MN-potential is of the same order as the difference between the two potentials.

Vortex spin-torque oscillator stabilized by phase locked loop using integrated circuits

Directory of Open Access Journals (Sweden)

Martin Kreissig

2017-05-01

Full Text Available Spin-torque nano-oscillators (STO are candidates for the next technological implementation of spintronic devices in commercial electronic systems. For use in microwave applications, improving the noise figures by efficient control of their phase dynamics is a mandatory requirement. In order to achieve this, we developed a compact phase locked loop (PLL based on custom integrated circuits (ICs and demonstrate that it represents an efficient way to reduce the phase noise level of a vortex based STO. The advantage of our approach to phase stabilize STOs is that our compact system is highly reconfigurable e.g. in terms of the frequency divider ratio N, RF gain and loop gain. This makes it robust against device to device variations and at the same time compatible with a large range of STOs. Moreover, by taking advantage of the natural highly non-isochronous nature of the STO, the STO frequency can be easily controlled by e.g. changing the divider ratio N.

Continuum random-phase approximation study of the incoherent μ--e- conversion rate and its spurious 1- admixture

International Nuclear Information System (INIS)

Papakonstantinou, P.; Wambach, J.; Kosmas, T.S.; Faessler, A.

2006-01-01

The incoherent transition strength of the exotic μ - -e - conversion in the 208 Pb nucleus is investigated by utilizing the continuum random-phase-approximation method, appropriate for the evaluation of the rate that goes to the continuum of the nuclear spectrum. We find that the contribution of resonances lying high in the continuum is not negligible. Special attention is paid to the detailed study of the pronounced 1 - contribution that according to previous calculations, dominates the overall incoherent rate in about all the nuclear targets. The spurious center-of-mass admixture to the partial rate originating from the 1 - excitations is explored, and its elimination is performed by correcting properly the dipole operators. The results found this way show that the greatest portion of the total 1 - contribution to the incoherent rate is spurious

Integrated thermal treatment system study. Phase 2. Addendum system A8

International Nuclear Information System (INIS)

Biagi, C.; Teheranian, B.; Quapp, W.J.; Schwinkendorf, W.E.

1996-05-01

This is an addendum to the Integrated Treatment System Study - Phase 2 Results report. This addendum describes the technology and the operation of System A-8, Rotary Kiln, Air Combustion Gas, Dry-Wet APC, and Grout Stabilization. A process flow diagram, functional allocation diagrams, and plan views and perspective views for this system are attached. Detailed cost information for this subsystem is reported in Appendix A of this addendum

Computational integration of the phases and procedures of calibration processes for radioprotection

International Nuclear Information System (INIS)

Santos, Gleice R. dos; Thiago, Bibiana dos S.; Rocha, Felicia D.G.; Santos, Gelson P. dos; Potiens, Maria da Penha A.; Vivolo, Vitor

2011-01-01

This work proceed the computational integration of the processes phases by using only a single computational software, from the entrance of the instrument at the Instrument Calibration Laboratory (LCI-IPEN) to the conclusion of calibration procedures. So, the initial information such as trade mark, model, manufacturer, owner, and the calibration records are digitized once until the calibration certificate emission

Phase 2 of the International Piping Integrity Research Group programme

International Nuclear Information System (INIS)

Darlaston, B.J.

1994-01-01

The results of phase 1 of the International Piping Integrity Research Group (IPIRG-1) programme have been widely reported. The significance of the results is reviewed briefly, in order to put the phase 2 programme into perspective. The success of phase 1 led the participants to consider further development and validation of pipe and pipe component fracture analysis technology as part of another international group programme (IPIRG-2). The benefits of combined funding and of the technical exchanges and interactions are considered to be of significant advantage and value. The phase 2 programme has been designed with the overall objective of developing and experimentally validating methods of predicting the fracture behaviour of nuclear reactor safety-related piping, to both normal operating and accident loads. The programme will add to the engineering estimation analysis methods that have been developed for straight pipes. The pipe system tests will expand the database to include seismic loadings and flaws in fittings, such as bends, elbows and tees, as well as ''short'' cracks. The results will be used to validate further the analytical methods, expand the capability to make fittings and extend the quasi-static results for the USNRC's new programme on short cracks in piping and piping welds. The IPIRG-2 programme is described to provide a clear understanding of the content, strategy, potential benefits and likely significance of the work. ((orig.))

Geometrical-optics approximation of forward scattering by coated particles.

Science.gov (United States)

Xu, Feng; Cai, Xiaoshu; Ren, Kuanfang

2004-03-20

By means of geometrical optics we present an approximation algorithm with which to accelerate the computation of scattering intensity distribution within a forward angular range (0 degrees-60 degrees) for coated particles illuminated by a collimated incident beam. Phases of emerging rays are exactly calculated to improve the approximation precision. This method proves effective for transparent and tiny absorbent particles with size parameters larger than 75 but fails to give good approximation results at scattering angles at which refractive rays are absent. When the absorption coefficient of a particle is greater than 0.01, the geometrical optics approximation is effective only for forward small angles, typically less than 10 degrees or so.

Uniform semiclassical approximation for absorptive scattering systems

International Nuclear Information System (INIS)

Hussein, M.S.; Pato, M.P.

1987-07-01

The uniform semiclassical approximation of the elastic scattering amplitude is generalized to absorptive systems. An integral equation is derived which connects the absorption modified amplitude to the absorption free one. Division of the amplitude into a diffractive and refractive components is then made possible. (Author) [pt

Integrated Assessment Plan Template and Operational Demonstration for SPIDERS Phase 2: Fort Carson

Energy Technology Data Exchange (ETDEWEB)

Barr, Jonathan L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tuffner, Francis K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hadley, Mark D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kreyling, Sean J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Schneider, Kevin P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2013-09-01

This document contains the Integrated Assessment Plan (IAP) for the Phase 2 Operational Demonstration (OD) of the Smart Power Infrastructure Demonstration for Energy Reliability (SPIDERS) Joint Capability Technology Demonstration (JCTD) project. SPIDERS will be conducted over a three year period with Phase 2 being conducted at Fort Carson, Colorado. This document includes the Operational Demonstration Execution Plan (ODEP) and the Operational Assessment Execution Plan (OAEP), as approved by the Operational Manager (OM) and the Integrated Management Team (IMT). The ODEP describes the process by which the OD is conducted and the OAEP describes the process by which the data collected from the OD is processed. The execution of the OD, in accordance with the ODEP and the subsequent execution of the OAEP, will generate the necessary data for the Quick Look Report (QLR) and the Utility Assessment Report (UAR). These reports will assess the ability of the SPIDERS JCTD to meet the four critical requirements listed in the Implementation Directive (ID).

Externally Phase-Locked Flux Flow Oscillator for Submm Integrated Receivers; Achievements and Limitations

DEFF Research Database (Denmark)

Koshelets, V. P.; Shitov, S. V.; Dmitriev, P. N.

2003-01-01

A Josephson Flux Flow Oscillator (FFO) is the most developed superconducting local oscillator for integration with an SIS mixer in a single-chip submm-wave receiver. Recently, using a new FFO design, a free-running linewidth less than or equal to10 MHz has been measured in the frequency range up...... to 712 GHz, limited only by the gap frequency of Nb. This enabled us to phase lock the FFO in the frequency range 500-712 GHz where continuous frequency tuning is possible; resulting in an absolute FFO phase noise as low as -80 dBc at 707 GHz. Comprehensive measurements of the FFO radiation linewidth...... have been performed using an integrated SIS harmonic mixer. The influence of FFO parameters on radiation linewidth, particularly the effect of the differential resistances associated both with the bias current and the applied magnetic field has been studied in order to further optimize the FFO design...

Approximate Model Checking of PCTL Involving Unbounded Path Properties

Science.gov (United States)

Basu, Samik; Ghosh, Arka P.; He, Ru

We study the problem of applying statistical methods for approximate model checking of probabilistic systems against properties encoded as PCTL formulas. Such approximate methods have been proposed primarily to deal with state-space explosion that makes the exact model checking by numerical methods practically infeasible for large systems. However, the existing statistical methods either consider a restricted subset of PCTL, specifically, the subset that can only express bounded until properties; or rely on user-specified finite bound on the sample path length. We propose a new method that does not have such restrictions and can be effectively used to reason about unbounded until properties. We approximate probabilistic characteristics of an unbounded until property by that of a bounded until property for a suitably chosen value of the bound. In essence, our method is a two-phase process: (a) the first phase is concerned with identifying the bound k 0; (b) the second phase computes the probability of satisfying the k 0-bounded until property as an estimate for the probability of satisfying the corresponding unbounded until property. In both phases, it is sufficient to verify bounded until properties which can be effectively done using existing statistical techniques. We prove the correctness of our technique and present its prototype implementations. We empirically show the practical applicability of our method by considering different case studies including a simple infinite-state model, and large finite-state models such as IPv4 zeroconf protocol and dining philosopher protocol modeled as Discrete Time Markov chains.

Complex Nonlinearity Chaos, Phase Transitions, Topology Change and Path Integrals

CERN Document Server

Ivancevic, Vladimir G

2008-01-01

Complex Nonlinearity: Chaos, Phase Transitions, Topology Change and Path Integrals is a book about prediction & control of general nonlinear and chaotic dynamics of high-dimensional complex systems of various physical and non-physical nature and their underpinning geometro-topological change. The book starts with a textbook-like expose on nonlinear dynamics, attractors and chaos, both temporal and spatio-temporal, including modern techniques of chaos–control. Chapter 2 turns to the edge of chaos, in the form of phase transitions (equilibrium and non-equilibrium, oscillatory, fractal and noise-induced), as well as the related field of synergetics. While the natural stage for linear dynamics comprises of flat, Euclidean geometry (with the corresponding calculation tools from linear algebra and analysis), the natural stage for nonlinear dynamics is curved, Riemannian geometry (with the corresponding tools from nonlinear, tensor algebra and analysis). The extreme nonlinearity – chaos – corresponds to th...

Description of excited states in the nucleus using the Quasiparticle Random-Phase Approximation and the Gogny interaction

International Nuclear Information System (INIS)

Lechaftois, Francois

2016-01-01

This thesis presents three aspects centered around the QRPA (Quasiparticle Random Phase Approximation). The first consists in the use of an axial code to confront computed data with experimental results and to feed a microscopic reaction code. This step is a chance to analyse low-energy spectroscopy (few tens of MeV) of some nuclei, and more precisely (but not exclusively) the tin isotopic chain (Z=50). The second one relies on the improvement of the formalism to calculate multipolar electromagnetic transition operators, and a method to consolidate the computation of these operators, allowing to ease the programming by unifying the code for different multipolarities. Finally, in order to overcome the axial symmetry constraint, a new triaxial code has been developed. Its assets and development are presented, followed by the first batch of results. (author) [fr

Automated microfluidic devices integrating solid-phase extraction, fluorescent labeling, and microchip electrophoresis for preterm birth biomarker analysis.

Science.gov (United States)

Sahore, Vishal; Sonker, Mukul; Nielsen, Anna V; Knob, Radim; Kumar, Suresh; Woolley, Adam T

2018-01-01

We have developed multichannel integrated microfluidic devices for automated preconcentration, labeling, purification, and separation of preterm birth (PTB) biomarkers. We fabricated multilayer poly(dimethylsiloxane)-cyclic olefin copolymer (PDMS-COC) devices that perform solid-phase extraction (SPE) and microchip electrophoresis (μCE) for automated PTB biomarker analysis. The PDMS control layer had a peristaltic pump and pneumatic valves for flow control, while the PDMS fluidic layer had five input reservoirs connected to microchannels and a μCE system. The COC layers had a reversed-phase octyl methacrylate porous polymer monolith for SPE and fluorescent labeling of PTB biomarkers. We determined μCE conditions for two PTB biomarkers, ferritin (Fer) and corticotropin-releasing factor (CRF). We used these integrated microfluidic devices to preconcentrate and purify off-chip-labeled Fer and CRF in an automated fashion. Finally, we performed a fully automated on-chip analysis of unlabeled PTB biomarkers, involving SPE, labeling, and μCE separation with 1 h total analysis time. These integrated systems have strong potential to be combined with upstream immunoaffinity extraction, offering a compact sample-to-answer biomarker analysis platform. Graphical abstract Pressure-actuated integrated microfluidic devices have been developed for automated solid-phase extraction, fluorescent labeling, and microchip electrophoresis of preterm birth biomarkers.

Phase Preference by Active, Acetate-Utilizing Bacteria at the Rifle, CO Integrated Field Research Challenge Site

International Nuclear Information System (INIS)

Kerkhoff, Lee; Williams, Kenneth H.; Long, Philip E.; McGuinness, L.

2011-01-01

Uranium contaminated groundwaters are a legacy concern for the U.S. Department of Energy. Previous experiments at the Rifle, Colorado Integrated Field Challenge (IFC) site have demonstrated that field-scale addition of acetate to groundwater reduces the ambient soluable uranium concentration, sequestering the radionuclide as uraninite. However, questions remain regarding which microorganism(s) are consuming this acetate and if active groundwater microorganisms are different from active particle-associated bacteria. In this report, 13-C acetate was used to assess the active microbes that synthesize DNA on 3 size fractions (coarse sand, fines (8-approximately 150 micron), groundwater (0.2-8 micron)) over a 24 -day time frame. Results indicated a stronger signal from 13-C acetate associated with the 'fines' fraction compared with smaller amounts of 13-C uptake on the sand fraction and groundwater samples during the SIP incubations. TRFLP analysis of this 13-C-labeled DNA, indicated 31+ 9 OTU's with 6 peaks dominating the active profiles (166, 187, 210, 212, and 277 bp peaks using MnlI). Cloning/sequencing of the amplification products indicated a Geobacter-like group (187, 210, 212 bp) primarily synthesized DNA from acetate in the groundwater phase, an alpha Proteobacterium (166 bp) primarily grew on the fines/sands, and an Acinetobacter sp. (277 bp) utilized much of the 13C acetate in both groundwater and particle-associated phases. These findings will help to delineate the acetate utilization patterns of bacteria during field-scale acetate addition and can lead to improved methods for stimulating distinct microbial populations in situ.

Optical approximation in the theory of geometric impedance

International Nuclear Information System (INIS)

Stupakov, G.; Bane, K.L.F.; Zagorodnov, I.

2007-02-01

In this paper we introduce an optical approximation into the theory of impedance calculation, one valid in the limit of high frequencies. This approximation neglects diffraction effects in the radiation process, and is conceptually equivalent to the approximation of geometric optics in electromagnetic theory. Using this approximation, we derive equations for the longitudinal impedance for arbitrary offsets, with respect to a reference orbit, of source and test particles. With the help of the Panofsky-Wenzel theorem we also obtain expressions for the transverse impedance (also for arbitrary offsets). We further simplify these expressions for the case of the small offsets that are typical for practical applications. Our final expressions for the impedance, in the general case, involve two dimensional integrals over various cross-sections of the transition. We further demonstrate, for several known axisymmetric examples, how our method is applied to the calculation of impedances. Finally, we discuss the accuracy of the optical approximation and its relation to the diffraction regime in the theory of impedance. (orig.)

Finite rank separable approximation for Skyrme interactions: spin-isospin excitations

International Nuclear Information System (INIS)

Severyukhin, A.P.; Voronov, V.V.; Borzov, I.N.; Nguyen Van Giai

2012-01-01

A finite rank separable approximation for the quasiparticle random phase approximation with the Skyrme interactions is applied for the case of charge-exchange nuclear modes. The coupling between one- and two-phonon terms in the wave functions is taken into account. It has been shown that the approximation reproduces reasonably well the full charge-exchange RPA results for the spin-dipole resonances in 132 Sn. As an illustration of the method, the phonon-phonon coupling effect on the β-decay half-life of 78 Ni is considered

Monte Carlo simulation and theory in Gaussian approximation of a phase transition in the nuclear spin system of a solid

Energy Technology Data Exchange (ETDEWEB)

Merkulov, I A; Papava, Y I; Ponomarenko, V V [Leningradskij Gosudarstvennyj Univ., Leningrad (Russian Federation); Vasiliev, S I [Carleton Univ., Ottawa, ON (Canada). Dept. of Physics

1988-02-01

A phase transition of the nuclear spin system of a solid with dipolar and indirect scalar interactions is considered. Monte Carlo simulations of the spin-system isothermic states and of the adiabatic demagnetization process have been made. The structures and energies of the ground states and the values of the critical temperatures, T[sub C], and minimal polarizations, [rho][sub C], at which adiabatic demagnetization leads to spontaneous spin ordering, calculated for the GaAs and CaF[sub 2] nuclear spin systems, are presented. The results of numerical simulations are compared with the experimental data for CaF[sub 2]. The Weiss-field model is extended to the case of adiabatic demagnetization. The fluctuations of the local field are taken into account in the Gaussian approximation. It is shown that the proposed approach allows one to obtain asymptotically correct results both for T >> T[sub C] and T << T[sub C]. The results of the calculations in the Gaussian approximation are compared with the numerical simulations. (10 refs., 9 figs., tab.).

Fast and accurate implementation of Fourier spectral approximations of nonlocal diffusion operators and its applications

International Nuclear Information System (INIS)

Du, Qiang; Yang, Jiang

2017-01-01

This work is concerned with the Fourier spectral approximation of various integral differential equations associated with some linear nonlocal diffusion and peridynamic operators under periodic boundary conditions. For radially symmetric kernels, the nonlocal operators under consideration are diagonalizable in the Fourier space so that the main computational challenge is on the accurate and fast evaluation of their eigenvalues or Fourier symbols consisting of possibly singular and highly oscillatory integrals. For a large class of fractional power-like kernels, we propose a new approach based on reformulating the Fourier symbols both as coefficients of a series expansion and solutions of some simple ODE models. We then propose a hybrid algorithm that utilizes both truncated series expansions and high order Runge–Kutta ODE solvers to provide fast evaluation of Fourier symbols in both one and higher dimensional spaces. It is shown that this hybrid algorithm is robust, efficient and accurate. As applications, we combine this hybrid spectral discretization in the spatial variables and the fourth-order exponential time differencing Runge–Kutta for temporal discretization to offer high order approximations of some nonlocal gradient dynamics including nonlocal Allen–Cahn equations, nonlocal Cahn–Hilliard equations, and nonlocal phase-field crystal models. Numerical results show the accuracy and effectiveness of the fully discrete scheme and illustrate some interesting phenomena associated with the nonlocal models.

Urban Integrated Industrial Cogeneration Systems Analysis. Phase II final report

Energy Technology Data Exchange (ETDEWEB)

1984-01-01

Through the Urban Integrated Industrial Cogeneration Systems Analysis (UIICSA), the City of Chicago embarked upon an ambitious effort to identify the measure the overall industrial cogeneration market in the city and to evaluate in detail the most promising market opportunities. This report discusses the background of the work completed during Phase II of the UIICSA and presents the results of economic feasibility studies conducted for three potential cogeneration sites in Chicago. Phase II focused on the feasibility of cogeneration at the three most promising sites: the Stockyards and Calumet industrial areas, and the Ford City commercial/industrial complex. Each feasibility case study considered the energy load requirements of the existing facilities at the site and the potential for attracting and serving new growth in the area. Alternative fuels and technologies, and ownership and financing options were also incorporated into the case studies. Finally, site specific considerations such as development incentives, zoning and building code restrictions and environmental requirements were investigated.

Integral model of linear momentum for one-dimensional two-phase flows

International Nuclear Information System (INIS)

Kuznetsov, Yu.A.; Sabaev, E.F.

1976-01-01

''An integrated momentum model'' obtained by Meyer-Rose and widely applicable in calculations of dynamics of the thermal power systems is generalized for a case of flow of a vapour-liquid mixture with phase creep and pressure variation in the heated channel. Pressure distribution along the channel length is shown for a number of cases to be negligible. The obtained equations are found as well applicable in case pressure greatly though slowly varies in the system

Accuracy of the adiabatic-impulse approximation for closed and open quantum systems

Science.gov (United States)

Tomka, Michael; Campos Venuti, Lorenzo; Zanardi, Paolo

2018-03-01

We study the adiabatic-impulse approximation (AIA) as a tool to approximate the time evolution of quantum states when driven through a region of small gap. Such small-gap regions are a common situation in adiabatic quantum computing and having reliable approximations is important in this context. The AIA originates from the Kibble-Zurek theory applied to continuous quantum phase transitions. The Kibble-Zurek mechanism was developed to predict the power-law scaling of the defect density across a continuous quantum phase transition. Instead, here we quantify the accuracy of the AIA via the trace norm distance with respect to the exact evolved state. As expected, we find that for short times or fast protocols, the AIA outperforms the simple adiabatic approximation. However, for large times or slow protocols, the situation is actually reversed and the AIA provides a worse approximation. Nevertheless, we found a variation of the AIA that can perform better than the adiabatic one. This counterintuitive modification consists in crossing the region of small gap twice. Our findings are illustrated by several examples of driven closed and open quantum systems.

Development and Integration of a Data Acquisition System for SST-1 Phase-1 Plasma Diagnostics

International Nuclear Information System (INIS)

Srivastava, Amit K; Sharma, Manika; Mansuri, Imran; Sharma, Atish; Raval, Tushar; Pradhan, Subrata

2012-01-01

Long pulse (of the order of 1000 s or more) SST-1 tokamak experiments demand a data acquisition system that is capable of acquiring data from various diagnostics channels without losing useful data (and hence physics information) while avoiding unnecessary generation of a large volume data. SST-1 Phase-1 tokamak operation has been envisaged with data acquisition of several essential diagnostics channels. These channels demand data acquisition at a sampling rate ranging from 1 kilo samples per second (KSPS) to 1 mega samples per second (MSPS). Considering the technical characteristics and requirements of the diagnostics, a data acquisition system based on PXI and CAMAC has been developed for SST-1 plasma diagnostics. Both these data acquisition systems are scalable. Present data acquisition needs involving slow plasma diagnostics are catered by the PXI based data acquisition system. On the other hand, CAMAC data acquisition hardware meets all requirements of the SST-1 Phase-1 fast plasma diagnostics channels. A graphical user interface for both data acquisition systems (PXI and CAMAC) has been developed using LabVIEW application development software. The collected data on the local hard disk are directly streaming to the central server through a dedicated network for post-shot data analysis. This paper describes the development and integration of the data acquisition system for SST-1 Phase-1 plasma diagnostics. The integrated testing of the developed data acquisition system has been performed using SST-1 central control and diagnostics signal conditioning units. In the absence of plasma shots, the integrated testing of the data acquisition system for the initial diagnostics of SST-1 Phase-1 operation has been performed with simulated physical signals. The primary engineering objective of this integrated testing is to validate the performance of the developed data acquisition system under simulated conditions close to that of actual tokamak operation. The data

A test of the adhesion approximation for gravitational clustering

Science.gov (United States)

Melott, Adrian L.; Shandarin, Sergei; Weinberg, David H.

1993-01-01

We quantitatively compare a particle implementation of the adhesion approximation to fully non-linear, numerical 'N-body' simulations. Our primary tool, cross-correlation of N-body simulations with the adhesion approximation, indicates good agreement, better than that found by the same test performed with the Zel-dovich approximation (hereafter ZA). However, the cross-correlation is not as good as that of the truncated Zel-dovich approximation (TZA), obtained by applying the Zel'dovich approximation after smoothing the initial density field with a Gaussian filter. We confirm that the adhesion approximation produces an excessively filamentary distribution. Relative to the N-body results, we also find that: (a) the power spectrum obtained from the adhesion approximation is more accurate than that from ZA or TZA, (b) the error in the phase angle of Fourier components is worse than that from TZA, and (c) the mass distribution function is more accurate than that from ZA or TZA. It appears that adhesion performs well statistically, but that TZA is more accurate dynamically, in the sense of moving mass to the right place.

Phase 2 testing of ENDF/B-VI shielding data

International Nuclear Information System (INIS)

Ingersoll, D.T.; Wright, R.Q.; Slater, C.O.

1992-01-01

Version 6 of the US Evaluated Nuclear Data File (ENDF/B-VI) was released in early 1990 and is currently undergoing phase 2 testing. In Phase 2 testing, the evaluated data are approximately processed and used in an integral manner to predict the solution of previously specified benchmark experiments. Results are presented for the initial testing of several light elements and structural materials which are important for shielding applications. These initial tests indicate that the relatively subtle changes made to the iron data and the major modernization of the boron-11 data in Version 6 both represent significant and positive advancements in the quality of the evaluated data files

Sinc-Approximations of Fractional Operators: A Computing Approach

Directory of Open Access Journals (Sweden)

Gerd Baumann

2015-06-01

Full Text Available We discuss a new approach to represent fractional operators by Sinc approximation using convolution integrals. A spin off of the convolution representation is an effective inverse Laplace transform. Several examples demonstrate the application of the method to different practical problems.

Common mode frequency instability in internally phase-locked terahertz quantum cascade lasers.

Science.gov (United States)

Wanke, M C; Grine, A D; Fuller, C T; Nordquist, C D; Cich, M J; Reno, J L; Lee, Mark

2011-11-21

Feedback from a diode mixer integrated into a 2.8 THz quantum cascade laser (QCL) was used to phase lock the difference frequencies (DFs) among the Fabry-Perot (F-P) longitudinal modes of a QCL. Approximately 40% of the DF power was phase locked, consistent with feedback loop bandwidth of 10 kHz and phase noise bandwidth ~0.5 MHz. While the locked DF signal has ≤ 1 Hz linewidth and negligible drift over ~30 min, mixing measurements between two QCLs and between a QCL and molecular gas laser show that the common mode frequency stability is no better than a free-running QCL. © 2011 Optical Society of America

Approximate Bayesian evaluations of measurement uncertainty

Science.gov (United States)

Possolo, Antonio; Bodnar, Olha

2018-04-01

The Guide to the Expression of Uncertainty in Measurement (GUM) includes formulas that produce an estimate of a scalar output quantity that is a function of several input quantities, and an approximate evaluation of the associated standard uncertainty. This contribution presents approximate, Bayesian counterparts of those formulas for the case where the output quantity is a parameter of the joint probability distribution of the input quantities, also taking into account any information about the value of the output quantity available prior to measurement expressed in the form of a probability distribution on the set of possible values for the measurand. The approximate Bayesian estimates and uncertainty evaluations that we present have a long history and illustrious pedigree, and provide sufficiently accurate approximations in many applications, yet are very easy to implement in practice. Differently from exact Bayesian estimates, which involve either (analytical or numerical) integrations, or Markov Chain Monte Carlo sampling, the approximations that we describe involve only numerical optimization and simple algebra. Therefore, they make Bayesian methods widely accessible to metrologists. We illustrate the application of the proposed techniques in several instances of measurement: isotopic ratio of silver in a commercial silver nitrate; odds of cryptosporidiosis in AIDS patients; height of a manometer column; mass fraction of chromium in a reference material; and potential-difference in a Zener voltage standard.

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

Science.gov (United States)

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

2016-12-01

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

Electric dipole strength and dipole polarizability in 48Ca within a fully self-consistent second random–phase approximation

Directory of Open Access Journals (Sweden)

D. Gambacurta

2018-02-01

Full Text Available The second random–phase–approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random–phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.

Hopping system control with an approximated dynamics model and upper-body motion

Energy Technology Data Exchange (ETDEWEB)

Lee, Hyang Jun; Oh, Jun Ho [KAIST, Daejeon (Korea, Republic of)

2015-11-15

A hopping system is highly non-linear due to the nature of its dynamics, which has alternating phases in a cycle, flight and stance phases and related transitions. Every control method that stabilizes the hopping system satisfies the Poincaré stability condition. At the Poincaré section, a hopping system cycle is considered as discrete sectional data set. By controlling the sectional data in a discrete control form, we can generate a stable hopping cycle. We utilize phase-mapping matrices to build a Poincaré return map by approximating the dynamics of the hopping system with SLIP model. We can generate various Poincaré stable gait patterns with the approximated discrete control form which uses upper-body motions as inputs.

Non-steady experimental investigation on an integrated thermal management system for power battery with phase change materials

International Nuclear Information System (INIS)

Shi, Shang; Xie, Yongqi; Li, Ming; Yuan, Yanping; Yu, Jianzu; Wu, Hongwei; Liu, Bin; Liu, Nan

2017-01-01

Highlights: • An integrated thermal management system for power battery is designed. • The battery temperature rise is a non-steady process for charge and discharge. • A mathematical model can accurately represent temperature rise characteristics. • The heat generation power of the battery is calculated theoretically. • The excess temperatures and thermal resistances affect the system performance. - Abstract: A large amount of heat inside the power battery must be dissipated to maintain the temperature in a safe range for the hybrid power train during high-current charging/discharging processes. In this article, a combined experimental and theoretical study has been conducted to investigate a newly designed thermal management system integrating phase change material with air cooling. An unsteady mathematical model was developed for the battery with the integrated thermal management system. Meanwhile, the heat generation power, thermal resistance, and time constant were calculated. The effect of several control parameters, such as thermal resistance, initial temperature, melting temperature and ambient temperature, on the performance of the integrated thermal management system were analyzed. The results indicated that: (1) the calculated temperature rise of the battery was in good agreement with the experimental data. The appropriate operation temperature of the battery was attained by the action of the phase change storage energy unit which is composed of copper foam and n-Eicosane, (2) the remarkable decrease of the battery temperature can be achieved by reducing the convection thermal resistance or increasing the conductivity of the phase change storage energy unit, where the latter could be the better option due to no additional energy consumption. When convective resistance and thermal resistance between the battery surface and the phase change storage energy unit are less than 2.03 K/W and 1.85 K/W, respectively, the battery will not exceed the

Fast conjugate phase image reconstruction based on a Chebyshev approximation to correct for B0 field inhomogeneity and concomitant gradients.

Science.gov (United States)

Chen, Weitian; Sica, Christopher T; Meyer, Craig H

2008-11-01

Off-resonance effects can cause image blurring in spiral scanning and various forms of image degradation in other MRI methods. Off-resonance effects can be caused by both B0 inhomogeneity and concomitant gradient fields. Previously developed off-resonance correction methods focus on the correction of a single source of off-resonance. This work introduces a computationally efficient method of correcting for B0 inhomogeneity and concomitant gradients simultaneously. The method is a fast alternative to conjugate phase reconstruction, with the off-resonance phase term approximated by Chebyshev polynomials. The proposed algorithm is well suited for semiautomatic off-resonance correction, which works well even with an inaccurate or low-resolution field map. The proposed algorithm is demonstrated using phantom and in vivo data sets acquired by spiral scanning. Semiautomatic off-resonance correction alone is shown to provide a moderate amount of correction for concomitant gradient field effects, in addition to B0 imhomogeneity effects. However, better correction is provided by the proposed combined method. The best results were produced using the semiautomatic version of the proposed combined method.

Implementation of Synchronous Micromotor in Developing Integrated Microfluidic Systems

Directory of Open Access Journals (Sweden)

Ala'aldeen Al-Halhouli

2014-07-01

Full Text Available This paper introduces the synchronous micromotor concept and presents new investigations on its application as an integrated driving mechanism in microfluidic systems. A spiral channel viscous micropump and a microstirrer are considered and tested as examples to verify the concept. The fabrication technology of such integrated systems is based on UV depth lithography, electroplating and soft lithography. The synchronous micromotor consists of a stator including double layer coils, and a rotor disk containing alternate permanent magnets. The coils are distributed evenly around the stator and arranged in three phases. The phases are excited by sinusoidal currents with a corresponding phase shift resulting in a rotating magnetic field. Regarding the spiral channel viscous micropump, a spiral disk was fixed onto the rotor disk and run at different rotational speeds. Tests showed very promising results, with a flow rate up to 1023 µL·min−1 at a motor rotational speed of 4500 rpm. Furthermore, for the application of a microstirred-tank bioreactor, the rotor disk design was modified to work as a stirrer. The performance of the developed microbioreactor was tested over a time period of approximately 10 h under constant stirring. Tests demonstrated the successful cultivation of S. cerevisiae through the integration of the microstirrer in a microbioreactor system. These systems prove that synchronous micromotors are well suited to serve as integrated driving mechanisms of active microfluidic components.

Application of the random phase approximation to complex problems in materials science

International Nuclear Information System (INIS)

Schimka, L.

2012-01-01

This thesis is devoted to the assessment and application of the random phase approximation (RPA) in the adiabatic-connection fluctuation-dissipation (ACFD) framework in solid state physics. The first part presents a review of density functional theory (DFT) and the ACFD theorem in the RPA. This includes an introduction to the many-body problem as well as a description of the implementation of the RPA in the Vienna Ab-initio Simulation Package (VASP). In the results part, the quality of the RPA is assessed and its performance compared to three (beyond) DFT functionals. The experimental values are corrected for the effect of phonon zero-point vibrational energies which were calculated at the DFT level from ab-initio. We find that the RPA describes all bonding situations very accurately, making it a promising candidate for more complex problems in solid state physics. In light of these findings, we investigate the carbon-water interaction in two specific cases: the adsorption of water on benzene and the adsorption of water on a graphene layer. We compare our results to a different correlated method: diffusion Monte Carlo (DMC). We find very good agreement and thus believe that our values can serve as a benchmark for the development of other DFT functionals to treat water-carbon interfaces. The highlight of this thesis is the successful application of the RPA to the long-standing and (at DFT level) unsolved CO adsorption puzzle. We show results for CO adsorption on Cu, late 4d metals and Pt. RPA is at present the only ab-initio method that describes adsorption and surface energies accurately at the same time and predicts the correct adsorption site in every single case. (author) [de

Rule-based Information Integration

NARCIS (Netherlands)

de Keijzer, Ander; van Keulen, Maurice

2005-01-01

In this report, we show the process of information integration. We specifically discuss the language used for integration. We show that integration consists of two phases, the schema mapping phase and the data integration phase. We formally define transformation rules, conversion, evolution and

ESTABLISHED MODES AND STATIC CHARACTERISTICS OF THREE-PHASE ASYNCHRONOUS MOTOR POWERED WITH SINGLE PHASE NETWORK

Directory of Open Access Journals (Sweden)

V. S. Malyar

2016-01-01

Full Text Available A mathematical model is developed to study the operation of three-phase asynchronous motor with squirrel-cage rotor when the stator winding is powered from a single phase network. To create a rotating magnetic field one of the phases is fed through the capacitor. Due to the asymmetry of power feed not only transients, but the steady-state regimes are dynamic, so they are described by differential equations in any coordinate system. Their study cannot be carried out with sufficient adequacy on the basis of known equivalent circuits and require the use of dynamic parameters. In the mathematical model the state equations of the circuits of the stator and rotor are composed in the stationary three phase coordinate system. Calculation of the established mode is performed by solving the boundary problem that makes it possible to obtain the coordinate dependences over the period, without calculation of the transient process. In order to perform it, the original nonlinear differential equations are algebraized by approximating the variables with the use of cubic splines. The resulting nonlinear system of algebraic equations is a discrete analogue of the initial system of differential equations. It is solved by parameter continuation method. To calculate the static characteristics as a function of a certain variable, the system is analytically differentiated, and then numerically integrated over this variable. In the process of integration, Newton's refinement is performed at each step or at every few steps, making it possible to implement the integration in just a few steps using Euler's method. Jacobi matrices in both cases are the same. To account for the current displacement in the rods of the squirrel-cage rotor, each of them, along with the squirrel-cage rings, is divided in height into several elements. This results in several squirrel-cage rotor windings which are represented by three-phase windings with magnetic coupling between them.

Theory of third-harmonic generation using Bessel beams, and self-phase-matching

International Nuclear Information System (INIS)

Tewari, S.P.; Huang, H.; Boyd, R.W.

1996-01-01

Taking Bessel beams (J 0 beam) as a representation of a conical beam, and a slowly varying envelope approximation (SVEA) we obtain the results for the theory of third-harmonic generation from an atomic medium. We demonstrate how the phenomenon of self-phase-matching is contained in the transverse-phase-matching integral of the theory. A method to calculate the transverse-phase-matching integral containing four Bessel functions is described which avoids the computer calculations of the Bessel functions. In order to consolidate the SVEA result an alternate method is used to obtain the exact result for the third-harmonic generation. The conditions are identified in which the exact result goes over to the result of the SVEA. The theory for multiple Bessel beams is also discussed which has been shown to be the source of the wide width of the efficiency curve of the third-harmonic generation observed in experiments. copyright 1996 The American Physical Society

Approximate Coulomb effects in the three-body scattering problem

International Nuclear Information System (INIS)

Haftel, M.I.; Zankel, H.

1981-01-01

From the momentum space Faddeev equations we derive approximate expressions which describe the Coulomb-nuclear interference in the three-body elastic scattering, rearrangement, and breakup problems and apply the formalism to p-d elastic scattering. The approximations treat the Coulomb interference as mainly a two-body effect, but we allow for the charge distribution of the deuteron in the p-d calculations. Real and imaginary parts of the Coulomb correction to the elastic scattering phase shifts are described in terms of on-shell quantities only. In the case of pure Coulomb breakup we recover the distorted-wave Born approximation result. Comparing the derived approximation with the full Faddeev p-d elastic scattering calculation, which includes the Coulomb force, we obtain good qualitative agreement in S and P waves, but disagreement in repulsive higher partial waves. The on-shell approximation investigated is found to be superior to other current approximations. The calculated differential cross sections at 10 MeV raise the question of whether there is a significant Coulomb-nuclear interference at backward angles

Development of the relativistic impulse approximation

International Nuclear Information System (INIS)

Wallace, S.J.

1985-01-01

This talk contains three parts. Part I reviews the developments which led to the relativistic impulse approximation for proton-nucleus scattering. In Part II, problems with the impulse approximation in its original form - principally the low energy problem - are discussed and traced to pionic contributions. Use of pseudovector covariants in place of pseudoscalar ones in the NN amplitude provides more satisfactory low energy results, however, the difference between pseudovector and pseudoscalar results is ambiguous in the sense that it is not controlled by NN data. Only with further theoretical input can the ambiguity be removed. Part III of the talk presents a new development of the relativistic impulse approximation which is the result of work done in the past year and a half in collaboration with J.A. Tjon. A complete NN amplitude representation is developed and a complete set of Lorentz invariant amplitudes are calculated based on a one-meson exchange model and appropriate integral equations. A meson theoretical basis for the important pair contributions to proton-nucleus scattering is established by the new developments. 28 references

Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory.

Science.gov (United States)

Li, Zhendong; Liu, Wenjian

2010-08-14

The spin-adaptation of single-reference quantum chemical methods for excited states of open-shell systems has been nontrivial. The primary reason is that the configuration space, generated by a truncated rank of excitations from only one component of a reference multiplet, is spin-incomplete. Those "missing" configurations are of higher ranks and can, in principle, be recaptured by a particular class of excitation operators. However, the resulting formalisms are then quite involved and there are situations [e.g., time-dependent density functional theory (TD-DFT) under the adiabatic approximation] that prevent one from doing so. To solve this issue, we propose here a tensor-coupling scheme that invokes all the components of a reference multiplet (i.e., a tensor reference) rather than increases the excitation ranks. A minimal spin-adapted n-tuply excited configuration space can readily be constructed by tensor products between the n-tuple tensor excitation operators and the chosen tensor reference. Further combined with the tensor equation-of-motion formalism, very compact expressions for excitation energies can be obtained. As a first application of this general idea, a spin-adapted open-shell random phase approximation is first developed. The so-called "translation rule" is then adopted to formulate a spin-adapted, restricted open-shell Kohn-Sham (ROKS)-based TD-DFT (ROKS-TD-DFT). Here, a particular symmetry structure has to be imposed on the exchange-correlation kernel. While the standard ROKS-TD-DFT can access only excited states due to singlet-coupled single excitations, i.e., only some of the singly excited states of the same spin (S(i)) as the reference, the new scheme can capture all the excited states of spin S(i)-1, S(i), or S(i)+1 due to both singlet- and triplet-coupled single excitations. The actual implementation and computation are very much like the (spin-contaminated) unrestricted Kohn-Sham-based TD-DFT. It is also shown that spin-contaminated spin

Blind sensor calibration using approximate message passing

International Nuclear Information System (INIS)

Schülke, Christophe; Caltagirone, Francesco; Zdeborová, Lenka

2015-01-01

The ubiquity of approximately sparse data has led a variety of communities to take great interest in compressed sensing algorithms. Although these are very successful and well understood for linear measurements with additive noise, applying them to real data can be problematic if imperfect sensing devices introduce deviations from this ideal signal acquisition process, caused by sensor decalibration or failure. We propose a message passing algorithm called calibration approximate message passing (Cal-AMP) that can treat a variety of such sensor-induced imperfections. In addition to deriving the general form of the algorithm, we numerically investigate two particular settings. In the first, a fraction of the sensors is faulty, giving readings unrelated to the signal. In the second, sensors are decalibrated and each one introduces a different multiplicative gain to the measurements. Cal-AMP shares the scalability of approximate message passing, allowing us to treat large sized instances of these problems, and experimentally exhibits a phase transition between domains of success and failure. (paper)

Bayesian model comparison using Gauss approximation on multicomponent mass spectra from CH4 plasma

International Nuclear Information System (INIS)

Kang, H.D.; Dose, V.

2004-01-01

We performed Bayesian model comparison on mass spectra from CH4 rf process plasmas to detect radicals produced in the plasma. The key ingredient for its implementation is the high-dimensional evidence integral. We apply Gauss approximation to evaluate the evidence. The results were compared with those calculated by the thermodynamic integration method using Markov Chain Monte Carlo technique. In spite of very large difference in the computation time between two methods a very good agreement was obtained. Alternatively, a Monte Carlo integration method based on the approximated Gaussian posterior density is presented. Its applicability to the problem of mass spectrometry is discussed

Integrable high order UWB pulse photonic generator based on cross phase modulation in a SOA-MZI.

Science.gov (United States)

Moreno, Vanessa; Rius, Manuel; Mora, José; Muriel, Miguel A; Capmany, José

2013-09-23

We propose and experimentally demonstrate a potentially integrable optical scheme to generate high order UWB pulses. The technique is based on exploiting the cross phase modulation generated in an InGaAsP Mach-Zehnder interferometer containing integrated semiconductor optical amplifiers, and is also adaptable to different pulse modulation formats through an optical processing unit which allows to control of the amplitude, polarity and time delay of the generated taps.

Approximate radiative solutions of the Einstein equations

International Nuclear Information System (INIS)

Kuusk, P.; Unt, V.

1976-01-01

In this paper the external field of a bounded source emitting gravitational radiation is considered. A successive approximation method is used to integrate the Einstein equations in Bondi's coordinates (Bondi et al, Proc. R. Soc.; A269:21 (1962)). A method of separation of angular variables is worked out and the approximate Einstein equations are reduced to key equations. The losses of mass, momentum, and angular momentum due to gravitational multipole radiation are found. It is demonstrated that in the case of proper treatment a real mass occurs instead of a mass aspect in a solution of the Einstein equations. In an appendix Bondi's new function is given in terms of sources. (author)

Bayesian leave-one-out cross-validation approximations for Gaussian latent variable models

DEFF Research Database (Denmark)

Vehtari, Aki; Mononen, Tommi; Tolvanen, Ville

2016-01-01

The future predictive performance of a Bayesian model can be estimated using Bayesian cross-validation. In this article, we consider Gaussian latent variable models where the integration over the latent values is approximated using the Laplace method or expectation propagation (EP). We study...... the properties of several Bayesian leave-one-out (LOO) cross-validation approximations that in most cases can be computed with a small additional cost after forming the posterior approximation given the full data. Our main objective is to assess the accuracy of the approximative LOO cross-validation estimators...

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

International Nuclear Information System (INIS)

Aoki, Shigeru; Fukano, Azusa

2010-01-01

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

Hierarchical low-rank approximation for high dimensional approximation

KAUST Repository

Nouy, Anthony

2016-01-07

Tensor methods are among the most prominent tools for the numerical solution of high-dimensional problems where functions of multiple variables have to be approximated. Such high-dimensional approximation problems naturally arise in stochastic analysis and uncertainty quantification. In many practical situations, the approximation of high-dimensional functions is made computationally tractable by using rank-structured approximations. In this talk, we present algorithms for the approximation in hierarchical tensor format using statistical methods. Sparse representations in a given tensor format are obtained with adaptive or convex relaxation methods, with a selection of parameters using crossvalidation methods.

Hierarchical low-rank approximation for high dimensional approximation

KAUST Repository

Nouy, Anthony

2016-01-01

Tensor methods are among the most prominent tools for the numerical solution of high-dimensional problems where functions of multiple variables have to be approximated. Such high-dimensional approximation problems naturally arise in stochastic analysis and uncertainty quantification. In many practical situations, the approximation of high-dimensional functions is made computationally tractable by using rank-structured approximations. In this talk, we present algorithms for the approximation in hierarchical tensor format using statistical methods. Sparse representations in a given tensor format are obtained with adaptive or convex relaxation methods, with a selection of parameters using crossvalidation methods.

The binary collision approximation: Background and introduction

International Nuclear Information System (INIS)

Robinson, M.T.

1992-08-01

The binary collision approximation (BCA) has long been used in computer simulations of the interactions of energetic atoms with solid targets, as well as being the basis of most analytical theory in this area. While mainly a high-energy approximation, the BCA retains qualitative significance at low energies and, with proper formulation, gives useful quantitative information as well. Moreover, computer simulations based on the BCA can achieve good statistics in many situations where those based on full classical dynamical models require the most advanced computer hardware or are even impracticable. The foundations of the BCA in classical scattering are reviewed, including methods of evaluating the scattering integrals, interaction potentials, and electron excitation effects. The explicit evaluation of time at significant points on particle trajectories is discussed, as are scheduling algorithms for ordering the collisions in a developing cascade. An approximate treatment of nearly simultaneous collisions is outlined and the searching algorithms used in MARLOWE are presented

Helical Phase Inflation and Monodromy in Supergravity Theory

Directory of Open Access Journals (Sweden)

Tianjun Li

2015-01-01

Full Text Available We study helical phase inflation which realizes “monodromy inflation” in supergravity theory. In the model, inflation is driven by the phase component of a complex field whose potential possesses helicoid structure. We construct phase monodromy based on explicitly breaking global U(1 symmetry in the superpotential. By integrating out heavy fields, the phase monodromy from single complex scalar field is realized and the model fulfills natural inflation. The phase-axion alignment is achieved from explicitly symmetry breaking and gives super-Planckian phase decay constant. The F-term scalar potential provides strong field stabilization for all the scalars except inflaton, which is protected by the approximate global U(1 symmetry. Besides, we show that helical phase inflation can be naturally realized in no-scale supergravity with SU(2,1/SU(2×U(1 symmetry since the supergravity setup needed for phase monodromy is automatically provided in the no-scale Kähler potential. We also demonstrate that helical phase inflation can be reduced to another well-known supergravity inflation model with shift symmetry. Helical phase inflation is free from the UV-sensitivity problem although there is super-Planckian field excursion, and it suggests that inflation can be effectively studied based on supersymmetric field theory while a UV-completed framework is not prerequisite.

Increased phase synchronization during continuous face integration measured simultaneously with EEG and fMRI.

Science.gov (United States)

Kottlow, Mara; Jann, Kay; Dierks, Thomas; Koenig, Thomas

2012-08-01

Gamma zero-lag phase synchronization has been measured in the animal brain during visual binding. Human scalp EEG studies used a phase locking factor (trial-to-trial phase-shift consistency) or gamma amplitude to measure binding but did not analyze common-phase signals so far. This study introduces a method to identify networks oscillating with near zero-lag phase synchronization in human subjects. We presented unpredictably moving face parts (NOFACE) which - during some periods - produced a complete schematic face (FACE). The amount of zero-lag phase synchronization was measured using global field synchronization (GFS). GFS provides global information on the amount of instantaneous coincidences in specific frequencies throughout the brain. Gamma GFS was increased during the FACE condition. To localize the underlying areas, we correlated gamma GFS with simultaneously recorded BOLD responses. Positive correlates comprised the bilateral middle fusiform gyrus and the left precuneus. These areas may form a network of areas transiently synchronized during face integration, including face-specific as well as binding-specific regions and regions for visual processing in general. Thus, the amount of zero-lag phase synchronization between remote regions of the human visual system can be measured with simultaneously acquired EEG/fMRI. Copyright © 2012 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

The Bogolubov Representation of the Polaron Model and Its Completely Integrable RPA-Approximation

International Nuclear Information System (INIS)

Bogolubov, Nikolai N. Jr.; Prykarpatsky, Yarema A.; Ghazaryan, Anna A.

2009-12-01

The polaron model in ionic crystal is studied in the N. Bogolubov representation using a special RPA-approximation. A new exactly solvable approximated polaron model is derived and described in detail. Its free energy at finite temperature is calculated analytically. The polaron free energy in the constant magnetic field at finite temperature is also discussed. Based on the structure of the N. Bogolubov unitary transformed polaron Hamiltonian a very important new result is stated: the full polaron model is exactly solvable. (author)

Photoelectron spectroscopy and the dipole approximation

Energy Technology Data Exchange (ETDEWEB)

Hemmers, O.; Hansen, D.L.; Wang, H. [Univ. of Nevada, Las Vegas, NV (United States)] [and others

1997-04-01

Photoelectron spectroscopy is a powerful technique because it directly probes, via the measurement of photoelectron kinetic energies, orbital and band structure in valence and core levels in a wide variety of samples. The technique becomes even more powerful when it is performed in an angle-resolved mode, where photoelectrons are distinguished not only by their kinetic energy, but by their direction of emission as well. Determining the probability of electron ejection as a function of angle probes the different quantum-mechanical channels available to a photoemission process, because it is sensitive to phase differences among the channels. As a result, angle-resolved photoemission has been used successfully for many years to provide stringent tests of the understanding of basic physical processes underlying gas-phase and solid-state interactions with radiation. One mainstay in the application of angle-resolved photoelectron spectroscopy is the well-known electric-dipole approximation for photon interactions. In this simplification, all higher-order terms, such as those due to electric-quadrupole and magnetic-dipole interactions, are neglected. As the photon energy increases, however, effects beyond the dipole approximation become important. To best determine the range of validity of the dipole approximation, photoemission measurements on a simple atomic system, neon, where extra-atomic effects cannot play a role, were performed at BL 8.0. The measurements show that deviations from {open_quotes}dipole{close_quotes} expectations in angle-resolved valence photoemission are observable for photon energies down to at least 0.25 keV, and are quite significant at energies around 1 keV. From these results, it is clear that non-dipole angular-distribution effects may need to be considered in any application of angle-resolved photoelectron spectroscopy that uses x-ray photons of energies as low as a few hundred eV.

Lowest lying 2+ and 3- vibrational states in Pb, Sn, and Ni isotopes in relativistic quasiparticle random-phase approximation

International Nuclear Information System (INIS)

Ansari, A.; Ring, P.

2006-01-01

The excitation energies and electric multipole decay rates of the lowest lying 2 + and 3 - vibrational states in Pb, Sn, and Ni nuclei are calculated following relativistic quasiparticle random-phase approximation formalism based on the relativistic Hartree-Bogoliubov mean field. Two sets of Lagrangian parameters, NL1 and NL3, are used to investigate the effect of the nuclear force. Overall there is good agreement with the available experimental data for a wide range of mass numbers considered here, and the NL3 set seems to be a better choice. However, strictly speaking, these studies point toward the need of a new set of force parameters that could produce more realistic single-particle levels, at least in vicinity of the Fermi surface, of a wide range of nuclear masses

Stability of superfluid phases in the 2D spin-polarized attractive Hubbard model

Science.gov (United States)

Kujawa-Cichy, A.; Micnas, R.

2011-08-01

We study the evolution from the weak coupling (BCS-like limit) to the strong coupling limit of tightly bound local pairs (LPs) with increasing attraction, in the presence of the Zeeman magnetic field (h) for d=2, within the spin-polarized attractive Hubbard model. The broken symmetry Hartree approximation as well as the strong coupling expansion are used. We also apply the Kosterlitz-Thouless (KT) scenario to determine the phase coherence temperatures. For spin-independent hopping integrals (t↑=t↓), we find no stable homogeneous polarized superfluid (SCM) state in the ground state for the strong attraction and obtain that for a two-component Fermi system on a 2D lattice with population imbalance, phase separation (PS) is favoured for a fixed particle concentration, even on the LP (BEC) side. We also examine the influence of spin-dependent hopping integrals (mass imbalance) on the stability of the SCM phase. We find a topological quantum phase transition (Lifshitz type) from the unpolarized superfluid phase (SC0) to SCM and tricritical points in the h-|U| and t↑/t↓-|U| ground-state phase diagrams. We also construct the finite temperature phase diagrams for both t↑=t↓ and t↑≠t↓ and analyze the possibility of occurrence of a spin-polarized KT superfluid.

Effect of atomic disorder on the magnetic phase separation

Science.gov (United States)

Groshev, A. G.; Arzhnikov, A. K.

2018-05-01

The effect of disorder on the magnetic phase separation between the antiferromagnetic and incommensurate helical and phases is investigated. The study is based on the quasi-two-dimensional single-band Hubbard model in the presence of atomic disorder (the Anderson–Hubbard model). A model of binary alloy disorder is considered, in which the disorder is determined by the difference in energy between the host and impurity atomic levels at a fixed impurity concentration. The problem is solved within the theory of functional integration in static approximation. Magnetic phase diagrams are obtained as functions of the temperature, the number of electrons and impurity concentration with allowance for phase separation. It is shown that for the model parameters chosen, the disorder caused by impurities whose atomic-level energy is greater than that of the host atomic levels, leads to qualitative changes in the phase diagram of the impurity-free system. In the opposite case, only quantitative changes occur. The peculiarities of the effect of disorder on the phase separation regions of the quasi-two-dimensional Hubbard model are discussed.

Scattering Light by а Cylindrical Capsule with Arbitrary End Caps in the Rayleigh-Gans-Debye Approximation

Directory of Open Access Journals (Sweden)

K. A. Shapovalov

2015-01-01

Full Text Available The paper concerns the light scattering problem of biological objects of complicated structure.It considers optically “soft” (having a refractive index close to that of a surrounding medium homogeneous cylindrical capsules, composed of three parts: central one that is cylindrical and two symmetrical rounding end caps. Such capsules can model more broad class of biological objects than the ordinary shapes of a spheroid or sphere. But, unfortunately, if a particle has other than a regular geometrical shape, then it is very difficult or impossible to solve the scattering problem analytically in its most general form that oblige us to use numerical and approximate analytical methods. The one of such approximate analytical method is the Rayleigh-Gans-Debye approximation (or the first Born approximation.So, the Rayleigh-Gans-Debye approximation is valid for different objects having size from nanometer to millimeter and depending on wave length and refractive index of an object under small phase shift of central ray.The formulas for light scattering amplitude of cylindrical capsule with arbitrary end caps in the Rayleigh-Gans-Debye approximation in scalar form are obtained. Then the light scattering phase function [or element of scattering matrix f11] for natural incident light (unpolarized or arbitrary polarized light is calculated.Numerical results for light scattering phase functions of cylindrical capsule with conical, spheroidal, paraboloidal ends in the Rayleigh-Gans-Debye approximation are compared. Also numerical results for light scattering phase function of cylindrical capsule with conical ends in the Rayleigh-Gans-Debye approximation and in the method of Purcell-Pennypacker (or Discrete Dipole method are compared. The good agreement within an application range of the RayleighGans-Debye approximation is obtained.Further continuation of the work, perhaps, is a consideration of multilayer cylindrical capsule in the Rayleigh

Particle in a standing wave field; beyond the oscillation center approximation

International Nuclear Information System (INIS)

Schmidt, G.

1982-01-01

The ponderomotive force arises in plasma physics as a weak field approximation on particle dynamics. Recent advances in stochasticity theory lead to the conclusion that for sufficiently strong fields, the ponderomotive potential well disappears, and significant portions of phase space are filled with stochastic trajectories. This is illustrated by numerically studying the phase space behavior of the oscillation center. (author)

Approximate motion integral for a hydrogen atom in a magnetic field

International Nuclear Information System (INIS)

Solov'ev, E.A.

1981-01-01

It is shown that the Schroedinger equation for highly excited states of a hydrogen atom in a magnetic field H allows a separation of variables (within an accuracy of H 4 ) in elliptical-cylindrical coordinates on a sphere in a four-dimensional momentum space. A new classification and approximate selection rules are proposed for these states

Reference Determinant Dependence of the Random Phase Approximation in 3d Transition Metal Chemistry.

Science.gov (United States)

Bates, J E; Mezei, P D; Csonka, G I; Sun, J; Ruzsinszky, A

2017-01-10

Without extensive fitting, accurate prediction of transition metal chemistry is a challenge for semilocal and hybrid density funcitonals. The Random Phase Approximation (RPA) has been shown to yield superior results to semilocal functionals for main group thermochemistry, but much less is known about its performance for transition metals. We have therefore analyzed the behavior of reaction energies, barrier heights, and ligand dissociation energies obtained with RPA and compare our results to several semilocal and hybrid functionals. Particular attention is paid to the reference determinant dependence of RPA. We find that typically the results do not vary much between semilocal or hybrid functionals as a reference, as long as the fraction of exact exchange (EXX) mixing in the hybrid functional is small. For large fractions of EXX mixing, however, the Hartree-Fock-like nature of the determinant can severely degrade the performance. Overall, RPA systematically reduces the errors of semilocal functionals and delivers excellent performance from a single reference determinant for inherently multireference reactions. The behavior of dual hybrids that combine RPA correlation with a hybrid exchange energy was also explored, but ultimately did not lead to a systematic improvement compared to traditional RPA for these systems. We rationalize this conclusion by decomposing the contributions to the reaction energies, and briefly discuss the possible implications for double-hybrid functionals based on RPA. The correlation between EXX mixing and spin-symmetry breaking is also discussed.

Calculations of the properties of superconducting alloys via the average T-matrix approximation

International Nuclear Information System (INIS)

Chatterjee, P.

1980-01-01

The theoretical formula of McMillan, modified via the multiple-scattering theory by Gomersall and Gyorffy, has been very successful in computing the electron-phonon coupling constant (lambda) and the transition temperature (Tsub(c)) of many superconducting elements and compounds. For disordered solids, such as substitutional alloys, however, this theory fails because of the breakdown of the translational symmetry used in the multiple-scattering theory. Under these conditions the problem can still be solved if the t-matrix is averaged in the random phase approximation (average T-matrix approximation). Gomersall and Gyorffy's expression is reformulated for lambda in the random phase approximation. This theory is applied to calculate lambda and Tsub(c) of the binary substitutional NbMo alloy system at different concentrations. The results appear to be in fair agreement with experiments. (author)

Approximation of ruin probabilities via Erlangized scale mixtures

DEFF Research Database (Denmark)

Peralta, Oscar; Rojas-Nandayapa, Leonardo; Xie, Wangyue

2018-01-01

In this paper, we extend an existing scheme for numerically calculating the probability of ruin of a classical Cramér–Lundbergreserve process having absolutely continuous but otherwise general claim size distributions. We employ a dense class of distributions that we denominate Erlangized scale...... a simple methodology for constructing a sequence of distributions having the form Π⋆G with the purpose of approximating the integrated tail distribution of the claim sizes. Then we adapt a recent result which delivers an explicit expression for the probability of ruin in the case that the claim size...... distribution is modeled as an Erlangized scale mixture. We provide simplified expressions for the approximation of the probability of ruin and construct explicit bounds for the error of approximation. We complement our results with a classical example where the claim sizes are heavy-tailed....

Analyzing Local Spatio-Temporal Patterns of Police Calls-for-Service Using Bayesian Integrated Nested Laplace Approximation

Directory of Open Access Journals (Sweden)

Hui Luan

2016-09-01

Full Text Available This research investigates spatio-temporal patterns of police calls-for-service in the Region of Waterloo, Canada, at a fine spatial and temporal resolution. Modeling was implemented via Bayesian Integrated Nested Laplace Approximation (INLA. Temporal patterns for two-hour time periods, spatial patterns at the small-area scale, and space-time interaction (i.e., unusual departures from overall spatial and temporal patterns were estimated. Temporally, calls-for-service were found to be lowest in the early morning (02:00–03:59 and highest in the evening (20:00–21:59, while high levels of calls-for-service were spatially located in central business areas and in areas characterized by major roadways, universities, and shopping centres. Space-time interaction was observed to be geographically dispersed during daytime hours but concentrated in central business areas during evening hours. Interpreted through the routine activity theory, results are discussed with respect to law enforcement resource demand and allocation, and the advantages of modeling spatio-temporal datasets with Bayesian INLA methods are highlighted.

Use and Subtleties of Saddlepoint Approximation for Minimum Mean-Square Error Estimation

DEFF Research Database (Denmark)

Beierholm, Thomas; Nuttall, Albert H.; Hansen, Lars Kai

2008-01-01

integral representation. However, the examples also demonstrate that when two saddle points are close or coalesce, then saddle-point approximation based on isolated saddle points is not valid. A saddle-point approximation based on two close or coalesced saddle points is derived and in the examples......, the validity and accuracy of the derivation is demonstrated...

A NEW FAMILY OF MULTISTEP METHODS WITH IMPROVED PHASE-LAG CHARACTERISTICS FOR THE INTEGRATION OF ORBITAL PROBLEMS

International Nuclear Information System (INIS)

Vlachos, D. S.; Anastassi, Z. A.; Simos, T. E.

2009-01-01

In this paper, we introduce a new family of 10-step linear multistep methods for the integration of orbital problems. The new methods are constructed by adopting a new methodology which improves the phase-lag characteristics by vanishing both the phase-lag function and its first derivatives at a specific frequency. The efficiency of the new family of methods is proved via error analysis and numerical applications.

Integrated motor drive and non-isolated battery charger based on the split-phase PM motors for plug-in vehicles

Directory of Open Access Journals (Sweden)

Saeid Haghbin

2014-06-01

Full Text Available A novel integrated motor drive and non-isolated battery charger based on a split-phase permanent magnet (PM motor is presented and described for a plug-in vehicle. The motor windings are reconfigured by a relay for the traction and charging operation. In traction mode, the motor is like a normal three-phase motor, whereas in the charging mode, after windings reconnection, the system is a three-phase Boost rectifier. One important challenge to use the motor as three inductors in charger circuit is to have it in standstill during the battery charging. Based on the presented mathematical model of a split-phase PM motor, the zero-torque condition of the motor is explained which led to a proper windings reconnection for the charging. Simulation and experimental results of two separate practical systems are provided to verify the proposed integrated battery charger. Some practical limitations and design recommendations are provided to achieve a more realistic practical system.

Experiment-specific cosmic microwave background calculations made easier - Approximation formula for smoothed delta T/T windows

Science.gov (United States)

Gorski, Krzysztof M.

1993-01-01

Simple and easy to implement elementary function approximations are introduced to the spectral window functions needed in calculations of model predictions of the cosmic microwave backgrond (CMB) anisotropy. These approximations allow the investigator to obtain model delta T/T predictions in terms of single integrals over the power spectrum of cosmological perturbations and to avoid the necessity of performing the additional integrations. The high accuracy of these approximations is demonstrated here for the CDM theory-based calculations of the expected delta T/T signal in several experiments searching for the CMB anisotropy.

Advanced Data Mining and Deployment for Integrated Vehicle Health Management and the Space Vehicle Lifecycle, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — In a successful Phase 1 project for NASA SBIR topic A1.05, "Data Mining for Integrated Vehicle Health Management," Michigan Aerospace Corporation (MAC) demonstrated...

Intermolecular interactions in the condensed phase

DEFF Research Database (Denmark)

Christensen, Anders S.; Kromann, Jimmy Charnley; Jensen, Jan Halborg

2017-01-01

To facilitate further development of approximate quantum mechanical methods for condensed phase applications, we present a new benchmark dataset of intermolecular interaction energies in the solution phase for a set of 15 dimers, each containing one charged monomer. The reference interaction energy...... and solution phases. As most approximate QM methods are parametrized and evaluated using data measured or calculated in the gas phase, the dataset represents an important first step toward calibrating QM based methods for application in the condensed phase where polarization and exchange repulsion need...

Qsub(N) approximation for slowing-down in fast reactors

International Nuclear Information System (INIS)

Rocca-Volmerange, Brigitte.

1976-05-01

An accurate and simple determination of the neutron energy spectra in fast reactors poses several problems. The slowing-down models (Fermi, Wigner, Goertzel-Greuling...) which are different forms of the approximation with order N=0 may prove inaccurate, in spite of recent improvements. A new method of approximation is presented which turns out to be a method of higher order: the Qsub(N) method. It is characterized by a rapid convergence with respect to the order N, by the use of some global parameters to represent the slowing-down and by the expression of the Boltzmann integral equation in a differential formalism. Numerous test verify that, for the order N=2 or 3, the method gives precision equivalent to that of the multigroup numerical integration for the spectra with greatly reduced calculational effort. Furthermore, since the Qsub(N) expressions are a kind of synthesis method, they allow calculation of the spatial Green's function, or the use of collision probabilities to find the flux. Both possibilities have been introduced into existing reactor codes: EXCALIBUR, TRALOR, RE MINEUR... Some applications to multi-zone media (core, blanket, reflector of Masurca pile and exponential slabs) are presented in the isotropic collision approximation. The case of linearly anisotropic collisions is theoretically resolved [fr

Computation of the power spectrum in chaotic ¼λφ4 inflation

International Nuclear Information System (INIS)

Rojas, Clara; Villalba, Víctor M.

2012-01-01

The phase-integral approximation devised by Fröman and Fröman, is used for computing cosmological perturbations in the quartic chaotic inflationary model. The phase-integral formulas for the scalar power spectrum are explicitly obtained up to fifth order of the phase-integral approximation. As in previous reports (Rojas 2007b, 2007c and 2009), we point out that the accuracy of the phase-integral approximation compares favorably with the numerical results and those obtained using the slow-roll and uniform approximation methods

Computation of the power spectrum in chaotic ¼λφ{sup 4} inflation

Energy Technology Data Exchange (ETDEWEB)

Rojas, Clara [Centro de Estudios Interdisciplinarios de la Física, Instituto Venezolano de Investigaciones Científicas (IVIC), Carretera Panamericana Km. 11, Caracas 1020A (Venezuela, Bolivarian Republic of); Villalba, Víctor M., E-mail: clararoj@gmail.com, E-mail: Victor.Villalba@monash.edu [School of Mathematical Sciences, Faculty of Science, Monash University, Clayton, Vic 3800 (Australia)

2012-01-01

The phase-integral approximation devised by Fröman and Fröman, is used for computing cosmological perturbations in the quartic chaotic inflationary model. The phase-integral formulas for the scalar power spectrum are explicitly obtained up to fifth order of the phase-integral approximation. As in previous reports (Rojas 2007b, 2007c and 2009), we point out that the accuracy of the phase-integral approximation compares favorably with the numerical results and those obtained using the slow-roll and uniform approximation methods.

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

International Nuclear Information System (INIS)

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

2009-01-01

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

Phase transitions in local equation-of-state approximation and anomalies of spatial charge profiles in non-uniform plasma

Science.gov (United States)

Chigvintsev, A. Yu; Zorina, I. G.; Noginova, L. Yu; Iosilevskiy, I. L.

2018-01-01

Impressive appearance of discontinuities in equilibrium spatial charge profiles in non-uniform Coulomb systems is under discussions in wide number of thermoelectrostatics problems. Such discontinuities are considered as peculiar micro-level manifestation of phase transitions and intrinsic macro-level non-ideality effects in local equation of state (EOS), which should be used for description of non-ideal ionic subsystem in frames of local-density (or “pseudofluid”, or “jellium” etc) approximation. Such discontinuities were discussed already by the authors for electronic subsystems. Special emphasis is made in present paper on the mentioned above non-ideality effects in non-uniform ionic subsystems, such as micro-ions profile within screening “cloud” around macro-ion in complex (dusty, colloid etc) plasmas, equilibrium charge profile in ionic traps or (and) in the neighborhood vicinity of “charged wall” etc). Multiphase EOS for simplified ionic model of classical charged hard spheres on uniformly compressible electrostatic compensating background was constructed and several illustrative examples of discussed discontinuous ionic profiles were calculated.

Assessing the performance of the random phase approximation for exchange and superexchange coupling constants in magnetic crystalline solids

DEFF Research Database (Denmark)

Olsen, Thomas

2017-01-01

The random phase approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are bound to fail. This immediately poses the question of whether...... the RPA is also able to capture the correct physics of strongly correlated solids such asMott insulators. Due to strong electron localization, magnetic interactions in such systems are dominated by superexchange, which in the simplest picture can be regarded as the analog of static correlation...... for molecules. In this paper, we investigate the performance of the RPA for evaluating both superexchange and direct exchange interactions in the magnetic solids NiO, MnO, Na3Cu2SbO6, Sr2CuO3, Sr2CuTeO6, and a monolayer of CrI3, which were chosen to represent a broad variety of magnetic interactions...

Sampling and Low-Rank Tensor Approximation of the Response Surface

KAUST Repository

Litvinenko, Alexander; Matthies, Hermann Georg; El-Moselhy, Tarek A.

2013-01-01

Most (quasi)-Monte Carlo procedures can be seen as computing some integral over an often high-dimensional domain. If the integrand is expensive to evaluate-we are thinking of a stochastic PDE (SPDE) where the coefficients are random fields and the integrand is some functional of the PDE-solution-there is the desire to keep all the samples for possible later computations of similar integrals. This obviously means a lot of data. To keep the storage demands low, and to allow evaluation of the integrand at points which were not sampled, we construct a low-rank tensor approximation of the integrand over the whole integration domain. This can also be viewed as a representation in some problem-dependent basis which allows a sparse representation. What one obtains is sometimes called a "surrogate" or "proxy" model, or a "response surface". This representation is built step by step or sample by sample, and can already be used for each new sample. In case we are sampling a solution of an SPDE, this allows us to reduce the number of necessary samples, namely in case the solution is already well-represented by the low-rank tensor approximation. This can be easily checked by evaluating the residuum of the PDE with the approximate solution. The procedure will be demonstrated in the computation of a compressible transonic Reynolds-averaged Navier-Strokes flow around an airfoil with random/uncertain data. © Springer-Verlag Berlin Heidelberg 2013.

A new approach for determining phase response curves reveals that Purkinje cells can act as perfect integrators.

Directory of Open Access Journals (Sweden)

Elena Phoka

2010-04-01

Full Text Available Cerebellar Purkinje cells display complex intrinsic dynamics. They fire spontaneously, exhibit bistability, and via mutual network interactions are involved in the generation of high frequency oscillations and travelling waves of activity. To probe the dynamical properties of Purkinje cells we measured their phase response curves (PRCs. PRCs quantify the change in spike phase caused by a stimulus as a function of its temporal position within the interspike interval, and are widely used to predict neuronal responses to more complex stimulus patterns. Significant variability in the interspike interval during spontaneous firing can lead to PRCs with a low signal-to-noise ratio, requiring averaging over thousands of trials. We show using electrophysiological experiments and simulations that the PRC calculated in the traditional way by sampling the interspike interval with brief current pulses is biased. We introduce a corrected approach for calculating PRCs which eliminates this bias. Using our new approach, we show that Purkinje cell PRCs change qualitatively depending on the firing frequency of the cell. At high firing rates, Purkinje cells exhibit single-peaked, or monophasic PRCs. Surprisingly, at low firing rates, Purkinje cell PRCs are largely independent of phase, resembling PRCs of ideal non-leaky integrate-and-fire neurons. These results indicate that Purkinje cells can act as perfect integrators at low firing rates, and that the integration mode of Purkinje cells depends on their firing rate.

Scattering in particle-hole space: simple approximations to nuclear RPA calculations in the continuum

International Nuclear Information System (INIS)

Toledo Piza, A.F.R. de.

1987-01-01

The Random Phase Approximation (RPA) treatment of nuclear small amplitude vibrations including particle-hole continua is handled in terms of previously developed techniques to treat single-particle resonances in a reaction theoretical framework. A hierarchy of interpretable approximations is derived and a simple working approximation is proposed which involves a numerical effort no larger than that involved in standard, discrete RPA calculations. (Author) [pt

Two correlated quasiparticles states in the principal series approximation

International Nuclear Information System (INIS)

Dukelsky, J.; Dussel, G.G.; Sofia, H.M.

1983-01-01

The principal series approximation is extended to the description of two correlated quasiparticles states, enabling a treatment of these states that takes into account the coupling among the two particle Green's function and the particle-hole one. This description is related to a random phase approximation treatment of collective states in open shell nuclei that includes simultaneously the particle-particle and particle-hole versions of the nuclear residual Hamiltonian. Using separable interactions it is found that the inclusion of the particle-particle part of the Hamiltonians greatly changes the properties of the 2 + states in the Sn isotopes

Quantum mean-field approximations for nuclear bound states and tunneling

International Nuclear Information System (INIS)

Negele, J.W.; Levit, S.; Paltiel, Z.; Massachusetts Inst. of Tech., Cambridge

1979-01-01

A conceptual framework has been presented in which observables are approximated in terms of a self-consistent quantum mean-field theory. Since the SPA (Stationary Phase Approximation) determines the optimal mean field to approximate a given observable, it is natural that when one changes the observable, the best mean field to describe it changes as well. Although the theory superficially appears applicable to any observable expressible in terms of an evolution operator, for example an S-matrix element, one would have to go far beyond the SPA to adequately approximate the overlap of two many-body wave functions. The most salient open problems thus concern quantitative assessment of the accuracy of the SPA, reformulation of the theory to accomodate hard cores, and selection of sensible expectation values of few-body operators to address in scattering problems

Phase portraits of cubic polynomial vector fields of Lotka-Volterra type having a rational first integral of degree 2

International Nuclear Information System (INIS)

Cairo, Laurent; Llibre, Jaume

2007-01-01

We classify all the global phase portraits of the cubic polynomial vector fields of Lotka-Volterra type having a rational first integral of degree 2. For such vector fields there are exactly 28 different global phase portraits in the Poincare disc up to a reversal of sense of all orbits

Bridge density functional approximation for non-uniform hard core repulsive Yukawa fluid

International Nuclear Information System (INIS)

Zhou Shiqi

2008-01-01

In this work, a bridge density functional approximation (BDFA) (J. Chem. Phys. 112, 8079 (2000)) for a non-uniform hard-sphere fluid is extended to a non-uniform hard-core repulsive Yukawa (HCRY) fluid. It is found that the choice of a bulk bridge functional approximation is crucial for both a uniform HCRY fluid and a non-uniform HCRY fluid. A new bridge functional approximation is proposed, which can accurately predict the radial distribution function of the bulk HCRY fluid. With the new bridge functional approximation and its associated bulk second order direct correlation function as input, the BDFA can be used to well calculate the density profile of the HCRY fluid subjected to the influence of varying external fields, and the theoretical predictions are in good agreement with the corresponding simulation data. The calculated results indicate that the present BDFA captures quantitatively the phenomena such as the coexistence of solid-like high density phase and low density gas phase, and the adsorption properties of the HCRY fluid, which qualitatively differ from those of the fluids combining both hard-core repulsion and an attractive tail. (condensed matter: structure, thermal and mechanical properties)

Approximation by some combinations of Poisson integrals for Hermite and Laguerre expansions

Directory of Open Access Journals (Sweden)

Grażyna Krech

2013-02-01

Full Text Available The aim of this paper is the study of a rate of convergence of some combinations of Poisson integrals for Hermite and Laguerre expansions. We are able to achieve faster convergence for our modified operators over the Poisson integrals. We prove also the Voronovskaya type theorem for these new operators.

A positivity preserving and conservative variational scheme for phase-field modeling of two-phase flows

Science.gov (United States)

Joshi, Vaibhav; Jaiman, Rajeev K.

2018-05-01

We present a positivity preserving variational scheme for the phase-field modeling of incompressible two-phase flows with high density ratio. The variational finite element technique relies on the Allen-Cahn phase-field equation for capturing the phase interface on a fixed Eulerian mesh with mass conservative and energy-stable discretization. The mass conservation is achieved by enforcing a Lagrange multiplier which has both temporal and spatial dependence on the underlying solution of the phase-field equation. To make the scheme energy-stable in a variational sense, we discretize the spatial part of the Lagrange multiplier in the phase-field equation by the mid-point approximation. The proposed variational technique is designed to reduce the spurious and unphysical oscillations in the solution while maintaining the second-order accuracy of both spatial and temporal discretizations. We integrate the Allen-Cahn phase-field equation with the incompressible Navier-Stokes equations for modeling a broad range of two-phase flow and fluid-fluid interface problems. The coupling of the implicit discretizations corresponding to the phase-field and the incompressible flow equations is achieved via nonlinear partitioned iterative procedure. Comparison of results between the standard linear stabilized finite element method and the present variational formulation shows a remarkable reduction of oscillations in the solution while retaining the boundedness of the phase-indicator field. We perform a standalone test to verify the accuracy and stability of the Allen-Cahn two-phase solver. We examine the convergence and accuracy properties of the coupled phase-field solver through the standard benchmarks of the Laplace-Young law and a sloshing tank problem. Two- and three-dimensional dam break problems are simulated to assess the capability of the phase-field solver for complex air-water interfaces involving topological changes on unstructured meshes. Finally, we demonstrate the phase

Many-body perturbation theory using the density-functional concept: beyond the GW approximation.

Science.gov (United States)

Bruneval, Fabien; Sottile, Francesco; Olevano, Valerio; Del Sole, Rodolfo; Reining, Lucia

2005-05-13

We propose an alternative formulation of many-body perturbation theory that uses the density-functional concept. Instead of the usual four-point integral equation for the polarizability, we obtain a two-point one, which leads to excellent optical absorption and energy-loss spectra. The corresponding three-point vertex function and self-energy are then simply calculated via an integration, for any level of approximation. Moreover, we show the direct impact of this formulation on the time-dependent density-functional theory. Numerical results for the band gap of bulk silicon and solid argon illustrate corrections beyond the GW approximation for the self-energy.

Perturbative stability of the approximate Killing field eigenvalue problem

International Nuclear Information System (INIS)

Beetle, Christopher; Wilder, Shawn

2014-01-01

An approximate Killing field may be defined on a compact, Riemannian geometry by solving an eigenvalue problem for a certain elliptic operator. This paper studies the effect of small perturbations in the Riemannian metric on the resulting vector field. It shows that small metric perturbations, as measured using a Sobolev-type supremum norm on the space of Riemannian geometries on a fixed manifold, yield small perturbations in the approximate Killing field, as measured using a Hilbert-type square integral norm. It also discusses applications to the problem of computing the spin of a generic black hole in general relativity. (paper)

Monolithic Microwave Integrated Circuit (MMIC) Phased Array Demonstrated With ACTS

Science.gov (United States)

1996-01-01

Monolithic Microwave Integrated Circuit (MMIC) arrays developed by the NASA Lewis Research Center and the Air Force Rome Laboratory were demonstrated in aeronautical terminals and in mobile or fixed Earth terminals linked with NASA's Advanced Communications Technology Satellite (ACTS). Four K/Ka-band experimental arrays were demonstrated between May 1994 and May 1995. Each array had GaAs MMIC devices at each radiating element for electronic beam steering and distributed power amplification. The 30-GHz transmit array used in uplinks to ACTS was developed by Lewis and Texas Instruments. The three 20-GHz receive arrays used in downlinks from ACTS were developed in cooperation with the Air Force Rome Laboratory, taking advantage of existing Air Force integrated-circuit, active-phased-array development contracts with the Boeing Company and Lockheed Martin Corporation. Four demonstrations, each related to an application of high interest to both commercial and Department of Defense organizations, were conducted. The location, type of link, and the data rate achieved for each of the applications is shown. In one demonstration-- an aeronautical terminal experiment called AERO-X--a duplex voice link between an aeronautical terminal on the Lewis Learjet and ACTS was achieved. Two others demonstrated duplex voice links (and in one case, interactive video links as well) between ACTS and an Army high-mobility, multipurpose wheeled vehicle (HMMWV, or "humvee"). In the fourth demonstration, the array was on a fixed mount and was electronically steered toward ACTS. Lewis served as project manager for all demonstrations and as overall system integrator. Lewis engineers developed the array system including a controller for open-loop tracking of ACTS during flight and HMMWV motion, as well as a laptop data display and recording system used in all demonstrations. The Jet Propulsion Laboratory supported the AERO-X program, providing elements of the ACTS Mobile Terminal. The successful

Prostate IMRT fractionation strategies. Two-phase treatment versus simultaneous integrated boost

International Nuclear Information System (INIS)

Stavrev, P.; Hristov, D.

2003-01-01

Background. The purpose of the study was to investigate the radiobiological effect of the number of fractions, position uncertainties and clonogen spread (microscopic disease) on two different inverse treatment planning alternatives: (a) 2-phase strategy; (b) simultaneous integrated boost (SIB). Material and methods. The tumour control probability (TCP) and normal tissue complication probability (NTCP) were calculated for the 2-phase strategy, which has well defined fractionation scheme and compared to the TCP and NTCP for the SIB strategy calculated as a function of the number of fractions. For a 7-beam IMRT prostate treatment, we have performed inverse treatment planning for the two different strategies following the above method. Results. When the position uncertainties and clonogen spread were accounted for in the TCP calculation a drop as large as 10% was found. A drop of 5-7% in the TCP was obtained for the SIB strategy, if delivered in the same number of fractions as the 2-phased one. Conclusions. The potential of inverse planning to design tight conformal dose distributions is fully revealed in the SIB optimization process. The optimized SIB superior dose distributions require modification of the delivered dose per fraction and therefore careful selection of the fractionation regime. Hence physically optimized SIB treatments may not always lead to better tumour control and tissue sparing. (author)

Signals of a phase transition in nuclear multifragmentation: molecular-dynamics approximation

International Nuclear Information System (INIS)

Kiselev, S.M.

1989-01-01

The signals of a liquid-gas-like phase transition proposed recently by X.Campi are analyzed for the reactions Ca+Ca at E/A=400, 800MeV, Nb+Nb at E/A=150, 400,650,800MeV, La+La at E/A=800 MeV and Ne+U at E/A=400 MeV simulated on the basis of the molecular-dynamical model. For the symmetrical systems at E/A≥400 MeV the manifestations of a phase transition are conditioned by the peripheral collisions whereas for the reactions Nb+Nb at E/A=150 MeV and Ne+U at E/A=400 MeV the quasicentral events are a main source of the signals. The manifestations depend weakly on the projectile energy and become more pronounced for a more heavy nuclear system. 15 refs.; 3 figs

Dataset concerning the analytical approximation of the Ae3 temperature

Directory of Open Access Journals (Sweden)

B.L. Ennis

2017-02-01

The dataset includes the terms of the function and the values for the polynomial coefficients for major alloying elements in steel. A short description of the approximation method used to derive and validate the coefficients has also been included. For discussion and application of this model, please refer to the full length article entitled “The role of aluminium in chemical and phase segregation in a TRIP-assisted dual phase steel” 10.1016/j.actamat.2016.05.046 (Ennis et al., 2016 [1].

Approximate, analytic solutions of the Bethe equation for charged particle range

OpenAIRE

Swift, Damian C.; McNaney, James M.

2009-01-01

By either performing a Taylor expansion or making a polynomial approximation, the Bethe equation for charged particle stopping power in matter can be integrated analytically to obtain the range of charged particles in the continuous deceleration approximation. Ranges match reference data to the expected accuracy of the Bethe model. In the non-relativistic limit, the energy deposition rate was also found analytically. The analytic relations can be used to complement and validate numerical solu...

Modeling Rocket Flight in the Low-Friction Approximation

Directory of Open Access Journals (Sweden)

Logan White

2014-09-01

Full Text Available In a realistic model for rocket dynamics, in the presence of atmospheric drag and altitude-dependent gravity, the exact kinematic equation cannot be integrated in closed form; even when neglecting friction, the exact solution is a combination of elliptic functions of Jacobi type, which are not easy to use in a computational sense. This project provides a precise analysis of the various terms in the full equation (such as gravity, drag, and exhaust momentum, and the numerical ranges for which various approximations are accurate to within 1%. The analysis leads to optimal approximations expressed through elementary functions, which can be implemented for efficient flight prediction on simple computational devices, such as smartphone applications.

Attractive electron-electron interactions within robust local fitting approximations.

Science.gov (United States)

Merlot, Patrick; Kjærgaard, Thomas; Helgaker, Trygve; Lindh, Roland; Aquilante, Francesco; Reine, Simen; Pedersen, Thomas Bondo

2013-06-30

An analysis of Dunlap's robust fitting approach reveals that the resulting two-electron integral matrix is not manifestly positive semidefinite when local fitting domains or non-Coulomb fitting metrics are used. We present a highly local approximate method for evaluating four-center two-electron integrals based on the resolution-of-the-identity (RI) approximation and apply it to the construction of the Coulomb and exchange contributions to the Fock matrix. In this pair-atomic resolution-of-the-identity (PARI) approach, atomic-orbital (AO) products are expanded in auxiliary functions centered on the two atoms associated with each product. Numerical tests indicate that in 1% or less of all Hartree-Fock and Kohn-Sham calculations, the indefinite integral matrix causes nonconvergence in the self-consistent-field iterations. In these cases, the two-electron contribution to the total energy becomes negative, meaning that the electronic interaction is effectively attractive, and the total energy is dramatically lower than that obtained with exact integrals. In the vast majority of our test cases, however, the indefiniteness does not interfere with convergence. The total energy accuracy is comparable to that of the standard Coulomb-metric RI method. The speed-up compared with conventional algorithms is similar to the RI method for Coulomb contributions; exchange contributions are accelerated by a factor of up to eight with a triple-zeta quality basis set. A positive semidefinite integral matrix is recovered within PARI by introducing local auxiliary basis functions spanning the full AO product space, as may be achieved by using Cholesky-decomposition techniques. Local completion, however, slows down the algorithm to a level comparable with or below conventional calculations. Copyright © 2013 Wiley Periodicals, Inc.

Approximated treatment of the Pauli principle effects in elastic collisons

International Nuclear Information System (INIS)

Schechter, H.

1984-08-01

Exact microscopic methods like the RGM (Resonanting Group Method) and the GCM (Generator Coordinate Method) and approximate methods like the OCM (Orthogonality Condition Model) are used to study the effects of Pauli Principle in α- 16 O elastic scattering. Using V2 and BL nucleon-nucleon interactions, nucleus-nucleus effective potentials are obtained from RGM 'exact' wave functions and also from an approximate method developed previoulsy. Using these potentials in the OCM Saito Equation phase-shifts are calculated for partial waves Λ = 0, 1, ... 11, in the energy range 0 [pt

Exergy analysis of the solar still integrated nano composite phase change materials

International Nuclear Information System (INIS)

Methre, V.K.; Eswaramoorthy, M.

2015-01-01

This paper communicates the exergy analysis of solar still integrated with nano composite phase change materials for design and operating parameters. Al_2O_3 nano materials (50 nm) is dispersed by weight ratio in paraffin wax at melting state and its thermophysical properties are evaluated using developed correlation. Exergy balance equation for basin liner, thermal energy storage, glass cover and saline water is developed and exergy efficiency is analysed. It is found that exergy efficiency is improved by higher weight ratio of Al_2O_3 nano materials with paraffin wax alone. (author)

Strong approximations and sequential change-point analysis for diffusion processes

DEFF Research Database (Denmark)

Mihalache, Stefan-Radu

2012-01-01

In this paper ergodic diffusion processes depending on a parameter in the drift are considered under the assumption that the processes can be observed continuously. Strong approximations by Wiener processes for a stochastic integral and for the estimator process constructed by the one...

Mixed waste focus area integrated technical baseline report. Phase I, Volume 2: Revision 0

International Nuclear Information System (INIS)

1996-01-01

This document (Volume 2) contains the Appendices A through J for the Mixed Waste Focus Area Integrated Technical Baseline Report Phase I for the Idaho National Engineering Laboratory. Included are: Waste Type Managers' Resumes, detailed information on wastewater, combustible organics, debris, unique waste, and inorganic homogeneous solids and soils, and waste data information. A detailed list of technology deficiencies and site needs identification is also provided

Semiclassical moment of inertia shell-structure within the phase-space approach

International Nuclear Information System (INIS)

Gorpinchenko, D V; Magner, A G; Bartel, J; Blocki, J P

2015-01-01

The moment of inertia for nuclear collective rotations is derived within a semiclassical approach based on the cranking model and the Strutinsky shell-correction method by using the non-perturbative periodic-orbit theory in the phase-space variables. This moment of inertia for adiabatic (statistical-equilibrium) rotations can be approximated by the generalized rigid-body moment of inertia accounting for the shell corrections of the particle density. A semiclassical phase-space trace formula allows us to express the shell components of the moment of inertia quite accurately in terms of the free-energy shell corrections for integrable and partially chaotic Fermi systems, which is in good agreement with the corresponding quantum calculations. (paper)

The relationship between optical guiding and the relative phase in free-electron lasers

International Nuclear Information System (INIS)

Freund, H.P.; Antonsen, T.M. Jr.

1991-01-01

In this paper the relationship between the relative phase and optical guiding in the free-electron laser is studied. The relative phase in this case is defined as the shift in the wavenumber from the vacuum value integrated over the interaction length. In terms of the optical guiding of the signal in free-electron lasers, the relative phase must be positive in order for refractive guiding of the signal to occur. The relative phase is studied from the standpoint of the linear stability analysis in both the high- and low-gain regimes, and the qualitative implications in each of these regimes of the relative phase on the refractive guiding of the signal are identical. Specifically, the relative phase is found to be negative at the low-frequency over this band until it turns positive at a frequency approximately 10% below the frequency of peak gain. Thus optical guiding is indicated over a large portion, but not all, of the gain band. A quantitative measure of the optical guiding of the signal is obtained by an analytic formulation of the guiding of the signal. This formulation is based upon a separable beam approximation in which the evolution of the signal is determined by a Green's function analysis. The specific example of interest involves the low-gain regime prior to saturation. In this case, it is shown that the analytic result is in substantial agreement with the calculation of the relative phase

Integrated Time and Phase Synchronization Strategy for a Multichannel Spaceborne-Stationary Bistatic SAR System

Directory of Open Access Journals (Sweden)

Feng Hong

2016-07-01

Full Text Available The spatial separation of the transmitter and receiver in Bistatic Synthetic Aperture Radar (BiSAR makes it a promising and useful supplement to a classical Monostatic SAR system (MonoSAR. This paper proposes a novel integrated time and phase synchronization strategy for a multichannel spaceborne-stationary BiSAR system. Firstly, the time synchronization strategy is proposed, which includes Pulse Repetition Frequency (PRF generation under noisy conditions, multichannel calibration and the alignment of the recorded data with the orbital data. Furthermore, the phase synchronization strategy, which fully considers the deteriorative factors in the BiSAR configuration, is well studied. The contribution of the phase synchronization strategy includes two aspects: it not only compensates the phase error, but also improves the Signal to Noise Ratio (SNR of the obtained signals. Specifically, all direct signals on different PRF time can be reconstructed with the shift and phase compensation operation using a reference signal. Besides, since the parameters of the reference signal can be estimated only once using the selected practical direct signal and a priori information, the processing complexity is well reduced. Final imaging results with and without compensation for real data are presented to validate the proposed synchronization strategy.

Integral equation hierarchy for continuum percolation

International Nuclear Information System (INIS)

Given, J.A.

1988-01-01

In this thesis a projection operator technique is presented that yields hierarchies of integral equations satisfied exactly by the n-point connectedness functions in a continuum version of the site-bond percolation problem. The n-point connectedness functions carry the same structural information for a percolation problem as then-point correlation functions do for a thermal problem. This method extends the Potts model mapping of Fortuin and Kastelyn to the continuum by exploiting an s-state generalization of the Widom-Rowlinson model, a continuum model for phase separation. The projection operator technique is used to produce an integral equation hierarchy for percolation similar to the Born-Green heirarchy. The Kirkwood superposition approximation (SA) is extended to percolation in order to close this hierarchy and yield a nonlinear integral equation for the two-point connectedness function. The fact that this function, in the SA, is the analytic continuation to negative density of the two-point correlation function in a corresponding thermal problem is discussed. The BGY equation for percolation is solved numerically, both by an expansion in powers of the density, and by an iterative technique due to Kirkwood. It is argued both analytically and numerically, that the BYG equation for percolation, unlike its thermal counterpart, shows non-classical critical behavior, with η = 1 and γ = 0.05 ± .1. Finally a sequence of refinements to the superposition approximations based in the theory of fluids by Rice and Lekner is discussed

On one approximation in quantum chromodynamics

International Nuclear Information System (INIS)

Alekseev, A.I.; Bajkov, V.A.; Boos, Eh.Eh.

1982-01-01

Form of a complete fermion propagator near the mass shell is investigated. Considered is a nodel of quantum chromodynamics (MQC) where in the fermion section the Block-Nordsic approximation has been made, i. e. u-numbers are substituted for ν matrices. The model was investigated by means of the Schwinger-Dyson equation for a quark propagator in the infrared region. The Schwinger-Dyson equation was managed to reduce to a differential equation which is easily solved. At that, the Green function is suitable to represent as integral transformation

Structural integration and performance of inter-sectoral public health-related policy networks: An analysis across policy phases.

Science.gov (United States)

Peters, D T J M; Raab, J; Grêaux, K M; Stronks, K; Harting, J

2017-12-01

Inter-sectoral policy networks may be effective in addressing environmental determinants of health with interventions. However, contradictory results are reported on relations between structural network characteristics (i.e., composition and integration) and network performance, such as addressing environmental determinants of health. This study examines these relations in different phases of the policy process. A multiple-case study was performed on four public health-related policy networks. Using a snowball method among network actors, overall and sub-networks per policy phase were identified and the policy sector of each actor was assigned. To operationalise the outcome variable, interventions were classified by the proportion of environmental determinants they addressed. In the overall networks, no relation was found between structural network characteristics and network performance. In most effective cases, the policy development sub-networks were characterised by integration with less interrelations between actors (low cohesion), more equally distributed distances between the actors (low closeness centralisation), and horizontal integration in inter-sectoral cliques. The most effective case had non-public health central actors with less connections in all sub-networks. The results suggest that, to address environmental determinants of health, sub-networks should be inter-sectorally composed in the policy development rather than in the intervention development and implementation phases, and that policy development actors should have the opportunity to connect with other actors, without strong direction from a central actor. Copyright © 2017 Elsevier B.V. All rights reserved.

Development of a coal-fired combustion system for industrial process heating applications. Phase 3 final report, November 1992--December 1994

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-09-26

A three phase research and development program has resulted in the development and commercialization of a Cyclone Melting System (CMS{trademark}), capable of being fueled by pulverized coal, natural gas, and other solid, gaseous, or liquid fuels, for the vitrification of industrial wastes. The Phase 3 research effort focused on the development of a process heater system to be used for producing value added glass products from the vitrification of boiler/incinerator ashes and industrial wastes. The primary objective of the Phase 3 project was to develop and integrate all the system components, from fuel through total system controls, and then test the complete system in order to evaluate its potential for successful commercialization. The demonstration test consisted of one test run with a duration of 105 hours, approximately one-half (46 hours) performed with coal as the primary fuel source (70% to 100%), the other half with natural gas. Approximately 50 hours of melting operation were performed vitrifying approximately 50,000 lbs of coal-fired utility boiler flyash/dolomite mixture, producing a fully-reacted vitrified product.

A finite range coupled channel Born approximation code

International Nuclear Information System (INIS)

Nagel, P.; Koshel, R.D.

1978-01-01

The computer code OUKID calculates differential cross sections for direct transfer nuclear reactions in which multistep processes, arising from strongly coupled inelastic states in both the target and residual nuclei, are possible. The code is designed for heavy ion reactions where full finite range and recoil effects are important. Distorted wave functions for the elastic and inelastic scattering are calculated by solving sets of coupled differential equations using a Matrix Numerov integration procedure. These wave functions are then expanded into bases of spherical Bessel functions by the plane-wave expansion method. This approach allows the six-dimensional integrals for the transition amplitude to be reduced to products of two one-dimensional integrals. Thus, the inelastic scattering is treated in a coupled channel formalism while the transfer process is treated in a finite range born approximation formalism. (Auth.)

On the approximation of crack shapes found during inservice inspection

International Nuclear Information System (INIS)

Bhate, S.R.; Chawla, D.S.; Kushwaha, H.S.

1997-01-01

This paper addresses the characterization of axial internal flaw found during inservice inspection of a pipe. J-integral distribution for various flaw shapes is obtained using line spring finite, element method. The peak J-value and its distribution across the crack is found to be characteristic feature of each shape. The triangular shape yields peak J-value away from the center, the point of depth. The elliptic approximation results in large overestimate of J-value for unsymmetric flaws. Triangular approximation is recommended for such flaws so that further service can be obtained from the component

On the approximation of crack shapes found during inservice inspection

Energy Technology Data Exchange (ETDEWEB)

Bhate, S.R.; Chawla, D.S.; Kushwaha, H.S. [Bhabha Atomic Research Centre, Bombay (India)] [and others

1997-04-01

This paper addresses the characterization of axial internal flaw found during inservice inspection of a pipe. J-integral distribution for various flaw shapes is obtained using line spring finite, element method. The peak J-value and its distribution across the crack is found to be characteristic feature of each shape. The triangular shape yields peak J-value away from the center, the point of depth. The elliptic approximation results in large overestimate of J-value for unsymmetric flaws. Triangular approximation is recommended for such flaws so that further service can be obtained from the component.

Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions

Science.gov (United States)

Garza, Alejandro J.; Bulik, Ireneusz W.; Alencar, Ana G. Sousa; Sun, Jianwei; Perdew, John P.; Scuseria, Gustavo E.

2016-04-01

Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of dynamic correlation. In fact, CCD0 and BD0 do not account for any contributions from multielectron excitations involving only same-spin electrons at all. We exploit this feature to add - without introducing double counting, self-interaction, or increase in cost - the missing correlation to these methods via meta-GGA (generalised gradient approximation) density functionals (Tao-Perdew-Staroverov-Scuseria and strongly constrained and appropriately normed). Furthermore, we improve upon these CCD0+DFT blends by invoking range separation: the short- and long-range correlations absent in CCD0/BD0 are evaluated with density functional theory and the direct random phase approximation, respectively. This corrects the description of long-range van der Waals forces. Comprehensive benchmarking shows that the combinations presented here are very accurate for weakly correlated systems, while also providing a reasonable description of strongly correlated problems without resorting to symmetry breaking.

An effective algorithm for approximating adaptive behavior in seasonal environments

DEFF Research Database (Denmark)

Sainmont, Julie; Andersen, Ken Haste; Thygesen, Uffe Høgsbro

2015-01-01

Behavior affects most aspects of ecological processes and rates, and yet modeling frameworks which efficiently predict and incorporate behavioral responses into ecosystem models remain elusive. Behavioral algorithms based on life-time optimization, adaptive dynamics or game theory are unsuited...... for large global models because of their high computational demand. We compare an easily integrated, computationally efficient behavioral algorithm known as Gilliam's rule against the solution from a life-history optimization. The approximation takes into account only the current conditions to optimize...... behavior; the so-called "myopic approximation", "short sighted", or "static optimization". We explore the performance of the myopic approximation with diel vertical migration (DVM) as an example of a daily routine, a behavior with seasonal dependence that trades off predation risk with foraging...

Magnetocaloric effect (MCE): Microscopic approach within Tyablikov approximation for anisotropic ferromagnets

Energy Technology Data Exchange (ETDEWEB)

Kotelnikova, O.A.; Prudnikov, V.N. [Physical Faculty, Lomonosov State University, Department of Magnetism, Moscow (Russian Federation); Rudoy, Yu.G., E-mail: rudikar@mail.ru [People' s Friendship University of Russia, Department of Theoretical Physics, Moscow (Russian Federation)

2015-06-01

The aim of this paper is to generalize the microscopic approach to the description of the magnetocaloric effect (MCE) started by Kokorina and Medvedev (E.E. Kokorina, M.V. Medvedev, Physica B 416 (2013) 29.) by applying it to the anisotropic ferromagnet of the “easy axis” type in two settings—with external magnetic field parallel and perpendicular to the axis of easy magnetization. In the last case there appears the field induced (or spin-reorientation) phase transition which occurs at the critical value of the external magnetic field. This value is proportional to the exchange anisotropy constant at low temperatures, but with the rise of temperature it may be renormalized (as a rule, proportional to the magnetization). We use the explicit form of the Hamiltonian of the anisotropic ferromagnet and apply widely used random phase approximation (RPA) (known also as Tyablikov approximation in the Green function method) which is more accurate than the well known molecular field approximation (MFA). It is shown that in the first case the magnitude of MCE is raised whereas in the second one the MCE disappears due to compensation of the critical field renormalized with the magnetization.

The optimal XFEM approximation for fracture analysis

International Nuclear Information System (INIS)

Jiang Shouyan; Du Chengbin; Ying Zongquan

2010-01-01

The extended finite element method (XFEM) provides an effective tool for analyzing fracture mechanics problems. A XFEM approximation consists of standard finite elements which are used in the major part of the domain and enriched elements in the enriched sub-domain for capturing special solution properties such as discontinuities and singularities. However, two issues in the standard XFEM should specially be concerned: efficient numerical integration methods and an appropriate construction of the blending elements. In the paper, an optimal XFEM approximation is proposed to overcome the disadvantage mentioned above in the standard XFEM. The modified enrichment functions are presented that can reproduced exactly everywhere in the domain. The corresponding FORTRAN program is developed for fracture analysis. A classic problem of fracture mechanics is used to benchmark the program. The results indicate that the optimal XFEM can alleviate the errors and improve numerical precision.

KIT/KPS of Qinshan phase-II and a discussion on integrated information management and automatic control

International Nuclear Information System (INIS)

Yan Changhui

2001-01-01

Centralized Data Processing and Safety Panel (KIT/KPS) of Qinshan Phase-II power project is described, and the necessity and engineering scheme is presented of integrated information management and automatic control that would achieve in power plant according to the technology scheme and technology trait of KIT/KPS

The Wigner transform and the semi-classical approximations

International Nuclear Information System (INIS)

Shlomo, S.

1985-01-01

The Wigner transform provides a reformulation of quantum mechanics in terms of classical concepts. Some properties of the Wigner transform of the density matrix which justify its interpretation as the quantum-mechanical analog of the classical phase-space distribution function are presented. Considering some applications, it is demonstrated that the Wigner distribution function serves as a good starting point for semi-classical approximations to properties of the (nuclear) many-body system

A cluster approximation for the transfer-matrix method

International Nuclear Information System (INIS)

Surda, A.

1990-08-01

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

Confidence Intervals for Asbestos Fiber Counts: Approximate Negative Binomial Distribution.

Science.gov (United States)

Bartley, David; Slaven, James; Harper, Martin

2017-03-01

The negative binomial distribution is adopted for analyzing asbestos fiber counts so as to account for both the sampling errors in capturing only a finite number of fibers and the inevitable human variation in identifying and counting sampled fibers. A simple approximation to this distribution is developed for the derivation of quantiles and approximate confidence limits. The success of the approximation depends critically on the use of Stirling's expansion to sufficient order, on exact normalization of the approximating distribution, on reasonable perturbation of quantities from the normal distribution, and on accurately approximating sums by inverse-trapezoidal integration. Accuracy of the approximation developed is checked through simulation and also by comparison to traditional approximate confidence intervals in the specific case that the negative binomial distribution approaches the Poisson distribution. The resulting statistics are shown to relate directly to early research into the accuracy of asbestos sampling and analysis. Uncertainty in estimating mean asbestos fiber concentrations given only a single count is derived. Decision limits (limits of detection) and detection limits are considered for controlling false-positive and false-negative detection assertions and are compared to traditional limits computed assuming normal distributions. Published by Oxford University Press on behalf of the British Occupational Hygiene Society 2017.

Thermal performance of an integrated collector storage solar water heater (ICSSWH) with phase change materials (PCM)

International Nuclear Information System (INIS)

Chaabane, Monia; Mhiri, Hatem; Bournot, Philippe

2014-01-01

Highlights: • We study the effect of phase change materials integration on the thermal performances of an ICSSWH. • Two kinds and tree radiuses of the PCM layer are studied and the most appropriate design is presented. • The use of phase change materials in ICSSWH is determined to reduce the night thermal losses. • Myristic acid is the most appropriate PCM for this application regarding the daily and night operation. - Abstract: In this paper, we propose a numerical study of an integrated collector storage solar water heater (ICSSWH). Two numerical models in three-dimensional modeling are developed. The first one which describes a sensible heat storage unit (SHSU), allowing validating the numerical model. Based on the good agreement between numerical results and experimental data from literature, and as this type of solar water heater presents the disadvantage of its high night losses, we propose to integrate a phase change material (PCM) directly in the collector and to study its effect on the ICSSWH thermal performance. Indeed, a second 3D CFD model is developed and series of numerical simulations are conducted for two kind (myristic acid and RT42-graphite) and three radiuses (R = 0.2 m, R = 0.25 m and R = 0.3 m) of this PCM layer. Numerical results show that during the day-time, the latent heat storage unit (LHSU) performs better than the sensible one when myristic acid is used as PCM. Regarding the night operating of this solar system, it is found that the LHSU is more effective for both PCMs as it allows lower thermal losses and better heat preservation

Multi-particle phase space integration with arbitrary set of singularities in CompHEP

International Nuclear Information System (INIS)

Kovalenko, D.N.; Pukhov, A.E.

1997-01-01

We describe an algorithm of multi-particle phase space integration for collision and decay processes realized in CompHEP package version 3.2. In the framework of this algorithm it is possible to regularize an arbitrary set of singularities caused by virtual particle propagators. The algorithm is based on the method of the recursive representation of kinematics and on the multichannel Monte Carlo approach. CompHEP package is available by WWW: http://theory.npi.msu.su/pukhov/comphep. html (orig.)

Integrating Pharmacoproteomics into Early-Phase Clinical Development: State-of-the-Art, Challenges, and Recommendations

Directory of Open Access Journals (Sweden)

Savita Nandal

2017-02-01

Full Text Available Pharmacoproteomics is the study of disease-modifying and toxicity parameters associated with therapeutic drug administration, using analysis of quantitative and temporal changes to specific, predetermined, and select proteins, or to the proteome as a whole. Pharmacoproteomics is a rapidly evolving field, with progress in analytic technologies enabling processing of complex interactions of large number of unique proteins and effective use in clinical trials. Nevertheless, our analysis of clinicaltrials.gov and PubMed shows that the application of proteomics in early-phase clinical development is minimal and limited to few therapeutic areas, with oncology predominating. We review the history, technologies, current usage, challenges, and potential for future use, and conclude with recommendations for integration of pharmacoproteomic in early-phase drug development.

Plasma Physics Approximations in Ares

International Nuclear Information System (INIS)

Managan, R. A.

2015-01-01

Lee & More derived analytic forms for the transport properties of a plasma. Many hydro-codes use their formulae for electrical and thermal conductivity. The coefficients are complex functions of Fermi-Dirac integrals, Fn( μ/θ ), the chemical potential, μ or ζ = ln(1+e μ/θ ), and the temperature, θ = kT. Since these formulae are expensive to compute, rational function approximations were fit to them. Approximations are also used to find the chemical potential, either μ or ζ . The fits use ζ as the independent variable instead of μ/θ . New fits are provided for A α (ζ ),A β (ζ ), ζ, f(ζ ) = (1 + e -μ/θ )F 1/2 (μ/θ), F 1/2 '/F 1/2 , F c α , and F c β . In each case the relative error of the fit is minimized since the functions can vary by many orders of magnitude. The new fits are designed to exactly preserve the limiting values in the non-degenerate and highly degenerate limits or as ζ→ 0 or ∞. The original fits due to Lee & More and George Zimmerman are presented for comparison.

Broadband microwave photonic fully tunable filter using a single heterogeneously integrated III-V/SOI-microdisk-based phase shifter.

Science.gov (United States)

Lloret, Juan; Morthier, Geert; Ramos, Francisco; Sales, Salvador; Van Thourhout, Dries; Spuesens, Thijs; Olivier, Nicolas; Fédéli, Jean-Marc; Capmany, José

2012-05-07

A broadband microwave photonic phase shifter based on a single III-V microdisk resonator heterogeneously integrated on and coupled to a nanophotonic silicon-on-insulator waveguide is reported. The phase shift tunability is accomplished by modifying the effective index through carrier injection. A comprehensive semi-analytical model aiming at predicting its behavior is formulated and confirmed by measurements. Quasi-linear and continuously tunable 2π phase shifts at radiofrequencies greater than 18 GHz are experimentally demonstrated. The phase shifter performance is also evaluated when used as a key element in tunable filtering schemes. Distortion-free and wideband filtering responses with a tuning range of ~100% over the free spectral range are obtained.

Canonical path integral measures for Holst and Plebanski gravity: I. Reduced phase space derivation

International Nuclear Information System (INIS)

Engle, Jonathan; Han Muxin; Thiemann, Thomas

2010-01-01

An important aspect in defining a path integral quantum theory is the determination of the correct measure. For interacting theories and theories with constraints, this is non-trivial, and is normally not the heuristic 'Lebesgue measure' usually used. There have been many determinations of a measure for gravity in the literature, but none for the Palatini or Holst formulations of gravity. Furthermore, the relations between different resulting measures for different formulations of gravity are usually not discussed. In this paper we use the reduced phase technique in order to derive the path-integral measure for the Palatini and Holst formulation of gravity, which is different from the Lebesgue measure up to local measure factors which depend on the spacetime volume element and spatial volume element. From this path integral for the Holst formulation of general relativity we can also give a new derivation of the Plebanski path integral and discover a discrepancy with the result due to Buffenoir, Henneaux, Noui and Roche whose origin we resolve. This paper is the first in a series that aims at better understanding the relation between canonical loop quantum gravity and the spin-foam approach.

Integrated electrokinetically driven microfluidic devices with pH-mediated solid-phase extraction coupled to microchip electrophoresis for preterm birth biomarkers.

Science.gov (United States)

Sonker, Mukul; Knob, Radim; Sahore, Vishal; Woolley, Adam T

2017-07-01

Integration in microfluidics is important for achieving automation. Sample preconcentration integrated with separation in a microfluidic setup can have a substantial impact on rapid analysis of low-abundance disease biomarkers. Here, we have developed a microfluidic device that uses pH-mediated solid-phase extraction (SPE) for the enrichment and elution of preterm birth (PTB) biomarkers. Furthermore, this SPE module was integrated with microchip electrophoresis for combined enrichment and separation of multiple analytes, including a PTB peptide biomarker (P1). A reversed-phase octyl methacrylate monolith was polymerized as the SPE medium in polyethylene glycol diacrylate modified cyclic olefin copolymer microfluidic channels. Eluent for pH-mediated SPE of PTB biomarkers on the monolith was optimized using different pH values and ionic concentrations. Nearly 50-fold enrichment was observed in single channel SPE devices for a low nanomolar solution of P1, with great elution time reproducibility (electrophoresis in our integrated device with ∼15-fold enrichment. This device shows important progress towards an integrated electrokinetically operated platform for preconcentration and separation of biomarkers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relativistic quasiparticle time blocking approximation: Dipole response of open-shell nuclei

International Nuclear Information System (INIS)

Litvinova, E.; Ring, P.; Tselyaev, V.

2008-01-01

The self-consistent relativistic quasiparticle random-phase approximation (RQRPA) is extended by the quasiparticle-phonon coupling (QPC) model using the quasiparticle time blocking approximation (QTBA). The method is formulated in terms of the Bethe-Salpeter equation (BSE) in the two-quasiparticle space with an energy-dependent two-quasiparticle residual interaction. This equation is solved either in the basis of Dirac states forming the self-consistent solution of the ground state or in the momentum representation. Pairing correlations are treated within the Bardeen-Cooper-Schrieffer (BCS) model with a monopole-monopole interaction. The same NL3 set of the coupling constants generates the Dirac-Hartree-BCS single-quasiparticle spectrum, the static part of the residual two-quasiparticle interaction and the quasiparticle-phonon coupling amplitudes. A quantitative description of electric dipole excitations in the chain of tin isotopes (Z=50) with the mass numbers A=100,106,114,116,120, and 130 and in the chain of isotones with (N=50) 88 Sr, 90 Zr, 92 Mo is performed within this framework. The RQRPA extended by the coupling to collective vibrations generates spectra with a multitude of 2q x phonon (two quasiparticles plus phonon) states providing a noticeable fragmentation of the giant dipole resonance as well as of the soft dipole mode (pygmy resonance) in the nuclei under investigation. The results obtained for the photo absorption cross sections and for the integrated contributions of the low-lying strength to the calculated dipole spectra agree very well with the available experimental data