Verma, Pragya; Truhlar, Donald G
2017-05-24
Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange-correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn-Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. In this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree-Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39
DEFF Research Database (Denmark)
Dahl, Jens Peder; Varro, S.; Wolf, A.
2007-01-01
We derive explicit expressions for the Wigner function of wave functions in D dimensions which depend on the hyperradius-that is, of s waves. They are based either on the position or the momentum representation of the s wave. The corresponding Wigner function depends on three variables......: the absolute value of the D-dimensional position and momentum vectors and the angle between them. We illustrate these expressions by calculating and discussing the Wigner functions of an elementary s wave and the energy eigenfunction of a free particle....
Can Single-Reference Coupled Cluster Theory Describe Static Correlation?
Bulik, Ireneusz W; Henderson, Thomas M; Scuseria, Gustavo E
2015-07-14
While restricted single-reference coupled cluster theory truncated to singles and doubles (CCSD) provides very accurate results for weakly correlated systems, it usually fails in the presence of static or strong correlation. This failure is generally attributed to the qualitative breakdown of the reference, and can accordingly be corrected by using a multideterminant reference, including higher-body cluster operators in the ansatz, or allowing symmetry breaking in the reference. None of these solutions are ideal; multireference coupled cluster is not black box, including higher-body cluster operators is computationally demanding, and allowing symmetry breaking leads to the loss of good quantum numbers. It has long been recognized that quasidegeneracies can instead be treated by modifying the coupled cluster ansatz. The recently introduced pair coupled cluster doubles (pCCD) approach is one such example which avoids catastrophic failures and accurately models strong correlations in a symmetry-adapted framework. Here, we generalize pCCD to a singlet-paired coupled cluster model (CCD0) intermediate between coupled cluster doubles and pCCD, yielding a method that possesses the invariances of the former and much of the stability of the latter. Moreover, CCD0 retains the full structure of coupled cluster theory, including a fermionic wave function, antisymmetric cluster amplitudes, and well-defined response equations and density matrices.
Gravity induced wave function collapse
Gasbarri, G.; Toroš, M.; Donadi, S.; Bassi, A.
2017-11-01
Starting from an idea of S. L. Adler [in Quantum Nonlocality and Reality: 50 Years of Bell's Theorem, edited by M. Bell and S. Gao (Cambridge University Press, Cambridge, England 2016)], we develop a novel model of gravity induced spontaneous wave function collapse. The collapse is driven by complex stochastic fluctuations of the spacetime metric. After deriving the fundamental equations, we prove the collapse and amplification mechanism, the two most important features of a consistent collapse model. Under reasonable simplifying assumptions, we constrain the strength ξ of the complex metric fluctuations with available experimental data. We show that ξ ≥10-26 in order for the model to guarantee classicality of macro-objects, and at the same time ξ ≤10-20 in order not to contradict experimental evidence. As a comparison, in the recent discovery of gravitational waves in the frequency range 35 to 250 Hz, the (real) metric fluctuations reach a peak of ξ ˜10-21.
Microscopy of electronic wave function
International Nuclear Information System (INIS)
Harb, M.
2010-01-01
This work of thesis aims to visualize, on a position sensitive detector, the spatial oscillations of slow electrons (∼ meV) emitted by a threshold photoionization in the presence of an external electric field. The interference figure obtained represents the square magnitude of electronic wavefunction. This fundamental work allows us to have access to the electronic dynamics and thus to highlight several quantum mechanisms that occur at the atomic scale (field Coulomb, electron/electron interaction..). Despite the presence an electronic core in Li atom, we have succeeded, experimentally and for the first time, in visualizing the wave function associated with the quasi-discrete Stark states coupled to the ionization continuum. Besides, using simulations of wave packet propagation, based on the 'Split-operator' method, we have conducted a comprehensive study of the H, Li and Cs atoms while revealing the significant effects of the Stark resonances. A very good agreement, on and off resonances, was obtained between simulated and experimental results. In addition, we have developed a generalized analytical model to understand deeply the function of VMI (Velocity-Map Imaging) spectrometer. This model is based on the paraxial approximation; it is based on matrix optics calculation by making an analogy between the electronic trajectory and the light beam. An excellent agreement was obtained between the model predictions and the experimental results. (author)
Wave mode identification via wave distribution function analysis
Czech Academy of Sciences Publication Activity Database
Oscarsson, T.; Sternberg, G.; Santolík, Ondřej
2001-01-01
Roč. 26, 6, Part C (2001), s. 229-235 ISSN 1464-1917 R&D Projects: GA ČR GA205/99/1712 Institutional research plan: CEZ:AV0Z3042911 Keywords : auroral magnetosphere * wave propagation * wave distribution function Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 0.399, year: 2001
Wind wave source functions in opposing seas
Langodan, Sabique
2015-08-26
The Red Sea is a challenge for wave modeling because of its unique two opposed wave systems, forced by opposite winds and converging at its center. We investigate the different physical aspects of wave evolution and propagation in the convergence zone. The two opposing wave systems have similar amplitude and frequency, each driven by the action of its own wind. Wave patterns at the centre of the Red Sea, as derived from extensive tests and intercomparison between model and measured data, suggest that the currently available wave model source functions may not properly represent the evolution of the local fields that appear to be characterized by a less effective wind input and an enhanced white-capping. We propose and test a possible simple solution to improve the wave-model simulation under opposing winds and waves condition. This article is protected by copyright. All rights reserved.
A simple and realistic triton wave function
International Nuclear Information System (INIS)
Lomnitz-Adler, J.; Pandharipande, V.R.
1980-01-01
We propose a simple triton wave function that consists of a product of three correlation operators operating on a three-body spin-isospin state. This wave function is formally similar to that used in the recent variational theories of nuclear matter, the main difference being in the long-range behavior of the correlation operators. Variational calculations are carried out with the Reid potential, using this wave function in the so-called 'symmetrized product' and 'independent pair' forms. The triton energy and density distributions obtained with the symmetrized product wave function agree with those obtained in Faddeev and other variational calculations using harmonic oscillator states. The proposed wave function and calculational methods can be easily generalized to treat the four-nucleon α-particle. (orig.)
Relativistic deuteron wave function on light front
International Nuclear Information System (INIS)
Karmanov, V.A.
1980-01-01
In the framework of the one boson exchange model the approximate analytical expression for the deuteron wave function (WF) at relativistic relative momenta is obtained. WF depends on extra variable having the form of a unit vector and is determined by six functions instead of two ones (S-and D-waves) in the nonrelativistic case. At moderate momenta the WF is matched with WF in the Reid model. It is emphasized the importance of indication of the qualitative observed phenomena associated with change of parametrization and spin structure of relativistic deuteron WF
The puzzling entanglement of Schroedinger's wave function
International Nuclear Information System (INIS)
Ghirardi, G.C.; Rimini, A.; Weber, T.
1987-05-01
A brief review of the conceptual difficulties met by the quantum formalism is presented. The main attempts to overcome these difficulties are considered and their limitations are pointed out. A recent proposal based on the assumption of the occurrence of a specific type of wave function collapse is discussed and its consequences for the above-mentioned problems are analyzed. (author). 28 refs
Exact generator coordinate wave functions for some simple Hamiltonians
International Nuclear Information System (INIS)
Ullah, Nazakat
1988-01-01
A Gaussian form of the generator coordinate wave function is used to find the exact weight function for the ground state of H-atom using HWG integral equation. Exact pairs of GC wave functions and weight functions are then constructed for other simple Hamiltonians using a simple integral which converts an exponential into a Gaussian. A discussion as to how a GC wave function can be used as a trial variational wave function is also presented. (author). 10 refs
Relativistic amplitudes in terms of wave functions
International Nuclear Information System (INIS)
Karmanov, V.A.
1978-01-01
In the framework of the invariant diagram technique which arises at the formulation of the fueld theory on the light front the question about conditions at which the relativistic amplitudes may be expressed through the wave functions is investigated. The amplitudes obtained depend on four-vector ω, determining the light front surface. The way is shown to find such values of the four-vector ω, at which the contribution of diagrams not expressed through wave functions is minimal. The investigation carried out is equivalent to the study of the dependence of amplitudes of the old-fashioned perturbation theory in the in the infinite momentum frame on direction of the infinite momentum
Mini wave function for the Universe
International Nuclear Information System (INIS)
Maslanka, K.
1989-01-01
The Friedman radiation filled world model can formally be treated as an oscillator with frequency determined by the cosmological constant and with an external force connected with the space curvature. The wave function for such a universe is constructed. By using Feynman's sum-over-histories method, the initial fundamental indeterminacy in the state of the universe is propagated forward in time. 5 refs. (author)
Meson wave functions in 2-dim QCD
International Nuclear Information System (INIS)
Hildebrandt, S.; Visnjic, V.
1977-07-01
We consider the eigenvalue problem of 't Hooft for the meson spectrum in 2-dim QCD by defining some alternative formulations whose equivalence we prove. Hence we are able to prove that the spectrum is discrete and of finite multiplicity and to derive bounds (upper and lower) for the eigenvalues (ground state, with state and n → infinitely state). We prove that the functions are analytic and use this to carry out explicit numerical calculations of the wave functions for various values of the quark masses and to recalculate the meson spectrum. (orig.) [de
Test of nuclear wave functions for pseudospin symmetry.
Ginocchio, J N; Leviatan, A
2001-08-13
Using the fact that pseudospin is an approximate symmetry of the Dirac Hamiltonian with realistic scalar and vector mean fields, we derive the wave functions of the pseudospin partners of eigenstates of a realistic Dirac Hamiltonian and compare these wave functions with the wave functions of the Dirac eigenstates.
Test of Nuclear Wave Functions for Pseudospin Symmetry
Energy Technology Data Exchange (ETDEWEB)
Ginocchio, J. N.; Leviatan, A.
2001-08-13
Using the fact that pseudospin is an approximate symmetry of the Dirac Hamiltonian with realistic scalar and vector mean fields, we derive the wave functions of the pseudospin partners of eigenstates of a realistic Dirac Hamiltonian and compare these wave functions with the wave functions of the Dirac eigenstates.
Test of Nuclear Wave Functions for Pseudospin Symmetry
International Nuclear Information System (INIS)
Ginocchio, J. N.; Leviatan, A.
2001-01-01
Using the fact that pseudospin is an approximate symmetry of the Dirac Hamiltonian with realistic scalar and vector mean fields, we derive the wave functions of the pseudospin partners of eigenstates of a realistic Dirac Hamiltonian and compare these wave functions with the wave functions of the Dirac eigenstates
Functional evolution of quantum cylindrical waves
International Nuclear Information System (INIS)
Cho, Demian H J; Varadarajan, Madhavan
2006-01-01
Kuchar showed that the quantum dynamics of (one polarization) cylindrical wave solutions to vacuum general relativity is determined by those of a free axially symmetric scalar field along arbitrary axially symmetric foliations of a fixed flat (2 + 1)-dimensional spacetime. We investigate if such a dynamics can be defined unitarily within the standard Fock space quantization of the scalar field. Evolution between two arbitrary slices of an arbitrary foliation of the flat spacetime can be built out of a restricted class of evolutions (and their inverses). The restricted evolution is from an initial flat slice to an arbitrary (in general, curved) slice of the flat spacetime and can be decomposed into (i) 'time' evolution in which the spatial Minkowskian coordinates serve as spatial coordinates on the initial and the final slice, followed by (ii) the action of a spatial diffeomorphism of the final slice on the data obtained from (i). We show that although the functional evolution of (i) is unitarily implemented in the quantum theory, generic spatial diffeomorphisms of (ii) are not. Our results imply that a Tomanaga-Schwinger type functional evolution of quantum cylindrical waves is not a viable concept even though, remarkably, the more limited notion of functional evolution in Kuchar's 'half-parametrized formalism' is well defined
Improved Wave-vessel Transfer Functions by Uncertainty Modelling
DEFF Research Database (Denmark)
Nielsen, Ulrik Dam; Fønss Bach, Kasper; Iseki, Toshio
2016-01-01
This paper deals with uncertainty modelling of wave-vessel transfer functions used to calculate or predict wave-induced responses of a ship in a seaway. Although transfer functions, in theory, can be calculated to exactly reflect the behaviour of the ship when exposed to waves, uncertainty in input...
International Nuclear Information System (INIS)
Malrieu, Jean-Paul
2012-01-01
Lattices of antiferromagnetically coupled spins, ruled by Heisenberg Hamiltonians, are intrinsically highly degenerate systems. The present work tries to estimate the ground state energy of regular bipartite spin lattices of S = 1 sites from a single reference Coupled Cluster expansion starting from a Néel function, taken as reference. The simultaneous changes of spin momentum on adjacent sites play the role of the double excitations in molecular electronic problems. Propagation of the spin changes plays the same role as the triple excitations. The treatment takes care of the deviation of multiple excitation energies from additivity. Specific difficulties appear for 1D chains, which are not due to a near degeneracy between the reference and the vectors which directly interact with it but to the complexity of the processes which lead to the low energy configurations where a consistent reversed-Néel domain is created inside the Néel starting spin wave. Despite these difficulties a reasonable value of the cohesive energy is obtained.
Malrieu, Jean-Paul
2012-06-01
Lattices of antiferromagnetically coupled spins, ruled by Heisenberg Hamiltonians, are intrinsically highly degenerate systems. The present work tries to estimate the ground state energy of regular bipartite spin lattices of S = 1 sites from a single reference Coupled Cluster expansion starting from a Néel function, taken as reference. The simultaneous changes of spin momentum on adjacent sites play the role of the double excitations in molecular electronic problems. Propagation of the spin changes plays the same role as the triple excitations. The treatment takes care of the deviation of multiple excitation energies from additivity. Specific difficulties appear for 1D chains, which are not due to a near degeneracy between the reference and the vectors which directly interact with it but to the complexity of the processes which lead to the low energy configurations where a consistent reversed-Néel domain is created inside the Néel starting spin wave. Despite these difficulties a reasonable value of the cohesive energy is obtained.
Regularity and approximability of electronic wave functions
Yserentant, Harry
2010-01-01
The electronic Schrödinger equation describes the motion of N-electrons under Coulomb interaction forces in a field of clamped nuclei. The solutions of this equation, the electronic wave functions, depend on 3N variables, with three spatial dimensions for each electron. Approximating these solutions is thus inordinately challenging, and it is generally believed that a reduction to simplified models, such as those of the Hartree-Fock method or density functional theory, is the only tenable approach. This book seeks to show readers that this conventional wisdom need not be ironclad: the regularity of the solutions, which increases with the number of electrons, the decay behavior of their mixed derivatives, and the antisymmetry enforced by the Pauli principle contribute properties that allow these functions to be approximated with an order of complexity which comes arbitrarily close to that for a system of one or two electrons. The text is accessible to a mathematical audience at the beginning graduate level as...
Symmetry properties of Laughlin's wave function and related states
Abd Ali, Maher Mahmood; Shrivastava, Keshav N.
2012-09-01
We start with the Laughlin's wave function in the complex two-dimensional plane, z=x+iy, and write it in the spinor representation so that the electrons are arranged according to the group theoretical representation so that it is possible to find the ground state energy for a small number of electrons, N=10. We construct another wave function which is appropriate to the quasiparticles of the quantum Hall effect. (QHE). A projection of the QHE wave function on the Laughlin's wave function with appropriate product over all of the quasiparticles produces a new wave function. In this way, we can generate a series of wave functions. We also explain the experimental data of the QHE in graphite.
Light-front wave function of composite system with spin
International Nuclear Information System (INIS)
Karmanov, V.A.
1979-01-01
The method to construct the relativistic wave function with spin on the light front is developed. The spin structure of the deuteron wave function in relativistic range is found. The calculation methods are illustrated by the calculation of elastic pd-scattering cross section. The consideration carried out is equivalent to the solution of the problem of taking into account the spins and angular momenta in the parton wave functions in the infinite momentum frame
Mathieu functions describing particles evolving in electromagnetic waves
Mihu, Denisa-Andreea; Dariescu, Marina-Aura
2017-12-01
Solutions of Klein-Gordon equation for particles moving in a standing wave configuration bring into attention an intricate and complicated category of special functions, namely the Mathieu functions. The stability of the solutions governed by the intercorrelation between Mathieu equation' parameters is discussed. For specific intervals of the wave number, the instability regime installs, pointing out the tendency of exponential growth for the oscillatory wave functions, as a consequence of parametric resonance phenomenon. The expression of the wave function allows the computation of the four-dimensional conserved current density components.
On quantum mechanical phase-space wave functions
DEFF Research Database (Denmark)
Wlodarz, Joachim J.
1994-01-01
An approach to quantum mechanics based on the notion of a phase-space wave function is proposed within the Weyl-Wigner-Moyal representation. It is shown that the Schrodinger equation for the phase-space wave function is equivalent to the quantum Liouville equation for the Wigner distribution...
Wave-function reconstruction in a graded semiconductor superlattice
DEFF Research Database (Denmark)
Lyssenko, V. G.; Hvam, Jørn Märcher; Meinhold, D.
2004-01-01
We reconstruct a test wave function in a strongly coupled, graded well-width superlattice by resolving the spatial extension of the interband polarisation and deducing the wave function employing non-linear optical spectroscopy. The graded gap superlattice allows us to precisely control the dista...
Evans function computation for the stability of travelling waves
Barker, B.; Humpherys, J.; Lyng, G.; Lytle, J.
2018-04-01
In recent years, the Evans function has become an important tool for the determination of stability of travelling waves. This function, a Wronskian of decaying solutions of the eigenvalue equation, is useful both analytically and computationally for the spectral analysis of the linearized operator about the wave. In particular, Evans-function computation allows one to locate any unstable eigenvalues of the linear operator (if they exist); this allows one to establish spectral stability of a given wave and identify bifurcation points (loss of stability) as model parameters vary. In this paper, we review computational aspects of the Evans function and apply it to multidimensional detonation waves. This article is part of the theme issue `Stability of nonlinear waves and patterns and related topics'.
Special software for computing the special functions of wave catastrophes
Directory of Open Access Journals (Sweden)
Andrey S. Kryukovsky
2015-01-01
Full Text Available The method of ordinary differential equations in the context of calculating the special functions of wave catastrophes is considered. Complementary numerical methods and algorithms are described. The paper shows approaches to accelerate such calculations using capabilities of modern computing systems. Methods for calculating the special functions of wave catastrophes are considered in the framework of parallel computing and distributed systems. The paper covers the development process of special software for calculating of special functions, questions of portability, extensibility and interoperability.
Optimized Perturbation Theory for Wave Functions of Quantum Systems
International Nuclear Information System (INIS)
Hatsuda, T.; Tanaka, T.; Kunihiro, T.
1997-01-01
The notion of the optimized perturbation, which has been successfully applied to energy eigenvalues, is generalized to treat wave functions of quantum systems. The key ingredient is to construct an envelope of a set of perturbative wave functions. This leads to a condition similar to that obtained from the principle of minimal sensitivity. Applications of the method to the quantum anharmonic oscillator and the double well potential show that uniformly valid wave functions with correct asymptotic behavior are obtained in the first-order optimized perturbation even for strong couplings. copyright 1997 The American Physical Society
Conformal invariance and pion wave functions of nonleading twist
International Nuclear Information System (INIS)
Braun, V.M.; Filyanov, I.E.
1989-01-01
The restrictions are studied for the general structure of pion wave functions of twist 3 and twist 4 imposed by the conformal symmetry and the equations of motion. A systematic expansion of wave functions in the conformal spin is built and the first order corrections to asymptotic formulae are calculated by the QCD sum rule method. In particular, we have found a multiplicatively renormalizable contribution into the two-particle wave function of twist 4 which cannot be expanded in a finite set of Gegenbauer polynomials. 19 refs.; 5 figs
Nonstandard jump functions for radically symmetric shock waves
International Nuclear Information System (INIS)
Baty, Roy S.; Tucker, Don H.; Stanescu, Dan
2008-01-01
Nonstandard analysis is applied to derive generalized jump functions for radially symmetric, one-dimensional, magnetogasdynamic shock waves. It is assumed that the shock wave jumps occur on infinitesimal intervals and the jump functions for the physical parameters occur smoothly across these intervals. Locally integrable predistributions of the Heaviside function are used to model the flow variables across a shock wave. The equations of motion expressed in nonconservative form are then applied to derive unambiguous relationships between the jump functions for the physical parameters for two families of self-similar flows. It is shown that the microstructures for these families of radially symmetric, magnetogasdynamic shock waves coincide in a nonstandard sense for a specified density jump function.
Covariance Function for Nearshore Wave Assimilation Systems
2018-01-30
optimization of the assimilation systems has to be driven by the data taking into account the physics of the wave field. Whereas the temporal...known and fairly straightforward, but technically challenging (Bennett, 2002; Menke, 2012). However, determination of the covariances is an open...question with multiple scientific challenges due to the number of possible errors from all the sources (instrument error and error of
Constructing and constraining wave functions for identical quantum particles
Sebens, Charles T.
2016-11-01
I address the problem of explaining why wave functions for identical particles must be either symmetric or antisymmetric (the symmetry dichotomy) within two interpretations of quantum mechanics which include particles following definite trajectories in addition to, or in lieu of, the wave function: Bohmian mechanics and Newtonian quantum mechanics (a.k.a. many interacting worlds). In both cases I argue that, if the interpretation is formulated properly, the symmetry dichotomy can be derived and need not be postulated.
Special software for computing the special functions of wave catastrophes
Andrey S. Kryukovsky; Dmitry S. Lukin; Sergey V. Rogachev
2015-01-01
The method of ordinary differential equations in the context of calculating the special functions of wave catastrophes is considered. Complementary numerical methods and algorithms are described. The paper shows approaches to accelerate such calculations using capabilities of modern computing systems. Methods for calculating the special functions of wave catastrophes are considered in the framework of parallel computing and distributed systems. The paper covers the development process of spec...
Study of two-nucleon wave functions in 3He
International Nuclear Information System (INIS)
Bracco, A.; Gubler, H.P.; Hasell, D.K.
1983-01-01
The reaction 3 He(p,2p)pn has been studied at 250 and 400 MeV in a quasifree scattering arrangement characterized by P(recoil) = 0 and various excitation or total energies E(recoil) of the unobserved p-n pair. The 3 He spectral function deduced in the framework of the plane-wave impulse approximation is compared to the predictions of Faddeev and variational calculations. Comparisons are also made with p-n relative-motion momentum distributions calculated as the overlap between plane waves for the p-n pair and Irving, Irving-Gunn, and Khanna wave functions for 3 He
Approximate scattering wave functions for few-particle continua
International Nuclear Information System (INIS)
Briggs, J.S.
1990-01-01
An operator identity which allows the wave operator for N particles interacting pairwise to be expanded as products of operators in which fewer than N particles interact is given. This identity is used to derive appproximate scattering wave functions for N-particle continua that avoid certain difficulties associated with Faddeev-type expansions. For example, a derivation is given of a scattering wave function used successfully recently to describe the three-particle continuum occurring in the electron impact ionization of the hydrogen atom
Rapidity resummation for B-meson wave functions
Directory of Open Access Journals (Sweden)
Shen Yue-Long
2014-01-01
Full Text Available Transverse-momentum dependent (TMD hadronic wave functions develop light-cone divergences under QCD corrections, which are commonly regularized by the rapidity ζ of gauge vector defining the non-light-like Wilson lines. The yielding rapidity logarithms from infrared enhancement need to be resummed for both hadronic wave functions and short-distance functions, to achieve scheme-independent calculations of physical quantities. We briefly review the recent progress on the rapidity resummation for B-meson wave functions which are the key ingredients of TMD factorization formulae for radiative-leptonic, semi-leptonic and non-leptonic B-meson decays. The crucial observation is that rapidity resummation induces a strong suppression of B-meson wave functions at small light-quark momentum, strengthening the applicability of TMD factorization in exclusive B-meson decays. The phenomenological consequence of rapidity-resummation improved B-meson wave functions is further discussed in the context of B → π transition form factors at large hadronic recoil.
ESTIMA, Neutron Width Level Spacing, Neutron Strength Function of S- Wave, P-Wave Resonances
International Nuclear Information System (INIS)
Fort, E.
1982-01-01
1 - Description of problem or function: ESTIMA calculates level spacing and neutron strength function of a mixed sequence of s- and p-wave resonances given a set of neutron widths as input parameters. Three algorithms are used, two of which calculate s-wave average parameters and assume that the reduced widths obey a Porter-Thomas distribution truncated by a minimum detection threshold. The third performs a maximum likelihood fit to a truncated chi-squared distribution of any specified number of degrees of freedom, i.e. it can be used for calculating s-wave or p-wave average parameters. Resonances of undeclared angular orbital momentum are divided into groups of probable s-wave and probable p-wave by a simple application of Bayes' Theorem. 2 - Method of solution: Three algorithms are used: i) GAMN method, based on simple moments properties of a Porter-Thomas distribution. ii) Missing Level Estimator, a simplified version of the algorithm used by the program BAYESZ. iii) ESTIMA, a maximum likelihood fit. 3 - Restrictions on the complexity of the problem: A maximum of 400 resonances is allowed in the version available from NEADB, however this restriction can be relaxed by increasing array dimensions
Probing hadron wave functions in Lattice QCD
Alexandrou, C; Tsapalis, A; Forcrand, Ph. de
2002-01-01
Gauge-invariant equal-time correlation functions are calculated in lattice QCD within the quenched approximation and with two dynamical quark species. These correlators provide information on the shape and multipole moments of the pion, the rho, the nucleon and the $\\Delta$.
On the interpretation of wave function overlaps in quantum dots
DEFF Research Database (Denmark)
Stobbe, Søren; Hvam, Jørn Märcher; Lodahl, Peter
2011-01-01
The spontaneous emission rate of excitons strongly confined in quantum dots (QDs) is proportional to the overlap integral of electron and hole envelope wave functions. A common and intuitive interpretation of this result is that the spontaneous emission rate is proportional to the probability...... that the electron and the hole are located at the same point or region in space, i.e., they must coincide spatially to recombine. Here, we show that this interpretation is not correct even loosely speaking. By general mathematical considerations we compare the envelope wave function overlap, the exchange overlap...
Embedding beyond electrostatics-The role of wave function confinement.
Nåbo, Lina J; Olsen, Jógvan Magnus Haugaard; Holmgaard List, Nanna; Solanko, Lukasz M; Wüstner, Daniel; Kongsted, Jacob
2016-09-14
We study excited states of cholesterol in solution and show that, in this specific case, solute wave-function confinement is the main effect of the solvent. This is rationalized on the basis of the polarizable density embedding scheme, which in addition to polarizable embedding includes non-electrostatic repulsion that effectively confines the solute wave function to its cavity. We illustrate how the inclusion of non-electrostatic repulsion results in a successful identification of the intense π → π(∗) transition, which was not possible using an embedding method that only includes electrostatics. This underlines the importance of non-electrostatic repulsion in quantum-mechanical embedding-based methods.
WKB wave function for many-variable systems
International Nuclear Information System (INIS)
Sakita, B.; Tzani, R.
1986-01-01
The WKB method is a non-perturbative semi-classical method in quantum mechanics. The method for a system of one degree of freedom is well known and described in standard textbooks. The method for a system with many degrees of freedom especially for quantum fields is more involved. There exist two methods: Feynman path integral and Schrodinger wave function. The Feynman path integral WKB method is essentially a stationary phase approximation for Feynman path integrals. The WKB Schrodinger wave function method is on the other hand an extension of the standard WKB to many-variable systems
The deuteron bound state wave function with tensor forces
International Nuclear Information System (INIS)
Takemasa, Tadashi
1991-01-01
A FORTRAN program named DEUTERON is developed to calculate the binding energy and wave function of a deuteron, when the interaction between two nucleons is described in terms of central, tensor, spin-orbit, and quadratic LS potentials with or without a hard core. An important use of the program is to provide the deuteron wave function required in nuclear reaction calculations involving a deuteron. Also, this program may be employed in nuclear Hartree-Fock calculations using an effective nucleon-nucleon interaction with a tensor component. (author)
Study of two-nucleon wave functions in 3He
International Nuclear Information System (INIS)
Bracco, A.; Gubler, H.P.; Hasell, D.K.
1982-11-01
The 3 He(p,2p)pn reaction has been studied in a quasi-free scattering arrangement characterized by (anti) p(recoil) = 0 and various excitation or total energies E(recoil) of the unobserved p-n pair. Data were obtained at 250 and 400 MeV at symmetric and asymmetric pairs of angles. The 3 He spectral function deduced in the framework of the plane wave impulse approximation is compared to the predictions of Faddeev and variational calculations. Comparisons are also made with p-n relative motion momentum distributions as the overlap between plane waves for the p-n pair and Irving, Irving-Gunn and Khanna wave functions for 3 He
Gravity induced corrections to quantum mechanical wave functions
International Nuclear Information System (INIS)
Singh, T.P.
1990-03-01
We perform a semiclassical expansion in the Wheeler-DeWitt equation, in powers of the gravitational constant. We then show that quantum gravitational fluctuations can provide a correction to the wave-functions which are solutions of the Schroedinger equation for matter. This also implies a correction to the expectation values of quantum mechanical observables. (author). 6 refs
Quantum probability from a geometrical interpretation of a wave function
Sugiyama, K.
1999-01-01
The probabilistic prediction of quantum theory is mystery. I solved the mystery by a geometrical interpretation of a wave function. This suggests the unification between quantum theory and the theory of relativity. This suggests Many-Worlds Interpretation is true, too.
Simulation of wind wave growth with reference source functions
Badulin, Sergei I.; Zakharov, Vladimir E.; Pushkarev, Andrei N.
2013-04-01
We present results of extensive simulations of wind wave growth with the so-called reference source function in the right-hand side of the Hasselmann equation written as follows First, we use Webb's algorithm [8] for calculating the exact nonlinear transfer function Snl. Second, we consider a family of wind input functions in accordance with recent consideration [9] ( )s S = ?(k)N , ?(k) = ? ? ?- f (?). in k 0 ?0 in (2) Function fin(?) describes dependence on angle ?. Parameters in (2) are tunable and determine magnitude (parameters ?0, ?0) and wave growth rate s [9]. Exponent s plays a key role in this study being responsible for reference scenarios of wave growth: s = 4-3 gives linear growth of wave momentum, s = 2 - linear growth of wave energy and s = 8-3 - constant rate of wave action growth. Note, the values are close to ones of conventional parameterizations of wave growth rates (e.g. s = 1 for [7] and s = 2 for [5]). Dissipation function Sdiss is chosen as one providing the Phillips spectrum E(?) ~ ?5 at high frequency range [3] (parameter ?diss fixes a dissipation scale of wind waves) Sdiss = Cdissμ4w?N (k)θ(? - ?diss) (3) Here frequency-dependent wave steepness μ2w = E(?,?)?5-g2 makes this function to be heavily nonlinear and provides a remarkable property of stationary solutions at high frequencies: the dissipation coefficient Cdiss should keep certain value to provide the observed power-law tails close to the Phillips spectrum E(?) ~ ?-5. Our recent estimates [3] give Cdiss ? 2.0. The Hasselmann equation (1) with the new functions Sin, Sdiss (2,3) has a family of self-similar solutions of the same form as previously studied models [1,3,9] and proposes a solid basis for further theoretical and numerical study of wave evolution under action of all the physical mechanisms: wind input, wave dissipation and nonlinear transfer. Simulations of duration- and fetch-limited wind wave growth have been carried out within the above model setup to check its
Linear density response function in the projector augmented wave method
DEFF Research Database (Denmark)
Yan, Jun; Mortensen, Jens Jørgen; Jacobsen, Karsten Wedel
2011-01-01
We present an implementation of the linear density response function within the projector-augmented wave method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response function is represented in plane waves while the single...... functions of Si, C, SiC, AlP, and GaAs compare well with previous calculations. While optical properties of semiconductors, in particular excitonic effects, are generally not well described by ALDA, we obtain excellent agreement with experiments for the surface loss function of graphene and the Mg(0001......) surface with plasmon energies deviating by less than 0.2 eV. Finally, the method is applied to study the influence of substrates on the plasmon excitations in graphene....
Classical representation of wave functions for integrable systems
International Nuclear Information System (INIS)
Kay, Kenneth G.
2004-01-01
Classical exact (CE) wave functions are certain integral representations of energy eigenfunctions that are parameterized in terms of the motion of the corresponding classical system in a semiclassically relevant way. When applied to systems for which they are not exact, such expressions serve as semiclassical approximations. Previous work identified CE wave functions for a number of specific systems and established their semiclassical usefulness. This paper explores the degree to which such representations can be found for more general systems. It is shown that CE wave functions exist, in principle, for bound states of an arbitrary integrable system that are confined to a single classically allowed region. Evidence is presented that CE representations also exist for more general states of such a system that are unbound, or that extend over more than one allowed region. The CE expressions are not unique: an innumerable variety exists for each such system. The existence proof provides a formal method for constructing CE expressions by Fourier transforming certain superpositions of energy eigenstates. The parameterization in terms of the classical motion is achieved by identifying certain quantities in these superpositions as classical action and angle variables. The semiclassical relevance of this identification is ensured by imposing some mild conditions on the coefficients in the superposition. This procedure for parameterizing exact wave functions in terms of classical variables indicates a basic relationship between the quantum and classical descriptions of states. The method of constructing CE wave functions introduced in the proof is shown to be consistent with a number of previously obtained CE formulas and is used to derive two new, closed-form, CE expressions. A simple numerical example is presented to illustrate the semiclassical application of one of these expressions and to further verify the physical significance of the classical parameterization
Horizon wave-function and the quantum cosmic censorship
Directory of Open Access Journals (Sweden)
Roberto Casadio
2015-07-01
Full Text Available We investigate the Cosmic Censorship Conjecture by means of the horizon wave-function (HWF formalism. We consider a charged massive particle whose quantum mechanical state is represented by a spherically symmetric Gaussian wave-function, and restrict our attention to the superextremal case (with charge-to-mass ratio α>1, which is the prototype of a naked singularity in the classical theory. We find that one can still obtain a normalisable HWF for α22, and the uncertainty in the location of the horizon blows up at α2=2, signalling that such an object is no more well-defined. This perhaps implies that a quantum Cosmic Censorship might be conjectured by stating that no black holes with charge-to-mass ratio greater than a critical value (of the order of 2 can exist.
Expression of relativistic amplitudes in terms of wave functions
International Nuclear Information System (INIS)
Karmanov, V.A.
1978-01-01
The conditions under which relativistic amplitudes may be expressed in terms of the wave functions are analyzed within the framework of the invariant diagram technique which appears on formulation of field theory on the light front. The amplitudes depend on the 4-vector ω which defines the surface of the light front. A rule is formulated for the determination of those values of the 4-vector ω for which the diagram contribution, which cannot be expressed in terms of the wave functions, is minimum. The present investigation is equivalent to a study of the dependence of the amplitudes of the old fashioned perburbation theory in the infinite momentum depending on the direction of the infinite momentum
Configuration interaction wave functions: A seniority number approach
Energy Technology Data Exchange (ETDEWEB)
Alcoba, Diego R. [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, E-48080 Bilbao (Spain); Massaccesi, Gustavo E. [Departamento de Ciencias Exactas, Ciclo Básico Común, Universidad de Buenos Aires, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina)
2014-06-21
This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of any spin symmetry within this treatment. Correlation energies associated with the wave functions arising from the seniority-based configuration interaction procedure are determined for three types of molecular orbital basis: canonical molecular orbitals, natural orbitals, and the orbitals resulting from minimizing the expectation value of the N-electron seniority number operator. The performance of these bases is analyzed by means of numerical results obtained from selected N-electron systems of several spin symmetries. The comparison of the results highlights the efficiency of the molecular orbital basis which minimizes the mean value of the seniority number for a state, yielding energy values closer to those provided by the full configuration interaction procedure.
Configuration interaction wave functions: A seniority number approach
International Nuclear Information System (INIS)
Alcoba, Diego R.; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Oña, Ofelia B.
2014-01-01
This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of any spin symmetry within this treatment. Correlation energies associated with the wave functions arising from the seniority-based configuration interaction procedure are determined for three types of molecular orbital basis: canonical molecular orbitals, natural orbitals, and the orbitals resulting from minimizing the expectation value of the N-electron seniority number operator. The performance of these bases is analyzed by means of numerical results obtained from selected N-electron systems of several spin symmetries. The comparison of the results highlights the efficiency of the molecular orbital basis which minimizes the mean value of the seniority number for a state, yielding energy values closer to those provided by the full configuration interaction procedure
Sum rules for baryonic vertex functions and the proton wave function in QCD
International Nuclear Information System (INIS)
Lavelle, M.J.
1985-01-01
We consider light-cone sum rules for vertex functions involving baryon-meson couplings. These sum rules relate the non-perturbative, and experimentally known, coupling constants to the moments of the wave function of the proton state. Our results for these moments are consistent with those obtained from QCD sum rules for two-point functions. (orig.)
Nucleon wave functions from lattice-gauge theories
International Nuclear Information System (INIS)
Bowler, K.C.; Daniel, D.; Kieu, T.D.; Richards, D.G.; Scott, C.J.
1988-01-01
We present measurements of the matrix elements of certain 3-quark operators that gover the short-distance and light-cone properties of the proton wave function obtained on an 8 3 x16 lattice at β = 5.7 with Wilson fermions. Using these measurements we find the proton lifetime in the minimal SU(5) grand unified theory to be incompatible with the current experimental limits, in accord with another recent lattice calculation. (orig.)
Search for a bosonic component in the neutrino wave function
International Nuclear Information System (INIS)
Tornow, W.
2010-01-01
Recently, Dolgov and Smirnov speculated that neutrinos may not obey the principle named after their inventor, the Pauli Principle. The neutrino wave function may contain a bosonic component. In principle, two-neutrino double-beta (2ν2β) decay data could be used to check on the conjecture that neutrinos violate the Pauli Principle. Recent 2ν2β data on 100 Mo to both the ground state and excited states in 100 Ru will be used to illustrate the procedure.
Inverse Schroedinger equation and the exact wave function
International Nuclear Information System (INIS)
Nakatsuji, Hiroshi
2002-01-01
Using the inverse of the Hamiltonian, we introduce the inverse Schroedinger equation (ISE) that is equivalent to the ordinary Schroedinger equation (SE). The ISE has the variational principle and the H-square group of equations as the SE has. When we use a positive Hamiltonian, shifting the energy origin, the inverse energy becomes monotonic and we further have the inverse Ritz variational principle and cross-H-square equations. The concepts of the SE and the ISE are combined to generalize the theory for calculating the exact wave function that is a common eigenfunction of the SE and ISE. The Krylov sequence is extended to include the inverse Hamiltonian, and the complete Krylov sequence is introduced. The iterative configuration interaction (ICI) theory is generalized to cover both the SE and ISE concepts and four different computational methods of calculating the exact wave function are presented in both analytical and matrix representations. The exact wave-function theory based on the inverse Hamiltonian can be applied to systems that have singularities in the Hamiltonian. The generalized ICI theory is applied to the hydrogen atom, giving the exact solution without any singularity problem
BAYESZ, S-Wave, P-Wave Resonance Level Spacing and Strength Functions
International Nuclear Information System (INIS)
Moore, M.S.
1982-01-01
A - Description of problem or function: BAYESZ calculates average s- and p-wave level spacings, strength functions, and average radiation widths of a mixed sequence of s- and p-wave resonances whose parameters are supplied as input. The code is based on two physical assumptions: 1) The neutron reduced width distribution for each open channel is a chi-squared distribution with one degree of freedom, i.e. Porter-Thomas. 2) The spacing distribution follows the Gaussian Orthogonal Ensemble. This property is used, however, only to fix the s- to p-wave level density ratio as proportional to (2J+1) with a spin cut-off correction. B - Method of solution: The method used is an extension of that described by Moore et al. in reference (1), and is based on the method of moments of a truncated Porter-Thomas distribution. C - Restrictions on the complexity of the problem: Parameters for a maximum of 500 individual resonances can be specified. This restriction can be relaxed by increasing array dimensions
Computational aspects of the continuum quaternionic wave functions for hydrogen
Energy Technology Data Exchange (ETDEWEB)
Morais, J., E-mail: joao.pedro.morais@ua.pt
2014-10-15
Over the past few years considerable attention has been given to the role played by the Hydrogen Continuum Wave Functions (HCWFs) in quantum theory. The HCWFs arise via the method of separation of variables for the time-independent Schrödinger equation in spherical coordinates. The HCWFs are composed of products of a radial part involving associated Laguerre polynomials multiplied by exponential factors and an angular part that is the spherical harmonics. In the present paper we introduce the continuum wave functions for hydrogen within quaternionic analysis ((R)QHCWFs), a result which is not available in the existing literature. In particular, the underlying functions are of three real variables and take on either values in the reduced and full quaternions (identified, respectively, with R{sup 3} and R{sup 4}). We prove that the (R)QHCWFs are orthonormal to one another. The representation of these functions in terms of the HCWFs are explicitly given, from which several recurrence formulae for fast computer implementations can be derived. A summary of fundamental properties and further computation of the hydrogen-like atom transforms of the (R)QHCWFs are also discussed. We address all the above and explore some basic facts of the arising quaternionic function theory. As an application, we provide the reader with plot simulations that demonstrate the effectiveness of our approach. (R)QHCWFs are new in the literature and have some consequences that are now under investigation.
Li, Yong; Fang, Hui; Min, Changjun; Yuan, Xiaocong
2015-10-01
Under the usual approximation of treating a biological particle as a spheroidal droplet, we consider the analysis of its size and shape with the high frequency photoacoustics and develop a numerical method which can simulate its characteristic photoacoustic waves. This numerical method is based on the calculation of spheroidal wave functions, and when comparing to the finite element model (FEM) calculation, can reveal more physical information and can provide results independently at each spatial points. As the demonstration, red blood cells (RBCs) and MCF7 cell nuclei are studied, and their photoacoustic responses including field distribution, spectral amplitude, and pulse forming are calculated. We expect that integrating this numerical method with the high frequency photoacoustic measurement will form a new modality being extra to the light scattering method, for fast assessing the morphology of a biological particle.
Love wave propagation in functionally graded piezoelectric material layer.
Du, Jianke; Jin, Xiaoying; Wang, Ji; Xian, Kai
2007-03-01
An exact approach is used to investigate Love waves in functionally graded piezoelectric material (FGPM) layer bonded to a semi-infinite homogeneous solid. The piezoelectric material is polarized in z-axis direction and the material properties change gradually with the thickness of the layer. We here assume that all material properties of the piezoelectric layer have the same exponential function distribution along the x-axis direction. The analytical solutions of dispersion relations are obtained for electrically open or short circuit conditions. The effects of the gradient variation of material constants on the phase velocity, the group velocity, and the coupled electromechanical factor are discussed in detail. The displacement, electric potential, and stress distributions along thickness of the graded layer are calculated and plotted. Numerical examples indicate that appropriate gradient distributing of the material properties make Love waves to propagate along the surface of the piezoelectric layer, or a bigger electromechanical coupling factor can be obtained, which is in favor of acquiring a better performance in surface acoustic wave (SAW) devices.
Measurement and structure of spiral wave response functions
Dierckx, Hans; Verschelde, Henri; Panfilov, Alexander V.
2017-09-01
The rotating spiral waves that emerge in diverse natural and man-made systems typically exhibit a particle-like behaviour since their adjoint critical eigenmodes (response functions) are often seen to be localised around the spiral core. We present a simple method to numerically compute response functions for circular-core and meandering spirals by recording their drift response to many elementary perturbations. Although our method is computationally more expensive than solving the adjoint system, our technique is fully parallellisable, does not suffer from memory limitations and can be applied to experiments. For a cardiac tissue model with the linear spiral core, we find that the response functions are localised near the turning points of the trajectory.
Chameleon fields, wave function collapse and quantum gravity
International Nuclear Information System (INIS)
Zanzi, A
2015-01-01
Chameleon fields are quantum (usually scalar) fields, with a density-dependent mass. In a high-density environment, the mass of the chameleon is large. On the contrary, in a small-density environment (e.g. on cosmological distances), the chameleon is very light. A model where the collapse of the wave function is induced by chameleon fields is presented. During this analysis, a Chameleonic Equivalence Principle (CEP) will be formulated: in this model, quantum gravitation is equivalent to a conformal anomaly. Further research efforts are necessary to verify whether this proposal is compatible with phenomeno logical constraints. (paper)
Insights Into Caribbean Lithospheric Structure From S Wave Receiver Functions
Landes, M.; Pavlis, G. L.
2007-12-01
BOLIVAR (Broadband Ocean-Land Investigation of Venezuela and the Antilles arc Region) was aimed at investigating the interplay between the lithospheric and asthenospheric mantle of the Caribbean and the South America plates. The oblique collision of the Caribbean plate migrating eastwards has created a complicated deformation zone with strike-slip, compressional and extensional structures along the Caribbean and South America boundary. Earlier results with P receiver functions revealed strong variations in crustal thickness ranging from 15 km beneath the Caribbean Sea to 55 km beneath Venezuela. However, one of the fundamental questions not yet resolved concerns the thickness of the lithosphere in this region. Using the S wave receiver function technique, we analyzed seismograms from some 100 events at epicentral distances of 55-125 degree. The seismograms were rotated and deconvolved to isolate S-to-P conversions from the incident S wave. These were subsequently stacked after their respective conversion points and mapped into the subsurface. A strong negative phase is associated with the S-to-P conversion from the base of the lithosphere. Analysis of these data is ongoing, but we expect to see large variation in lithospheric thickness as the BOLIVAR array spans the transition from the Caribbean with OBS stations to the interior of South America (Guyana Shield).
The "JK-only" approximation in density matrix functional and wave function theory.
Kollmar, Christian
2004-12-15
Various energy functionals applying the "JK-only" approximation which leads to two-index two-electron integrals instead of four-index two-electron integrals in the electron-electron interaction term of the electronic energy are presented. Numerical results of multiconfiguration self-consistent field calculations for the best possible "JK-only" wave function are compared to those obtained from the pair excitation multiconfiguration self-consistent (PEMCSCF) method and two versions of density matrix functional theory. One of these is derived making explicit use of some necessary conditions for N representability of the second-order density matrix. It is shown that this method models the energy functional based on the best possible "JK-only" wave function with good accuracy. The calculations also indicate that only a minor fraction of the total correlation energy is incorporated by "JK-only" approaches for larger molecules. (c) 2004 American Institute of Physics
The wave function behavior of the open topological string partition function on the conifold
International Nuclear Information System (INIS)
Kashani-Poor, Amir-Kian
2007-01-01
We calculate the topological string partition function to all genus on the conifold, in the presence of branes. We demonstrate that the partition functions for different brane backgrounds (smoothly connected along a quantum corrected moduli space) can be interpreted as the same wave function in different polarizations. This behavior has a natural interpretation in the Chern-Simons target space description of the topological theory. Our detailed analysis however indicates that non-perturbatively, a modification of real Chern-Simons theory is required to capture the correct target space theory of the topological string. We perform our calculations in the framework of a free fermion representation of the open topological string, demonstrating that this framework extends beyond the simple C 3 geometry. The notion of a fermionic brane creation operator arises in this setting, and we study to what extent the wave function properties of the partition function can be extended to this operator
Colombian ocean waves and coasts modeled by special functions
Duque Tisnés, Simón
2013-06-01
Modeling the ocean bottom and surface of both Atlantic and Pacific Oceans near the Colombian coast is a subject of increasing attention due to the possibility of finding oil deposits that haven't been discovered, and as a way of monitoring the ocean limits of Colombia with other countries not only covering the possibility of naval intrusion but as a chance to detect submarine devices that are used by illegal groups for different unwished purposes. In the development of this topic it would be necessary to use Standard Hydrodynamic Equations to model the mathematical shape of ocean waves that will take differential equations forms. Those differential equations will be solved using computer algebra software and methods. The mentioned solutions will involve the use of Special Functions such as Bessel Functions, Whittaker, Heun, and so on. Using the Special Functions mentioned above, the obtained results will be simulated by numerical methods obtaining the typical patterns around the Colombian coasts (both surface and bottom). Using this simulation as a non-perturbed state, any change in the patter could be taken as an external perturbation caused by a strange body or device in an specific area or region modeled, building this simulation as an ocean radar or an unusual object finder. It's worth mentioning that the use of stronger or more rigorous methods and more advanced Special Functions would generate better theoretical results, building a more accurate simulation model that would lead to a finest detection.
The wave function essays on the metaphysics of quantum mechanics
Albert, David Z
2013-01-01
This is a new volume of original essays on the metaphysics of quantum mechanics. The essays address questions such as: What fundamental metaphysics is best motivated by quantum mechanics? What is the ontological status of the wave function? Does quantum mechanics support the existence of any other fundamental entities, e.g. particles? What is the nature of the fundamental space (or space-time manifold) of quantum mechanics? What is the relationship between the fundamental ontology of quantum mechanics and ordinary, macroscopic objects like tables, chairs, and persons? This collection includes a comprehensive introduction with a history of quantum mechanics and the debate over its metaphysical interpretation focusing especially on the main realist alternatives.
Electron Correlation from the Adiabatic Connection for Multireference Wave Functions
Pernal, Katarzyna
2018-01-01
An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.
Comparative study on spreading function for directional wave spectra
Digital Repository Service at National Institute of Oceanography (India)
Bhat, S.S.; Anand, N.M.; Nayak, B.U.
The planning and design of all coastal and offshore installations call for an information on wave directionality. This can be accurately obtained through the knowledge of the directional wave spectrum which is commonly given as a product of one...
Bohmian Conditional Wave Functions (and the status of the quantum state)
International Nuclear Information System (INIS)
Norsen, Travis
2016-01-01
The de Broglie - Bohm pilot-wave theory - uniquely among realistic candidate quantum theories - allows a straightforward and simple definition of the wave function of a subsystem of some larger system (such as the entire universe). Such sub-system wave functions are called “Conditional Wave Functions” (CWFs). Here we explain this concept and indicate the CWF's role in the Bohmian explanation of the usual quantum formalism, and then develop (and motivate) the more speculative idea that something like single-particle wave functions could replace the (ontologically problematical) universal wave function in some future, empirically adequate, pilot-wave-type theory. Throughout the presentation is pedagogical and points are illustrated with simple toy models. (paper)
Directory of Open Access Journals (Sweden)
Hua Yang
2015-07-01
Full Text Available Objective: To establish a rapid, accurate and reliable analytical method for the simultaneous determination of four major anthraquinones in Polygoni Multiflori Radix (PMR using single reference standard.
Energy Technology Data Exchange (ETDEWEB)
Ritboon, Atirach, E-mail: atirach.3.14@gmail.com [School of Physics and Astronomy, University of Glasgow, Glasgow, G12 8QQ (United Kingdom); Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112 (Thailand); Daengngam, Chalongrat, E-mail: chalongrat.d@psu.ac.th [Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112 (Thailand); Pengpan, Teparksorn, E-mail: teparksorn.p@psu.ac.th [Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112 (Thailand)
2016-08-15
Biakynicki-Birula introduced a photon wave function similar to the matter wave function that satisfies the Schrödinger equation. Its second quantization form can be applied to investigate nonlinear optics at nearly full quantum level. In this paper, we applied the photon wave function formalism to analyze both linear optical processes in the well-known Mach–Zehnder interferometer and nonlinear optical processes for sum-frequency generation in dispersive and lossless medium. Results by photon wave function formalism agree with the well-established Maxwell treatments and existing experimental verifications.
Wapenaar, Kees
2017-06-01
A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.
Relativistic form factors for clusters with nonrelativistic wave functions
International Nuclear Information System (INIS)
Mitra, A.N.; Kumari, I.
1977-01-01
Using a simple variant of an argument employed by Licht and Pagnamenta (LP) on the effect of Lorentz contraction on the elastic form factors of clusters with nonrelativistic wave functions, it is shown how their result can be generalized to inelastic form factors so as to produce (i) a symmetrical appearance of Lorentz contraction effects in the initial and final states, and (ii) asymptotic behavior in accord with dimensional scaling theories. A comparison of this result with a closely analogous parametric form obtained by Brodsky and Chertok from a propagator chain model leads, with plausible arguments, to the conclusion of an effective mass M for the cluster, with M 2 varying as the number n of the quark constituents, instead of as n 2 . A further generalization of the LP formula is obtained for an arbitrary duality-diagram vertex, again with asymptotic behavior in conformity with dimensional scaling. The practical usefulness of this approach is emphasized as a complementary tool to those of high-energy physics for phenomenological fits to data up to moderate values of q 2
Dynamical dissociation of quarkonia by wave function decoherence
Kajimoto, Shiori; Akamatsu, Yukinao; Asakawa, Masayuki; Rothkopf, Alexander
2018-01-01
We investigate the real-time evolution of quarkonium bound states in a quark-gluon plasma in one dimension using an improved QCD-based stochastic potential model. This model describes the quarkonium dynamics in terms of a Schrödinger equation with an in-medium potential and two noise terms encoding the residual interactions between the heavy quarks and the medium. The probabilities of bound states in a static medium and in a boost-invariantly expanding quark-gluon plasma are discussed. We draw two conclusions from our results: One is that the outcome of the stochastic potential model is qualitatively consistent with the experimental data in relativistic heavy-ion collisions. The other is that the noise plays an important role in order to describe quarkonium dynamics in medium; in particular, it causes decoherence of the quarkonium wave function. The effectiveness of decoherence is controlled by a new length scale lcorr. It represents the noise correlation length and its effect has not been included in existing phenomenological studies.
Shock Wave Propagation in Functionally Graded Mineralized Tissue
Nelms, Matthew; Hodo, Wayne; Livi, Ken; Browning, Alyssa; Crawford, Bryan; Rajendran, A. M.
2017-06-01
In this investigation, the effects of shock wave propagation in bone-like biomineralized tissue was investigated. The Alligator gar (Atractosteus spatula) exoskeleton is comprised of many disparate scales that provide a biological analog for potential design of flexible protective material systems. The gar scale is identified as a two-phase, (1) hydroxyapatite mineral and (2) collagen protein, biological composite with two distinct layers where a stiff, ceramic-like ganoine overlays a soft, highly ductile ganoid bone. Previous experimentations has shown significant softening under compressive loading and an asymmetrical stress-strain response for analogous mineralized tissues. The structural features, porosity, and elastic modulus were determined from high-resolution scanning electron microscopy, 3D micro-tomography, and dynamic nanoindentation experiments to develop an idealized computational model for FE simulations. The numerical analysis employed Gurson's yield criterion to determine the influence of porosity and pressure on material strength. Functional gradation of elastic moduli and certain structural features, such as the sawtooth interface, are explicitly modeled to study the plate impact shock profile for a full 3-D analysis using ABAQUS finite element software.
Newton force from wave function collapse: speculation and test
International Nuclear Information System (INIS)
Diósi, Lajos
2014-01-01
The Diosi-Penrose model of quantum-classical boundary postulates gravity-related spontaneous wave function collapse of massive degrees of freedom. The decoherence effects of the collapses are in principle detectable if not masked by the overwhelming environmental decoherence. But the DP (or any other, like GRW, CSL) spontaneous collapses are not detectable themselves, they are merely the redundant formalism of spontaneous decoherence. To let DP collapses become testable physics, recently we extended the DP model and proposed that DP collapses are responsible for the emergence of the Newton gravitational force between massive objects. We identified the collapse rate, possibly of the order of 1/ms, with the rate of emergence of the Newton force. A simple heuristic emergence (delay) time was added to the Newton law of gravity. This non-relativistic delay is in peaceful coexistence with Einstein's relativistic theory of gravitation, at least no experimental evidence has so far surfaced against it. We derive new predictions of such a 'lazy' Newton law that will enable decisive laboratory tests with available technologies. The simple equation of 'lazy' Newton law deserves theoretical and experimental studies in itself, independently of the underlying quantum foundational considerations.
National Research Council Canada - National Science Library
Julia, Jordi; Ammon, Charles J; Herrimann, Robert B
2006-01-01
.... Receiver functions are primarily sensitive to shear-wave velocity contrasts and vertical travel times and surface-wave dispersion measurements are sensitive to vertical shear-wave velocity averages...
National Research Council Canada - National Science Library
Herrmann, Robert B; Julia, Jordi; Ammon, Charles J
2007-01-01
.... Receiver functions are primarily sensitive to shear-wave velocity contrast and vertical travel times and surface-wave dispersion measurements are sensitive to vertical shear-wave velocity averages...
Trapping mechanism for long waves over circular islands with power function profiles
Zheng, Jinhai; Fu, Danjuan; Wang, Gang
2017-08-01
Long waves such as tsunamis can be trapped by islands due to wave refraction, and these trapped waves will cause huge damage even in the sheltered shoreline of the island. That all waves propagating into the topography and finally reaching the coastline are called perfect trapped modes, while any waves escaping from the topography are called leaky modes. Whether these long waves can be trapped is dependent on the depth profile of the island. This paper presents analytic solutions of the ray path for waves propagating into the circular island with power function profiles. Wave height distributions over the island are further investigated based on the principia that crowded rays correspond to large wave height and sparse rays correspond to small wave height. The trapped mechanism for water waves over the island is revealed based on their ray paths. Furthermore, the perfectly trapped criterion is derived, that is, when the slope gradient at the topography toe is greater than twice the ratio of the water depth to the radial distances, all wave rays propagating on the island will finally reach the coastline, and the waves are perfectly trapped.
Ab initio calculation atomics ground state wave function for interactions Ion- Atom
International Nuclear Information System (INIS)
Shojaee, F.; Bolori zadeh, M. A.
2007-01-01
Ab initio calculation atomics ground state wave function for interactions Ion- Atom Atomic wave function expressed in a Slater - type basis obtained within Roothaan- Hartree - Fock for the ground state of the atoms He through B. The total energy is given for each atom.
Exact density functional and wave function embedding schemes based on orbital localization
International Nuclear Information System (INIS)
Hégely, Bence; Nagy, Péter R.; Kállay, Mihály; Ferenczy, György G.
2016-01-01
Exact schemes for the embedding of density functional theory (DFT) and wave function theory (WFT) methods into lower-level DFT or WFT approaches are introduced utilizing orbital localization. First, a simple modification of the projector-based embedding scheme of Manby and co-workers [J. Chem. Phys. 140, 18A507 (2014)] is proposed. We also use localized orbitals to partition the system, but instead of augmenting the Fock operator with a somewhat arbitrary level-shift projector we solve the Huzinaga-equation, which strictly enforces the Pauli exclusion principle. Second, the embedding of WFT methods in local correlation approaches is studied. Since the latter methods split up the system into local domains, very simple embedding theories can be defined if the domains of the active subsystem and the environment are treated at a different level. The considered embedding schemes are benchmarked for reaction energies and compared to quantum mechanics (QM)/molecular mechanics (MM) and vacuum embedding. We conclude that for DFT-in-DFT embedding, the Huzinaga-equation-based scheme is more efficient than the other approaches, but QM/MM or even simple vacuum embedding is still competitive in particular cases. Concerning the embedding of wave function methods, the clear winner is the embedding of WFT into low-level local correlation approaches, and WFT-in-DFT embedding can only be more advantageous if a non-hybrid density functional is employed.
Directory of Open Access Journals (Sweden)
L. Sun
2007-10-01
Full Text Available In order to study the filter effect of the background winds on the propagation of gravity waves, a three-dimensional transfer function model is developed on the basis of the complex dispersion relation of internal gravity waves in a stratified dissipative atmosphere with background winds. Our model has successfully represented the main results of the ray tracing method, e.g. the trend of the gravity waves to travel in the anti-windward direction. Furthermore, some interesting characteristics are manifest as follows: (1 The method provides the distribution characteristic of whole wave fields which propagate in the way of the distorted concentric circles at the same altitude under the control of the winds. (2 Through analyzing the frequency and wave number response curve of the transfer function, we find that the gravity waves in a wave band of about 15–30 min periods and of about 200–400 km horizontal wave lengths are most likely to propagate to the 300-km ionospheric height. Furthermore, there is an obvious frequency deviation for gravity waves propagating with winds in the frequency domain. The maximum power of the transfer function with background winds is smaller than that without background winds. (3 The atmospheric winds may act as a directional filter that will permit gravity wave packets propagating against the winds to reach the ionospheric height with minimum energy loss.
Explicitly-Correlated Electronic-Structure Methods for Single-Reference and Multi-Reference Systems
Valeev, Edward
2010-03-01
Predictive computation of energy differences and properties related to them (equilibrium constants, reaction rates, rovibrational spectra) demand convergent series of high-level wave function models in combination with specially-designed basis set sequences. Unfortunately, the use of practical basis sets results in unacceptably-large basis set errors. For example, the mean absolute and maximum basis set error of heats of formations of small closed and open-shell molecules in the HEAT testset are 9.1 and 25.2 kJ/mol when using the correlation-consistent triple-zeta basis set. Reliable predictions of chemical accuracy (defined as 1 kcal/mol = 4.2 kJ/mol) clearly requires more extensive basis sets and computational costs increased by orders of magnitude. The cause of the large basis set errors is fundamental: the qualitatively incorrect behavior of the standard wave functions when electrons approach each other closely. Although carefully designed basis set sequences allow to reduce the basis set error of molecular energies by empirical extrapolation, such approaches are often not reliable and cannot be easily extended to properties. Explicitly correlated R12 wave function methods account for the basis set challenge from first principles. In R12 methods the two-electron basis includes products f(rij) |ij >, where f(rij) is a function of an interelectronic distance that models the short-range correlation of the electrons. The many-electron integrals that appear in explicitly correlated methods are simplified by systematic approximations based on the resolution of the identity (RI). At the MP2 level the use of R12 approach allows to reduce the basis set error by an order of magnitude, with a disproportionately-small increase in computational cost. I will first discuss our recent progress in extension of R12 approach to the highly-accurate coupled-cluster (CC) methods for ground and excited states. The rigorous R12 extension of the CC method is formally straightforward
Hadron-quark vertex function. Interconnection between 3D and 4D wave function
International Nuclear Information System (INIS)
Mitra, A.N.; Bhatnagar, S.
1990-01-01
Interconnection between 3D and 4D forms of Bethe-Salpeter equation (EBS) with a kernel depending on relative momenta is used to derive hadron-quark vertex function in Lorentz invariance form. The vertex function which is directly related to a 4D wave function satisfying a corresponding EBS determines the natural continuation outside mass surface for the entire momentum space and serves the basis for computing amplitudes of transitions through appropriate loop quark diagrams. Two applications (f p values for P→ll-bar and F π for n 0 +yy) are discussed briefly to illustrate this formalism. An attention is paid to the problem of complex amplitudes for quark loops with a larger number of external hadrons.A possible solution of the problem is proposed. 29 refs
Longitudinal wave function control in single quantum dots with an applied magnetic field.
Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai
2015-01-27
Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots.
Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.
Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng
2016-12-15
A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.
A Direct Calculation of First-Order Wave Function of Helium
International Nuclear Information System (INIS)
Ndinya, Boniface Otieno; Omolo, Joseph Akeyo
2010-01-01
We develop a simple analytic calculation for the first order wave function of helium in a model in which nuclear charge screening is caused by repulsive coulomb interaction. The perturbation term, first-order correlation energy, and first-order wave function are divided into two components, one component associated with the repulsive coulomb interaction and the other proportional to magnetic shielding. The resulting first-order wave functions are applied to calculate second-order energies within the model. We find that the second-order energies are independent of the nuclear charge screening constant in the unperturbed Hamiltonian with a central coulomb potential. (general)
Dispersion relation for Bernstein waves using a new transformation for the modified Bessel function
International Nuclear Information System (INIS)
Sato, Masumi
1985-01-01
Aitken's or Shanks' transformation of the exponent-modified Bessel function produces better approximations. Dispersion relations for the hybrid and Bernstein waves using these provide better thermal and parallel wavenumber corrections. They also predict more closely the evolution and mode-conversion of these waves. (author)
DEFF Research Database (Denmark)
Stroescu, Ionut Emanuel; Sørensen, Lasse; Frigaard, Peter Bak
2016-01-01
A non-linear stretching method was implemented for stream function theory to solve wave kinematics for physical conditions close to breaking waves in shallow waters, with wave heights limited by the water depth. The non-linear stretching method proves itself robust, efficient and fast, showing good...
Riemann zeta function from wave-packet dynamics
DEFF Research Database (Denmark)
Mack, R.; Dahl, Jens Peder; Moya-Cessa, H.
2010-01-01
index of JWKB. We compare and contrast exact and approximate eigenvalues of purely logarithmic potentials. Moreover, we use a numerical method to find a potential which leads to exact logarithmic eigenvalues. We discuss possible realizations of Riemann zeta wave-packet dynamics using cold atoms...
Water wave generation with source function in the level set finite element framework
International Nuclear Information System (INIS)
Lee, Hae Gyun
2015-01-01
Recent development of computing power and theoretical advances in computational fluid dynamics have made possible numerical simulations of water waves with full three-dimensional Navier-Stokes equations. In this study, an internal wave maker using the mass source function approach was combined with the level set finite element method for generation and propagation of water waves. The model is first applied to the two-dimensional linear wave generation and propagation. Then, it is applied to the three-dimensional simulation of the wave generation and the problem of wave force evaluation on the vertical wall. To effectively utilize computational resources and enhance the speed of execution, parallel algorithms are developed and applied for the three-dimensional problems. The results of numerical simulations are compared with theoretical values and good agreements are observed.
Potential applications of low-energy shock waves in functional urology.
Wang, Hung-Jen; Cheng, Jai-Hong; Chuang, Yao-Chi
2017-08-01
A shock wave, which carries energy and can propagate through a medium, is a type of continuous transmitted sonic wave with a frequency of 16 Hz-20 MHz. It is accompanied by processes involving rapid energy transformations. The energy associated with shock waves has been harnessed and used for various applications in medical science. High-energy extracorporeal shock wave therapy is the most successful application of shock waves, and has been used to disintegrate urolithiasis for 30 years. At lower energy levels, however, shock waves have enhanced expression of vascular endothelial growth factor, endothelial nitric oxide synthase, proliferating cell nuclear antigen, chemoattractant factors and recruitment of progenitor cells; shock waves have also improved tissue regeneration. Low-energy shock wave therapy has been used clinically with musculoskeletal disorders, ischemic cardiovascular disorders and erectile dysfunction, through the mechanisms of neovascularization, anti-inflammation and tissue regeneration. Furthermore, low-energy shock waves have been proposed to temporarily increase tissue permeability and facilitate intravesical drug delivery. The present review article provides information on the basics of shock wave physics, mechanisms of action on the biological system and potential applications in functional urology. © 2017 The Japanese Urological Association.
On guided wave propagation in fully clamped porous functionally graded nanoplates
Karami, Behrouz; Janghorban, Maziar; Li, Li
2018-02-01
The study on bulk waves in nanoplates has been done for several times in recent years, but guided waves have not been investigated yet. This paper is focused on the size-dependent guided wave propagation in mounted nanoplates made of porous functionally graded materials. To capture the size-dependent and shear effects, the first-order shear deformation theory and nonlocal elasticity theory are used to model the nanoplate. Porosity-dependent material properties of functionally graded nanoplate are defined via a modified power-law function. Governing equations were derived by using Hamilton's principle and are solved analytically to obtain wave frequencies and phase velocities. It is the first time that the presented model is used for studying guided wave propagation in fully clamped functionally graded nanoplates with porosities. In this research, wave frequencies as well as phase velocities of a fully clamped porous functionally graded nanoplate incorporating the effects of length-to-thickness ratio, aspect ratio, porosities, material gradation, nonlocal parameter, elastic foundation parameters and wave number are studied in detail.
Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections
Energy Technology Data Exchange (ETDEWEB)
Meek, Garrett A.; Levine, Benjamin G., E-mail: levine@chemistry.msu.edu [Department of Chemistry, Michigan State University, East Lansing, Michigan 48824 (United States)
2016-05-14
We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.
The meaning of the wave function in search of the ontology of quantum mechanics
Gao, Shan
2017-01-01
At the heart of quantum mechanics lies the wave function, a powerful but mysterious mathematical object which has been a hot topic of debate from its earliest stages. Covering much of the recent debate and providing a comprehensive and critical review of competing approaches, this ambitious text provides new, decisive proof of the reality of the wave function. Aiming to make sense of the wave function in quantum mechanics and to find the ontological content of the theory, this book explores new ontological interpretations of the wave function in terms of random discontinuous motion of particles. Finally, the book investigates whether the suggested quantum ontology is complete in solving the measurement problem and if it should be revised in the relativistic domain. A timely addition to the literature on the foundations of quantum mechanics, this book is of value to students and researchers with an interest in the philosophy of physics. Presents a concise introduction to quantum mechanics, including the c...
Continuity Conditions on Schrodinger Wave Functions at Discontinuities of the Potential.
Branson, David
1979-01-01
Several standard arguments which attempt to show that the wave function and its derivative must be continuous across jump discontinuities of the potential are reviewed and their defects discussed. (Author/HM)
A fermionic loop wave functional for quantum chromodynamics at N sub(c) = + infinite
International Nuclear Information System (INIS)
Botelho, L.C.L.
1985-01-01
A fermionic loop wave functional for euclidean QCD in the t'Hooft topological limit is considered. Arguments are given that this equation leads to a fermionic (supersymmetric) string representation for the above theory. (Author) [pt
ORBITALES. A program for the calculation of wave functions with an analytical central potential
International Nuclear Information System (INIS)
Yunta Carretero; Rodriguez Mayquez, E.
1974-01-01
In this paper is described the objective, basis, carrying out in FORTRAN language and use of the program ORBITALES. This program calculate atomic wave function in the case of ths analytical central potential (Author) 8 refs
Structure of the channeling electrons wave functions under dynamical chaos conditions
International Nuclear Information System (INIS)
Shul’ga, N.F.; Syshchenko, V.V.; Tarnovsky, A.I.; Isupov, A.Yu.
2016-01-01
The stationary wave functions of fast electrons axially channeling in the silicon crystal near [1 1 0] direction have been found numerically for integrable and non-integrable cases, for which the classical motion is regular and chaotic, respectively. The nodal structure of the wave functions in the quasi-classical region, where the energy levels density is high, is agreed with quantum chaos theory predictions.
Asymptotic form of three-body (dtμ)+ and (ddμ)+ wave functions
International Nuclear Information System (INIS)
Kino, Y.; Shimamura, I.; Armour, E.A.G.; Kamimura, M.
1996-01-01
In order to investigate a discrepancy between existing literature values for the normalization constant in the asymptotic form of three-body wave functions for (DTμ) + , we report the results of a new calculation of the normalization constants for this system as well as the related system (DDμ) + . These were obtained by fitting to accurate variational wave functions with special care being taken to describe the long-range behavior. (orig.)
Lee, Gibbeum; Cho, Yeunwoo
2018-01-01
A new semi-analytical approach is presented to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of direct numerical approach to this matrix eigenvalue problem, which may suffer from the computational inaccuracy for big data, a pair of integral and differential equations are considered, which are related to the so-called prolate spheroidal wave functions (PSWF). First, the PSWF is expressed as a summation of a small number of the analytical Legendre functions. After substituting them into the PSWF differential equation, a much smaller size matrix eigenvalue problem is obtained than the direct numerical K-L matrix eigenvalue problem. By solving this with a minimal numerical effort, the PSWF and the associated eigenvalue of the PSWF differential equation are obtained. Then, the eigenvalue of the PSWF integral equation is analytically expressed by the functional values of the PSWF and the eigenvalues obtained in the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data such as ordinary irregular waves. It is found that, with the same accuracy, the required memory size of the present method is smaller than that of the direct numerical K-L representation and the computation time of the present method is shorter than that of the semi-analytical method based on the sinusoidal functions.
Modeling the Pulse Signal by Wave-Shape Function and Analyzing by Synchrosqueezing Transform.
Directory of Open Access Journals (Sweden)
Hau-Tieng Wu
Full Text Available We apply the recently developed adaptive non-harmonic model based on the wave-shape function, as well as the time-frequency analysis tool called synchrosqueezing transform (SST to model and analyze oscillatory physiological signals. To demonstrate how the model and algorithm work, we apply them to study the pulse wave signal. By extracting features called the spectral pulse signature, and based on functional regression, we characterize the hemodynamics from the radial pulse wave signals recorded by the sphygmomanometer. Analysis results suggest the potential of the proposed signal processing approach to extract health-related hemodynamics features.
Energy Technology Data Exchange (ETDEWEB)
McKechnie, Scott [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Booth, George H. [Theory and Simulation of Condensed Matter, King’s College London, The Strand, London WC2R 2LS (United Kingdom); Cohen, Aron J. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Cole, Jacqueline M., E-mail: jmc61@cam.ac.uk [Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Argonne National Laboratory, 9700 S Cass Avenue, Argonne, Illinois 60439 (United States)
2015-05-21
The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.
International Nuclear Information System (INIS)
McKechnie, Scott; Booth, George H.; Cohen, Aron J.; Cole, Jacqueline M.
2015-01-01
The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared
On the excited state wave functions of Dirac fermions in the random ...
Indian Academy of Sciences (India)
The self-duality of the theory under the transformation → 1/ is discussed. We also calculate the distribution functions of 0 = |0 ()|2, (i.e. (0); 0 () is the ground state wave function), which behaves as the log-normal distribution function. It is also shown that in small 0, (0) behaves as a chi-square distribution.
Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions
Jerke, Jonathan; Poirier, Bill
2018-03-01
Using a combination of ideas, the ground and several excited electronic states of the helium atom and the hydrogen molecule are computed to chemical accuracy—i.e., to within 1-2 mhartree or better. The basic strategy is very different from the standard electronic structure approach in that the full two-electron six-dimensional (6D) problem is tackled directly, rather than starting from a single-electron Hartree-Fock approximation. Electron correlation is thus treated exactly, even though computational requirements remain modest. The method also allows for exact wave functions to be computed, as well as energy levels. From the full-dimensional 6D wave functions computed here, radial distribution functions and radial correlation functions are extracted—as well as a 2D probability density function exhibiting antisymmetry for a single Cartesian component. These calculations support a more recent interpretation of Hund's rule, which states that the lower energy of the higher spin-multiplicity states is actually due to reduced screening, rather than reduced electron-electron repulsion. Prospects for larger systems and/or electron dynamics applications appear promising.
DEFF Research Database (Denmark)
Ibsen, Lars Bo
2008-01-01
Estimates for the amount of potential wave energy in the world range from 1-10 TW. The World Energy Council estimates that a potential 2TW of energy is available from the world’s oceans, which is the equivalent of twice the world’s electricity production. Whilst the recoverable resource is many...
Gomes, A.S.P.; Jacob, C.R.; Visscher, L.
2008-01-01
We present a simple and efficient embedding scheme for the wave-function based calculation of the energies of local excitations in large systems. By introducing an embedding potential obtained from density-functional theory (DFT) it is possible to describe the effect of an environment on local
Francisco, E.; Pendás, A. Martín; Blanco, M. A.
2008-04-01
Given an N-electron molecule and an exhaustive partition of the real space ( R) into m arbitrary regions Ω,Ω,…,Ω ( ⋃i=1mΩ=R), the edf program computes all the probabilities P(n,n,…,n) of having exactly n electrons in Ω, n electrons in Ω,…, and n electrons ( n+n+⋯+n=N) in Ω. Each Ω may correspond to a single basin (atomic domain) or several such basins (functional group). In the later case, each atomic domain must belong to a single Ω. The program can manage both single- and multi-determinant wave functions which are read in from an aimpac-like wave function description ( .wfn) file (T.A. Keith et al., The AIMPAC95 programs, http://www.chemistry.mcmaster.ca/aimpac, 1995). For multi-determinantal wave functions a generalization of the original .wfn file has been introduced. The new format is completely backwards compatible, adding to the previous structure a description of the configuration interaction (CI) coefficients and the determinants of correlated wave functions. Besides the .wfn file, edf only needs the overlap integrals over all the atomic domains between the molecular orbitals (MO). After the P(n,n,…,n) probabilities are computed, edf obtains from them several magnitudes relevant to chemical bonding theory, such as average electronic populations and localization/delocalization indices. Regarding spin, edf may be used in two ways: with or without a splitting of the P(n,n,…,n) probabilities into α and β spin components. Program summaryProgram title: edf Catalogue identifier: AEAJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5387 No. of bytes in distributed program, including test data, etc.: 52 381 Distribution format: tar.gz Programming language: Fortran 77 Computer
Mathieu function solutions for photoacoustic waves in sinusoidal one-dimensional structures.
Wu, Binbin; Diebold, Gerald J
2012-07-01
The photoacoustic effect for a one-dimensional structure, the sound speed of which varies sinusoidally in space, is shown to be governed by an inhomogeneous Mathieu equation with the forcing term dependent on the spatial and temporal properties of the exciting optical radiation. New orthogonality relations, traveling wave Mathieu functions, and solutions to the inhomogeneous Mathieu equation are found, which are used to determine the character of photoacoustic waves in infinite and finite length phononic structures. Floquet solutions to the Mathieu equation give the positions of the band gaps, the damping of the acoustic waves within the band gaps, and the dispersion relation for photoacoustic waves. The solutions to the Mathieu equation give the photoacoustic response of the structure, show the space equivalent of subharmonic generation and acoustic confinement when waves are excited within band gaps.
Cheng, Jin; Yu, Kuang; Libisch, Florian; Dieterich, Johannes M; Carter, Emily A
2017-03-14
Quantum mechanical embedding theories partition a complex system into multiple spatial regions that can use different electronic structure methods within each, to optimize trade-offs between accuracy and cost. The present work incorporates accurate but expensive correlated wave function (CW) methods for a subsystem containing the phenomenon or feature of greatest interest, while self-consistently capturing quantum effects of the surroundings using fast but less accurate density functional theory (DFT) approximations. We recently proposed two embedding methods [for a review, see: Acc. Chem. Res. 2014 , 47 , 2768 ]: density functional embedding theory (DFET) and potential functional embedding theory (PFET). DFET provides a fast but non-self-consistent density-based embedding scheme, whereas PFET offers a more rigorous theoretical framework to perform fully self-consistent, variational CW/DFT calculations [as defined in part 1, CW/DFT means subsystem 1(2) is treated with CW(DFT) methods]. When originally presented, PFET was only tested at the DFT/DFT level of theory as a proof of principle within a planewave (PW) basis. Part 1 of this two-part series demonstrated that PFET can be made to work well with mixed Gaussian type orbital (GTO)/PW bases, as long as optimized GTO bases and consistent electron-ion potentials are employed throughout. Here in part 2 we conduct the first PFET calculations at the CW/DFT level and compare them to DFET and full CW benchmarks. We test the performance of PFET at the CW/DFT level for a variety of types of interactions (hydrogen bonding, metallic, and ionic). By introducing an intermediate CW/DFT embedding scheme denoted DFET/PFET, we show how PFET remedies different types of errors in DFET, serving as a more robust type of embedding theory.
Cerebral functional connectivity and Mayer waves in mice: Phenomena and separability.
Bumstead, Jonathan R; Bauer, Adam Q; Wright, Patrick W; Culver, Joseph P
2017-02-01
Resting-state functional connectivity is a growing neuroimaging approach that analyses the spatiotemporal structure of spontaneous brain activity, often using low-frequency (Mayer waves. Despite how close in frequency these phenomena exist, there is little research on how vasomotion and Mayer waves are related to or affect resting-state functional connectivity. In this study, we analyze spontaneous hemodynamic fluctuations over the mouse cortex using optical intrinsic signal imaging. We found spontaneous occurrence of oscillatory hemodynamics ∼0.2 Hz consistent with the properties of Mayer waves reported in the literature. Across a group of mice (n = 19), there was a large variability in the magnitude of Mayer waves. However, regardless of the magnitude of Mayer waves, functional connectivity patterns could be recovered from hemodynamic signals when filtered to the lower frequency band, 0.01-0.08 Hz. Our results demonstrate that both Mayer waves and resting-state functional connectivity patterns can co-exist simultaneously, and that they can be separated by applying bandpass filters.
International Nuclear Information System (INIS)
Lerma H, S.
2010-01-01
The structure of the exact wave function of the isovectorial pairing Hamiltonian with nondegenerate single-particle levels is discussed. The way that the single-particle splittings break the quartet condensate solution found for N=Z nuclei in a single degenerate level is established. After a brief review of the exact solution, the structure of the wave function is analyzed and some particular cases are considered where a clear interpretation of the wave function emerges. An expression for the exact wave function in terms of the isospin triplet of pair creators is given. The ground-state wave function is analyzed as a function of pairing strength, for a system of four protons and four neutrons. For small and large values of the pairing strength a dominance of two-pair (quartets) scalar couplings is found, whereas for intermediate values enhancements of the nonscalar couplings are obtained. A correlation of these enhancements with the creation of Cooper-like pairs is observed.
Propagation of ultrasonic Love waves in nonhomogeneous elastic functionally graded materials.
Kiełczyński, P; Szalewski, M; Balcerzak, A; Wieja, K
2016-02-01
This paper presents a theoretical study of the propagation behavior of ultrasonic Love waves in nonhomogeneous functionally graded elastic materials, which is a vital problem in the mechanics of solids. The elastic properties (shear modulus) of a semi-infinite elastic half-space vary monotonically with the depth (distance from the surface of the material). The Direct Sturm-Liouville Problem that describes the propagation of Love waves in nonhomogeneous elastic functionally graded materials is formulated and solved by using two methods: i.e., (1) Finite Difference Method, and (2) Haskell-Thompson Transfer Matrix Method. The dispersion curves of phase and group velocity of surface Love waves in inhomogeneous elastic graded materials are evaluated. The integral formula for the group velocity of Love waves in nonhomogeneous elastic graded materials has been established. The effect of elastic non-homogeneities on the dispersion curves of Love waves is discussed. Two Love wave waveguide structures are analyzed: (1) a nonhomogeneous elastic surface layer deposited on a homogeneous elastic substrate, and (2) a semi-infinite nonhomogeneous elastic half-space. Obtained in this work, the phase and group velocity dispersion curves of Love waves propagating in the considered nonhomogeneous elastic waveguides have not previously been reported in the scientific literature. The results of this paper may give a deeper insight into the nature of Love waves propagation in elastic nonhomogeneous functionally graded materials, and can provide theoretical guidance for the design and optimization of Love wave based devices. Copyright © 2015 Elsevier B.V. All rights reserved.
Method of projectors and the construction of Green's function of the wave equation
International Nuclear Information System (INIS)
Vshivtsev, A.S.; Peregudov, D.V.; Tatarintsev, A.V.
1995-01-01
In the present article problems related to the propagation of waves in elastic anisotropic media with arbitrary types of symmetry are considered. Such problems are important for solid-body physics and for geophysics. An expansion of Green's function of the wave equation of the theory of elasticity is presented in the form of additive terms corresponding to the contributions of each of the three waves propagating in a solid body with designated anisotropic characteristics. An appropriate representation for the roots of the characteristic equation specifying the rate of wave propagation is presented. To illustrate the computation technique examples of certain types of media are considered. A representation is obtained for the static Green's function that does not require knowledge of the exact roots of the characteristic equation (assuming there is no degeneracy present)
Photo double ionization of He: C3-like wave function for the two electron continuum
International Nuclear Information System (INIS)
Otranto, S.; Garibotti, C.R.; Otranto, S.
2002-01-01
We evaluate the triply differential cross-section (TDCS) for photo double ionization (PDI) of helium. A first approximation to the final state can be obtained by neglecting the e-e interaction and the non-orthogonal kinetic energy. This leads to the C2 model which proposes as solution a product of 2 independent Coulomb wave plane waves. A better approximation is the C3 model where the C3 wave describes the e-e motion as independent of the presence of the nucleus and represents it by a Coulomb continuum wave. The C3 wave function mainly consists in the product of 3 Coulomb waves, each one representing the interaction between a pair of particles. We use a C3 final continuum wave function with an inter-electronic effective coordinate to express the nuclear screening. Comparison with the standard C3 model shows that the TDCS is enhanced in the threshold region by effect of the reduced inter-electronic repulsion introduced by the present model. A more accurate description of the intermediate energy region is also obtained. Comparison with recent experimental data shows a good overall agreement of the angular distributions. The theoretical PDI total cross-section shows a relevant improvement in the intermediate energy region relative to the C3 model, which converges to data for photon energies larger than 1 keV
Wright functions as scale-invariant solutions of the diffusion-wave equation
Gorenflo, Rudolf; Luchko, Yuri; Mainardi, Francesco
2000-06-01
The time-fractional diffusion-wave equation is obtained from the classical diffusion or wave equation by replacing the first- or second-order time derivative by a fractional derivative of order [alpha] (0method and the method of the Laplace transform, it is shown that the scale-invariant solutions of the mixed problem of signalling type for the time-fractional diffusion-wave equation are given in terms of the Wright function in the case 0reduced equation for the scale-invariant solutions is given in terms of the Caputo-type modification of the Erdélyi-Kober fractional differential operator.
Traveling waves in a diffusive predator-prey model with holling type-III functional response
International Nuclear Information System (INIS)
Li Wantong; Wu Shiliang
2008-01-01
We establish the existence of traveling wave solutions and small amplitude traveling wave train solutions for a reaction-diffusion system based on a predator-prey model with Holling type-III functional response. The analysis is in the three-dimensional phase space of the nonlinear ordinary differential equation system given by the diffusive predator-prey system in the traveling wave variable. The methods used to prove the results are the shooting argument, invariant manifold theory and the Hopf bifurcation theorem
Basis of symmetric polynomials for many-boson light-front wave functions.
Chabysheva, Sophia S; Hiller, John R
2014-12-01
We provide an algorithm for the construction of orthonormal multivariate polynomials that are symmetric with respect to the interchange of any two coordinates on the unit hypercube and are constrained to the hyperplane where the sum of the coordinates is one. These polynomials form a basis for the expansion of bosonic light-front momentum-space wave functions, as functions of longitudinal momentum, where momentum conservation guarantees that the fractions are on the interval [0,1] and sum to one. This generalizes earlier work on three-boson wave functions to wave functions for arbitrarily many identical bosons. A simple application in two-dimensional ϕ(4) theory illustrates the use of these polynomials.
Four-body wave function of π3He-system at the threshold energy
International Nuclear Information System (INIS)
Pupyshev, V.V.; Rakityanskij, S.A.
1985-01-01
On the basis of approximate four-body equations the wave function of π 3 He-system is calculated at zero kinetic energy of the pion. In the case when distances between all four particles are comparable with the nucleus size a strong distortion of the wave function of (3N)-subsystem caused by the presence of the pion is found. The calculated four-body function is represented in a semianalytical form, which makes it possible to apply it in different calculations
Doubly charmed baryon mass and wave function through a random walks method
Kerbikov, B. O.
2018-02-01
The mass and the wave function of doubly charmed Ξ cc ++(ccu) baryon are evaluated using Green Function Monte Carlo method to solve the three-body problem with Cornell potential. The mass of Ξ cc ++with spin 1/2 is in a good agreement with the LHCb value. Simulation of the wave function by random walks resulted in a configuration of the quark-diquark type. The radius of Ξ cc ++is much larger than the size needed for a large isospin splitting. The prediction for the Ω cc mass is presented.
The role of correlation functions in the theory of optical wave fields
Schouten, H.; Visser, T.D.
2008-01-01
We discuss the fundamental role of correlation functions in optical wave fields. These functions determine important properties such as the spectrum, the state of polarization, and the state of coherence of light. These properties generally change on propagation, even when the field travels through
Large multiconfiguration self-consistent-field wave functions for the ozone molecule
International Nuclear Information System (INIS)
Laidig, W.D.; Schaefer, H.F. III
1981-01-01
The electronic structure of the ozone molecule is of particular interest in light of Goddard's characterization of the ground state as a biradical. Rigorously optimized multiconfiguration self-consistent-field (MCSCF) wave functions of varying size have been determined here for ozone via newly developed techniques utilizing the unitary group approach. The largest of these ab initio MCSCF wave functions includes 13 413 configurations, i.e., all singly- and doubly excited configurations relative to the two reference configurations required for the biradical description of ozone. The convergence of the MCSCF procedures is discussed, as well as the structure of the MCSCF wave functions, and the effectiveness of different orbital transformations. There is a significant energy difference (0.034 hartrees) between the MCSCF wave functions involving one and two reference configurations. This gives emphasis to the fact that orbital optimization alone cannot compensate for the exclusion from the wave function of important classes of configurations. A simple test for the determination of the fraction biradical character of systems such as ozone suggests 23% biradical character for 0 3 at its equilibrium geometry
The carcass wave functions in many particle variational calculations
International Nuclear Information System (INIS)
Zakharov, P.P.; Kolesnikov, N.N.; Tarasov, V.I.
1983-01-01
An improved procedure of many-particle variational calculations based on using ''carcass'' trial functions attaining maximum at a certain spatial particle configuration specified by the system of variational vectors is proposed. It is shown that on the example of concrete three - and four particle calculations that the suggested procedure is capable to ensure considerably better convergence of variational estimations and therefore in many cases turns to be more economical than analogous calculations with carcassless functions despite a certain complicated form of matrix elements
Symmetric multivariate polynomials as a basis for three-boson light-front wave functions.
Chabysheva, Sophia S; Elliott, Blair; Hiller, John R
2013-12-01
We develop a polynomial basis to be used in numerical calculations of light-front Fock-space wave functions. Such wave functions typically depend on longitudinal momentum fractions that sum to unity. For three particles, this constraint limits the two remaining independent momentum fractions to a triangle, for which the three momentum fractions act as barycentric coordinates. For three identical bosons, the wave function must be symmetric with respect to all three momentum fractions. Therefore, as a basis, we construct polynomials in two variables on a triangle that are symmetric with respect to the interchange of any two barycentric coordinates. We find that, through the fifth order, the polynomial is unique at each order, and, in general, these polynomials can be constructed from products of powers of the second- and third-order polynomials. The use of such a basis is illustrated in a calculation of a light-front wave function in two-dimensional ϕ(4) theory; the polynomial basis performs much better than the plane-wave basis used in discrete light-cone quantization.
Form factors and wave functions in covariant light-cone dynamics
International Nuclear Information System (INIS)
Leitner, O.
2002-01-01
Full text: Meson wave functions and transition form factors are investigated in a covariant light front formalism. We focus on the pseudo-scalar and vector particles. We develop the theoretical approach and apply it to determine B, D, π, K, J/ψ, r and ω wave functions. In our study, the relativistic structure is fully expressed. For the phenomenological approach, physical constraints such as the decay constant, transition form factor, electromagnetic form factor and charge radius are used. As regards transitions, we analyse exclusive semi-leptonic B and D decays. We study precisely the transitions 0 - → 0 - and 0 - → 1 - . Wave functions extracted previously in our analysis are taken into account in order to calculate decay form factors
Wave functions of S U (3 ) pure gauge glueballs on the lattice
Liang, Jian; Chen, Ying; Chiu, Wei-Feng; Gui, Long-Cheng; Gong, Ming; Liu, Zhaofeng
2015-03-01
The Bethe-Salpeter wave functions of S U (3 ) pure gauge glueballs are revisited in this study. The ground and the first excited states of the scalar and tensor glueballs are identified unambiguously through the variational method. We calculate the wave functions in the Coulomb gauge and use two lattice spacings to check the discretization artifacts. For the ground states, the radial wave functions are approximately Gaussian, and the size of the tensor glueball is roughly twice as large as that of the scalar glueball. For the first excited states, the radial nodes are clearly observed for both the scalar and the tensor glueballs, such that they can be interpreted as the first radial excitations. These observations may shed light on the theoretical understanding of the inner structure of glueballs.
Wave Function and Emergent SU(2) Symmetry in the νT=1 Quantum Hall Bilayer
Lian, Biao; Zhang, Shou-Cheng
2018-02-01
We propose a trial wave function for the quantum Hall bilayer system of total filling factor νT=1 at a layer distance d to magnetic length ℓ ratio d /ℓ=κc 1≈1.1 , where the lowest charged excitation is known to have a level crossing. The wave function has two-particle correlations, which fit well with those in previous numerical studies, and can be viewed as a Bose-Einstein condensate of free excitons formed by composite bosons and anticomposite bosons in different layers. We show the free nature of these excitons indicating an emergent SU(2) symmetry for the composite bosons at d /ℓ=κc 1, which leads to the level crossing in low-lying charged excitations. We further show the overlap between the trial wave function, and the ground state of a small size exact diagonalization is peaked near d /ℓ=κc 1, which supports our theory.
Asymptotic expansions of Mathieu functions in wave mechanics
International Nuclear Information System (INIS)
Hunter, G.; Kuriyan, M.
1976-01-01
Solutions of the radial Schroedinger equation containing a polarization potential r -4 are expanded in a form appropriate for large values of r. These expansions of the Mathieu functions are used in association with the numerical solution of the Schroedinger equation to impose the asymptotic boundary condition in the case of bound states, and to extract phase shifts in the case of scattering states
Wave functions constructed from an invariant sum over histories satisfy constraints
International Nuclear Information System (INIS)
Halliwell, J.J.; Hartle, J.B.
1991-01-01
Invariance of classical equations of motion under a group parametrized by functions of time implies constraints between canonical coordinates and momenta. In the Dirac formulation of quantum mechanics, invariance is normally imposed by demanding that physical wave functions are annihilated by the operator versions of these constraints. In the sum-over-histories quantum mechanics, however, wave functions are specified, directly, by appropriate functional integrals. It therefore becomes an interesting question whether the wave functions so specified obey the operator constraints of the Dirac theory. In this paper, we show for a wide class of theories, including gauge theories, general relativity, and first-quantized string theories, that wave functions constructed from a sum over histories are, in fact, annihilated by the constraints provided that the sum over histories is constructed in a manner which respects the invariance generated by the constraints. By this we mean a sum over histories defined with an invariant action, invariant measure, and an invariant class of paths summed over
Transfer function and near-field detection of evanescent waves
DEFF Research Database (Denmark)
Radko, Ylia P.; Bozhevolnyi, Sergey I.; Gregersen, Niels
2006-01-01
for the transfer function, which is derived by introducing an effective pointof (dipolelike) detection inside the probe tip. It is found to be possible to fit reasonably well both the experimental and the simulation data for evanescent field components, implying that the developed approximation of the near-field...... of collection and illumination modes. Making use of a collection near-field microscope with a similar fiber tip illuminated by an evanescent field, we measure the collected power as a function of the field spatial frequency in different polarization configurations. Considering a two-dimensional probe......We consider characterization of a near-field optical probe in terms of detection efficiency of different spatial frequencies associated with propagating and evanescent field components. The former are both detected with and radiated from an etched single-mode fibertip, showing reciprocity...
Hartle-Hawking wave function and large-scale power suppression of CMB
Yeom, Dong-han
2018-01-01
In this presentation, we first describe the Hartle-Hawking wave function in the Euclidean path integral approach. After we introduce perturbations to the background instanton solution, following the formalism developed by Halliwell-Hawking and Laflamme, one can obtain the scale-invariant power spectrum for small-scales. We further emphasize that the Hartle-Hawking wave function can explain the large-scale power suppression by choosing suitable potential parameters, where this will be a possible window to confirm or falsify models of quantum cosmology. Finally, we further comment on possible future applications, e.g., Euclidean wormholes, which can result in distinct signatures to the power spectrum.
Second-Order Moller-Plesset Perturbation Theory for Molecular Dirac-Hartree-Fock Wave Functions
Dyall, Kenneth G.; Arnold, James O. (Technical Monitor)
1994-01-01
Moller-Plesset perturbation theory is developed to second order for a selection of Kramers restricted Dirac-Hartree-Fock closed and open-shell reference wave functions. The open-shell wave functions considered are limited to those with no more than two electrons in open shells, but include the case of a two-configuration SCF reference. Denominator shifts are included in the style of Davidson's OPT2 method. An implementation which uses unordered integrals with labels is presented, and results are given for a few test cases.
Cut-off frequencies of Lamb waves in various functionally graded thin films
Cao, Xiaoshan; Shi, Junping; Jin, Feng
2011-09-01
An analytical study is carried out on the cut-off frequencies of Lamb waves in freestanding thin films made of various functionally graded elastic, piezoelectric, or piezoelectric-piezomagnetic materials. Results show that the set of cut-off frequencies is a union of two series of approximate arithmetic progression, in which the differences are inversely proportional to the definite integral of a function of the material parameters along thickness. Given the simple and universal relationship between cut-off frequencies and material parameters, this study provides theoretical guidance not only for nondestructive evaluation in engineering applications but for designing high-performance sensors based on Lamb waves.
Wave functions of continuous spectrum of the Coulomb two-center problem
International Nuclear Information System (INIS)
Pavlov, D.V.; Puzynin, I.V.; Vinitskij, S.I.; Dzholyakyan, B.
2000-01-01
The effective algorithm of the calculation of the wave functions of the continuous spectrum is proposed. For solving this problem the finite difference scheme of 4th-order and the continuous analog of Newton method are applied. The wave functions of the continuous spectrum of the two-center problem of positive molecular ion of hydrogen together with the phase shifts are calculated and the corresponding pictures are presented. The absolute accuracy of the calculated phase shift is order 10 -6 for the electron momentum k ≥ 1 and order 10 -4 for k ∼ 0.1. The matrix elements between the continuous and discrete spectrum are calculated
Czech Academy of Sciences Publication Activity Database
Riley, K. E.; Pitoňák, Michal; Jurečka, P.; Hobza, Pavel
2010-01-01
Roč. 110, č. 9 (2010), s. 5023-5063 ISSN 0009-2665 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : non covalent interactions * wave function theories * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 33.033, year: 2010
Configuration interaction of hydropathic waves enables ubiquitin functionality
Allan, Douglas C.; Phillips, J. C.
2018-02-01
Ubiquitin, discovered less than 50 years ago, tags thousands of diseased proteins for destruction. It is small (only 76 amino acids), and is found unchanged in mammals, birds, fish and even worms. Key features of its functionality are identified here using critical point thermodynamic scaling theory. These include Fano interference between first- and second-order elements of correlated long-range globular surface shape transitions. Comparison with its closest relative, 76 amino acid Nedd8, shows that the latter lacks these features. A cracked elastic network model is proposed for the common target shared by many diseased proteins.
International Nuclear Information System (INIS)
Zhao, D.; Suzuki, Y.; Komori, S.
2003-01-01
A new formula for gas transfer velocity as a function of the breaking-wave parameter is proposed based on correlating gas transfer with whitecap coverage. The new formula for gas transfer across an air-sea interface depends not only on wind speed but also on wind-wave state. At the same wind speed, a higher gas transfer velocity will be obtained for a more developed wind-sea, which is represented by a smaller spectral peak frequency of wind waves. We suggest that the large uncertainties in the traditional relationship of gas transfer velocity with wind speed be ascribed to the neglect of the effect of wind waves. The breaking-wave parameter can be regarded as a Reynolds number that characterizes the intensity of turbulence associated with wind waves in the downward-bursting boundary layer (DBBL). DBBL provides an effective way to exchange gas across the air-sea interface, which might be related to the surface renewal
Diffraction and quantum control of wave functions in nonresonant two-photon absorption
Li, Baihong; Pang, Huafeng; Wang, Doudou; Zhang, Tao; Dong, Ruifang; Li, Yongfang
2018-03-01
In this study, the nonresonant two-photon absorption process in a two-level atom, induced by a weak chirped pulse, is theoretically investigated in the frequency domain. An analytical expression of the wave function expressed by Fresnel functions is obtained, and the two-photon transition probability (TPTP) versus the integral bandwidth, spectral width, and chirp parameter is analyzed. The results indicate that the oscillation evolution of the TPTP result from quantum diffraction of the wave function, which can be explained by analogy with Fresnel diffraction from a wide slit in the spatial domain. Moreover, the ratio between the real and imaginary parts of the excited state wave function and, hence, the atomic polarization, can be controlled by the initial phase of the excitation pulse. In some special initial phase of the excitation pulse, the wave functions with purely real or imaginary parts can be obtained by measuring the population probability. This work provides a novel perspective for understanding the physical details of the interactions between atoms and chirped light pulses in the multiphoton process.
Caballero, Marc; Moreira, Ibério de P R; Bofill, Josep Maria
2013-05-07
A comparison model is proposed based on the Löwdin partitioning technique to analyze the differences in the treatment of electron correlation by the wave function and density functional models. This comparison model provides a tool to understand the inherent structure of both theories and its discrepancies in terms of the subjacent mathematical structure and the necessary conditions for variationality required for the energy functional. Some numerical results on simple molecules are also reported revealing the known phenomenon of "overcorrelation" of density functional theory methods.
International Nuclear Information System (INIS)
Nikolopoulos, L. A. A.; Kjeldsen, T. K.; Madsen, L. B.
2007-01-01
We present a method for spectral (bound and continuum) and partial-wave analysis of a three-dimensional time-dependent wave function, defined on a grid, without projecting onto the field-free eigenstates of the system. The method consists of propagating the time-dependent Schroedinger equation to obtain its autocorrelation function C(t)= after the end of the interaction, at time T, of the system with an external time-dependent field. The Fourier spectrum of this correlation function is directly related to the expansion coefficients of the wave function on the field-free bound and continuum energy eigenstates of the system. By expanding on a spherical harmonics basis we show how to calculate the contribution of the various partial waves to the total photoelectron energy spectrum
Thermal-wave fields in solid wedges using the Green function method: Theory and experiment
Tai, Rui; Zhang, Jie; Wang, Chinhua; Mandelis, Andreas
2013-04-01
In this work, we establish a theoretical model for a cylindrical rod of radius R with opening angle θ illuminated by a modulated incident beam. The model uses the Green function method in cylindrical coordinates. An analytical expression for the Green function and thermal-wave field in such a solid is presented. The theory is validated in the limit of reducing the arbitrary wedge geometrical structure to simpler geometries. For acute angle wedges, it is shown that the thermal-wave field near the edge exhibits confinement behavior and increased amplitude compared to a flat (reference) solid with θ = π. For obtuse angle wedges, it is shown that the opposite is true and relaxation of confinement occurs leading to lower amplitude thermal-wave fields. The theory provides a basis for quantitative thermophysical characterization of wedge-shaped objects and it is tested using an AISI 304 steel wedge and photothermal radiometry detection.
Three-Dimensional Visualization of Wave Functions for Rotating Molecule: Plot of Spherical Harmonics
Nagaoka, Shin-ichi; Teramae, Hiroyuki; Nagashima, Umpei
2013-01-01
At an early stage of learning quantum chemistry, undergraduate students usually encounter the concepts of the particle in a box, the harmonic oscillator, and then the particle on a sphere. Rotational levels of a diatomic molecule can be well approximated by the energy levels of the particle on a sphere. Wave functions for the particle in a…
Fracchia, F.; Filippi, Claudia; Amovilli, C.
2012-01-01
We propose a new class of multideterminantal Jastrow–Slater wave functions constructed with localized orbitals and designed to describe complex potential energy surfaces of molecular systems for use in quantum Monte Carlo (QMC). Inspired by the generalized valence bond formalism, we elaborate a
Wave functions and finite size effects in a two-dimensional lattice field theory
International Nuclear Information System (INIS)
Thacker, H.B.
1985-06-01
A study of finite size corrections to the masses of fermions and bound states in the Baxter/massive Thirring/sine Gordon lattice field theory is discussed. It is shown that information on bound tate wave functions may be used to extrapolate Monte Carlo mass calculations to infinite volume. 10 refs., 4 figs
Probability density of wave function of excited photoelectron: understanding XANES features
Czech Academy of Sciences Publication Activity Database
Šipr, Ondřej
2001-01-01
Roč. 8, - (2001), s. 232-234 ISSN 0909-0495 R&D Projects: GA ČR GA202/99/0404 Institutional research plan: CEZ:A02/98:Z1-010-914 Keywords : XANES * PED - probability density of wave function Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.519, year: 2001
Double-continuum wave functions and double-photoionization cross sections of two-electron systems
International Nuclear Information System (INIS)
Tiwary, S.N.
1996-09-01
The present review briefly presents the growing experimental as well as theoretical interests in recent years in the double-continuum wave functions and double-photoionization cross sections of two-electron systems. The validity of existing double-continuum wave functions is analyzed and the importance of electronic correlations in both the initial as well as final states wave functions involved in the transition amplitude for double-photoionization process is demonstrated. At present, we do not have comprehensive and practical double-continuum wave functions which account the full correlation of two-electron in the continuum. Basic difficulties in making accurate theoretical calculations of double ionization by a single high energy photon especially in the vicinity of the threshold, where the correlation plays an important role, are discussed. Illuminating, illustrative and representative examples are presented in order to show the present status and the progress in this field. Future challenges and directions, in high-precision double-photoionization cross sections calculations, have been discussed and suggested. (author). 133 refs, 9 figs
Influence of wetting layer wave functions on carrier capture in quantum dots
DEFF Research Database (Denmark)
Markussen, Troels; Kristensen, Philip; Tromborg, Bjarne
2005-01-01
This work numerically solves the effective mass Schrodinger equation and shows that the capture times are strongly influenced by details of the continuum states not accounted for by the approximate wave functions. Results show that calculations of capture time for phonon mediated carrier capture...
Alternative Form of the Hydrogenic Wave Functions for an Extended, Uniformly Charged Nucleus.
Ley-Koo, E.; And Others
1980-01-01
Presented are forms of harmonic oscillator attraction and Coulomb wave functions which can be explicitly constructed and which lead to numerical results for the energy eigenvalues and eigenfunctions of the atomic system. The Schrodinger equation and its solution and specific cases of muonic atoms illustrating numerical calculations are included.…
4 pi-Periodicity of the spinor wave function under space rotation
Fischer, P; Jacobson, D L; Arif, M; Mezei, F
2000-01-01
We report the results of an experiment which observed the 4 pi-symmetry of the neutron wave function under space rotation by the use of a slowly rotating magnetic field which trapped the precessing neutron spin and turned it in space.
On ground-state wave functions for Sutherland-Calogero Systems in an external field
International Nuclear Information System (INIS)
Inozemtsev, V.I.; Meshcheryakov, D.V.
1984-01-01
Conditions are considered under which the ground-state wave functions of quantum systems of interacting particles n an external field are factorizable and can be found explicitly. The corresponding classical systems of particles are completely integrable; in the quantum case an extra integral of motion is constructed for a two-particle system
On the excited state wave functions of Dirac fermions in the random ...
Indian Academy of Sciences (India)
Despite its importance, the problem of the structure of quantum states of weakly disordered conductors for scales below the length ξ has started to attract interest only in the preceding decade [8,15–17]. This problem is well understood only for extended states, i.e., in the limit of small wave function amplitudes t = |ψ(x)|2. [15].
Romanelli, N.; Mazelle, C.; Meziane, K.
2018-02-01
Seen from the solar wind (SW) reference frame, the presence of newborn planetary protons upstream from the Martian and Venusian bow shocks and SW protons reflected from each of them constitutes two sources of nonthermal proton populations. In both cases, the resulting proton velocity distribution function is highly unstable and capable of giving rise to ultralow frequency quasi-monochromatic electromagnetic plasma waves. When these instabilities take place, the resulting nonlinear waves are convected by the SW and interact with nonthermal protons located downstream from the wave generation region (upstream from the bow shock), playing a predominant role in their dynamics. To improve our understanding of these phenomena, we study the interaction between a charged particle and a large-amplitude monochromatic circularly polarized electromagnetic wave propagating parallel to a background magnetic field, from first principles. We determine the number of fix points in velocity space, their stability, and their dependence on different wave-particle parameters. Particularly, we determine the temporal evolution of a charged particle in the pitch angle-gyrophase velocity plane under nominal conditions expected for backstreaming protons in planetary foreshocks and for newborn planetary protons in the upstream regions of Venus and Mars. In addition, the inclusion of wave ellipticity effects provides an explanation for pitch angle distributions of suprathermal protons observed at the Earth's foreshock, reported in previous studies. These analyses constitute a mean to evaluate if nonthermal proton velocity distribution functions observed at these plasma environments present signatures that can be understood in terms of nonlinear wave-particle processes.
Hedayatrasa, Saeid; Bui, Tinh Quoc; Zhang, Chuanzeng; Lim, Chee Wah
2014-02-01
Numerical modeling of the Lamb wave propagation in functionally graded materials (FGMs) by a two-dimensional time-domain spectral finite element method (SpFEM) is presented. The high-order Chebyshev polynomials as approximation functions are used in the present formulation, which provides the capability to take into account the through thickness variation of the material properties. The efficiency and accuracy of the present model with one and two layers of 5th order spectral elements in modeling wave propagation in FGM plates are analyzed. Different excitation frequencies in a wide range of 28-350 kHz are investigated, and the dispersion properties obtained by the present model are verified by reference results. The through thickness wave structure of two principal Lamb modes are extracted and analyzed by the symmetry and relative amplitude of the vertical and horizontal oscillations. The differences with respect to Lamb modes generated in homogeneous plates are explained. Zero-crossing and wavelet signal processing-spectrum decomposition procedures are implemented to obtain phase and group velocities and their dispersion properties. So it is attested how this approach can be practically employed for simulation, calibration and optimization of Lamb wave based nondestructive evaluation techniques for the FGMs. The capability of modeling stress wave propagation through the thickness of an FGM specimen subjected to impact load is also investigated, which shows that the present method is highly accurate as compared with other existing reference data.
Whistler Waves With Electron Temperature Anisotropy And Non-Maxwellian Distribution Functions
Masood, W.
2017-12-01
Low frequency waves (˜ 100Hz), popularly known as Lion roars, are ubiquitously observed by satellites in terrestrial magnetosheath. By dint of both wave and electron data from the Cluster spacecraft and employing the linear kinetic theory for the electromagnetic waves, Masood et. al. (Ann. Geophysicae. 24, 1725-1735 (2006)) examined the conjecture made by Thorne and Tsurutani (Nature, 93, 384 (1981)) that whistler waves with electron temperature anisotropy are the progenitors of lion roars. It turned out that the study based upon the bi-Maxwellian distribution function did not come up with a satisfactory explanation of certain disagreements between theory and data. In this paper, we revisit the problem using the generalized (r, q) distribution to carry out the linear stability analysis. It is shown that good qualitative and quantitative agreements are found between theory and data using this distribution. Whistler waves with electron temperature anisotropy are also investigated with other non-Maxwellian distribution functions and general comparison is made in the end and differences in each case are highlighted. The possible applications in space plasmas are also pointed out.
Joint Inversion of Surface Waves Dispersion and Receiver Function at Cuba Seismic Stations
International Nuclear Information System (INIS)
Gonzalez, O'Leary; Moreno, Bladimir; Romanelli, Fabio; Panza, Giuliano F.
2010-06-01
Joint inversion of Rayleigh wave group velocity dispersion and receiver functions have been used to estimate the crust and upper mantle structure at eight seismic stations in Cuba. Receiver functions have been computed from teleseismic recordings of earthquakes at epicentral (angular) distances between 30 o and 90 o and Rayleigh wave group velocity dispersion have been taken from a surface-wave tomography study of the Caribbean area. The thickest crust (around 27 km) is found at Cascorro (CCC), Soroa (SOR), Moa (MOA) and Maisi (MAS) stations while the thinnest crust (around 18 km) is found at stations Rio Carpintero (RCC) and Guantanamo Bay (GTBY), in the southeastern of Cuba; this result is in agreement with the southward gradual thinning of the crust revealed by previous studies. The inversion shows a crystalline crust with S-wave velocity between 2.9 km/s and 3.9 km/s and at the crust-mantle transition zone the shear wave velocity varies from 3.9 km/s and 4.3 km/s. The lithospheric thickness varies from 74 km, in the youngest lithosphere, to 200 km in the middle of the Cuban island. Evidences of a subducted slab possibly belonging to the Caribbean plate are present below the stations Las Mercedes (LMG), RCC and GTBY and a thicker slab is present below the SOR station. (author)
Simanungkalit, R. H.; Anggono, T.; Syuhada; Amran, A.; Supriyanto
2018-03-01
Earthquake signal observations around the world allow seismologists to obtain the information of internal structure of the Earth especially the Earth’s crust. In this study, we used joint inversion of receiver functions and surface wave group velocities to investigate crustal structure beneath CBJI station in West Java, Indonesia. Receiver function were calculated from earthquakes with magnitude more than 5 and at distance 30°-90°. Surface wave group velocities were calculated using frequency time analysis from earthquakes at distance of 30°- 40°. We inverted shear wave velocity model beneath the station by conducting joint inversion from receiver functions and surface wave dispersions. We suggest that the crustal thickness beneath CBJI station, West Java, Indonesia is about 35 km.
On a functional equation related to the intermediate long wave equation
International Nuclear Information System (INIS)
Hone, A N W; Novikov, V S
2004-01-01
We resolve an open problem stated by Ablowitz et al (1982 J. Phys. A: Math. Gen. 15 781) concerning the integral operator appearing in the intermediate long wave equation. We explain how this is resolved using the perturbative symmetry approach introduced by one of us with Mikhailov. By solving a certain functional equation, we prove that the intermediate long wave equation and the Benjamin-Ono equation are the unique integrable cases within a particular class of integro-differential equations. Furthermore, we explain how the perturbative symmetry approach is naturally extended to treat equations on a periodic domain. (letter to the editor)
Energy Technology Data Exchange (ETDEWEB)
Tang, Jau
1996-02-01
As an alternative to better physical explanations of the mechanisms of quantum interference and the origins of uncertainty broadening, a linear hopping model is proposed with ``color-varying`` dynamics to reflect fast exchange between time-reversed states. Intricate relations between this model, particle-wave dualism, and relativity are discussed. The wave function is shown to possess dual characteristics of a stable, localized ``soliton-like`` de Broglie wavelet and a delocalized, interfering Schroedinger carrier wave function.
Horizon wave function for single localized particles: GUP and quantum black-hole decay
International Nuclear Information System (INIS)
Casadio, Roberto; Scardigli, Fabio
2014-01-01
A localized particle in Quantum Mechanics is described by a wave packet in position space, regardless of its energy. However, from the point of view of General Relativity, if the particle's energy density exceeds a certain threshold, it should be a black hole. To combine these two pictures, we introduce a horizon wave function determined by the particle wave function in position space, which eventually yields the probability that the particle is a black hole. The existence of a minimum mass for black holes naturally follows, albeit not in the form of a sharp value around the Planck scale, but rather like a vanishing probability that a particle much lighter than the Planck mass may be a black hole. We also show that our construction entails an effective generalized uncertainty principle (GUP), simply obtained by adding the uncertainties coming from the two wave functions associated with a particle. Finally, the decay of microscopic (quantum) black holes is also described in agreement with what the GUP predicts. (orig.)
Trend Extraction in Functional Data of Amplitudes of R and T Waves in Exercise Electrocardiogram
Cammarota, Camillo; Curione, Mario
The amplitudes of R and T waves of the electrocardiogram (ECG) recorded during the exercise test show both large inter- and intra-individual variability in response to stress. We analyze a dataset of 65 normal subjects undergoing ambulatory test. We model the dataset of R and T series in the framework of functional data, assuming that the individual series are realizations of a non-stationary process, centered at the population trend. We test the time variability of this trend computing a simultaneous confidence band and the zero crossing of its derivative. The analysis shows that the amplitudes of the R and T waves have opposite responses to stress, consisting respectively in a bump and a dip at the early recovery stage. Our findings support the existence of a relationship between R and T wave amplitudes and respectively diastolic and systolic ventricular volumes.
A Proton-Cyclotron Wave Storm Generated by Unstable Proton Distribution Functions in the Solar Wind
Wicks, R. T.; Alexander, R. L.; Stevens, M.; Wilson, L. B., III; Moya, P. S.; Vinas, A.; Jian, L. K.; Roberts, D. A.; O’Modhrain, S.; Gilbert, J. A.;
2016-01-01
We use audification of 0.092 seconds cadence magnetometer data from the Wind spacecraft to identify waves with amplitudes greater than 0.1 nanoteslas near the ion gyrofrequency (approximately 0.1 hertz) with duration longer than 1 hour during 2008. We present one of the most common types of event for a case study and find it to be a proton-cyclotron wave storm, coinciding with highly radial magnetic field and a suprathermal proton beam close in density to the core distribution itself. Using linear Vlasov analysis, we conclude that the long-duration, large-amplitude waves are generated by the instability of the proton distribution function. The origin of the beam is unknown, but the radial field period is found in the trailing edge of a fast solar wind stream and resembles other events thought to be caused by magnetic field footpoint motion or interchange reconnection between coronal holes and closed field lines in the corona.
Heavy quark fragmentation functions for D-wave quarkonium and charmed beauty mesons
International Nuclear Information System (INIS)
Cheung, K.; Yuan, T.C.
1995-09-01
At the large transverse momentum region, the production of heavy-heavy bound-states such as charmonium, bottomonium, and anti bc mesons in high energy e + e - and hadronic collisions is dominated by parton fragmentation. The authors calculate the heavy quark fragmentation functions into the D-wave quarkonium and anti bc mesons to leading order in the strong coupling constant and in the non-relativistic expansion. In the anti bc meson case, one set of its D-wave states is expected to lie below the open flavor threshold. The total fragmentation probability for a anti b antiquark to split into the D-wave anti bc mesons is about 2 x 10 -5 , which implies that only 2% of the total pseudo-scalar ground state B c comes from the cascades of these orbitally excited states
Topchiy, Irina; Waxman, Jonathan; Radulovacki, Miodrag; Carley, David W.
2010-01-01
Functionally distinct areas were mapped within the pedunculopontine tegmentum (PPT) of 42 ketamine/xylazine anesthetized rats using local stimulation by glutamate microinjection (10 mM, 5–12 nl). Functional responses were classified as: 1) apnea; 2) tachypnea; 3) hypertension (HTN); 4) sinus tachycardia; 5) genioglossus electromyogram activation or 6) pontine-waves (p-waves) activation.
Location of Singularities in tight-binding wave function of loop-ordered states with Chern numbers
He, Yan; Varma, Chandra
2012-02-01
As a pedagogic exercise, we consider time-reversal violating tight-binding wave-functions for Haldane states in the Graphene model and in a Copper-Oxide model. We locate the singularities in the wave-functions and derive the movement in their location as well as the change in the Berry phase with the choice of Gauge.
Mehrkash, Milad; Azhari, Mojtaba; Mirdamadi, Hamid Reza
2014-01-01
The importance of elastic wave propagation problem in plates arises from the application of ultrasonic elastic waves in non-destructive evaluation of plate-like structures. However, precise study and analysis of acoustic guided waves especially in non-homogeneous waveguides such as functionally graded plates are so complicated that exact elastodynamic methods are rarely employed in practical applications. Thus, the simple approximate plate theories have attracted much interest for the calculation of wave fields in FGM plates. Therefore, in the current research, the classical plate theory (CPT), first-order shear deformation theory (FSDT) and third-order shear deformation theory (TSDT) are used to obtain the transient responses of flexural waves in FGM plates subjected to transverse impulsive loadings. Moreover, comparing the results with those based on a well recognized hybrid numerical method (HNM), we examine the accuracy of the plate theories for several plates of various thicknesses under excitations of different frequencies. The material properties of the plate are assumed to vary across the plate thickness according to a simple power-law distribution in terms of volume fractions of constituents. In all analyses, spatial Fourier transform together with modal analysis are applied to compute displacement responses of the plates. A comparison of the results demonstrates the reliability ranges of the approximate plate theories for elastic wave propagation analysis in FGM plates. Furthermore, based on various examples, it is shown that whenever the plate theories are used within the appropriate ranges of plate thickness and frequency content, solution process in wave number-time domain based on modal analysis approach is not only sufficient but also efficient for finding the transient waveforms in FGM plates. Copyright © 2013 Elsevier B.V. All rights reserved.
The distribution of waves in the inner magnetosphere as a function of solar wind parameters
Aryan, Homayon; Balikhin, Michael A.; Agapitov, Oleksiy; Krasnoselskikh, Vladimir; Yearby, Keith
Energetic electrons within the Earth’s radiation belts represent a serious hazard to geostationary satellites. The interactions of electrons with chorus waves play an important role in both the acceleration and loss of radiation belt electrons. Studies of the evolution of energetic electron fluxes rely heavily on numerical codes in order to model energy and pitch angle diffusion due to electron interaction with plasma waves in the frame of quasilinear approximation. Application of these codes requires knowledge of statistical wave models to present wave distributions in the magnetosphere. A number of such models are based on CRESS, Cluster, THEMIS and other mission data. These models present wave distributions as a function of L-shell, magnetic local time, magnetic latitude and geomagnetic activity expressed by geomagnetic indices (Kp or Ae). However, it has been shown by G. Reeves and co-authors that only 50% of geomagnetic storms increase flux of relativistic electrons at GEO while 20% cause a decrease. This emphasizes the importance of including solar wind parameters in addition to geomagnetic indices. The present study examines almost four years (01, January, 2004 to 29, September, 2007) of STAFF (Spatio-Temporal Analysis of Field Fluctuation) data from Double Star TC1 combined with geomagnetic indices and solar wind parameters from OMNI database in order to present a comprehensive model of chorus wave intensities as a function of L-shell, magnetic local time, magnetic latitude, geomagnetic indices and solar wind parameters. The results show that chorus emission is not only sub-storm dependent but also dependent upon solar wind parameters with solar wind velocity evidently the most influential solar wind parameter. The largest peak intensities are observed for lower band chorus during active conditions, high solar wind velocity, low density and high pressure.
Snyder, D
2002-01-01
A straightforward explanation of fundamental tenets of quantum mechanics concerning the wave function results in the thesis that the quantum mechanical wave function is a link between human cognition and the physical world. The reticence on the part of physicists to adopt this thesis is discussed. A comparison is made to the behaviorists' consideration of mind, and the historical roots of how the problem concerning the quantum mechanical wave function arose are discussed. The basis for an empirical demonstration that the wave function is a link between human cognition and the physical world is provided through developing an experiment using methodology from psychology and physics. Based on research in psychology and physics that relied on this methodology, it is likely that Einstein, Podolsky, and Rosen's theoretical result that mutually exclusive wave functions can simultaneously apply to the same concrete physical circumstances can be implemented on an empirical level.
Peng, Liang-You; Gong, Qihuang
2010-12-01
The accurate computations of hydrogenic continuum wave functions are very important in many branches of physics such as electron-atom collisions, cold atom physics, and atomic ionization in strong laser fields, etc. Although there already exist various algorithms and codes, most of them are only reliable in a certain ranges of parameters. In some practical applications, accurate continuum wave functions need to be calculated at extremely low energies, large radial distances and/or large angular momentum number. Here we provide such a code, which can generate accurate hydrogenic continuum wave functions and corresponding Coulomb phase shifts at a wide range of parameters. Without any essential restrict to angular momentum number, the present code is able to give reliable results at the electron energy range [10,10] eV for radial distances of [10,10] a.u. We also find the present code is very efficient, which should find numerous applications in many fields such as strong field physics. Program summaryProgram title: HContinuumGautchi Catalogue identifier: AEHD_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHD_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 1233 No. of bytes in distributed program, including test data, etc.: 7405 Distribution format: tar.gz Programming language: Fortran90 in fixed format Computer: AMD Processors Operating system: Linux RAM: 20 MBytes Classification: 2.7, 4.5 Nature of problem: The accurate computation of atomic continuum wave functions is very important in many research fields such as strong field physics and cold atom physics. Although there have already existed various algorithms and codes, most of them can only be applicable and reliable in a certain range of parameters. We present here an accurate FORTRAN program for
Stability analysis and reconstruction of wave distribution functions in warm plasmas
International Nuclear Information System (INIS)
Oscarsson, T.E.
1989-05-01
The purpose of this thesis is first to describe stability analysis and reconstruction of the wave distribution function (WDF) separately, and then to show how the two approaches can be combined in an investigation of satellite data. To demonstrate the type of stability investigation that is often used in space physics we study instabilities below the local proton gyrofrequency which are caused by anisotropic proton distributions. Arbitrary angles between the wavevector and the background magnetic field are considered, and effects of warm plasma on the wave propagation properties are included. We also comment briefly given on an often-used scheme for classifying instabilities. In our discussion on WDF analysis we develop a completely new and general method for reconstructing the WDF. Our scheme can be used to reconstruct the distribution function of waves in warm as well as cold plasma. Doppler effects introduced by satellite motion are included, and the reconstructions can be performed over a broad frequency range simultaneously. The applicability of our new WDF reconstruction method is studied in model problems and in an application to observations made by the Swedish satellite Viking. In the application to Viking data we combine stability and WDF analyses in a unique way that promises to become an important tool in future studies of wave-particle interactions in space plasmas. (author)
Fermionic spectral functions in backreacting p-wave superconductors at finite temperature
Energy Technology Data Exchange (ETDEWEB)
Giordano, G.L.; Grandi, N.E.; Lugo, A.R. [Instituto de Física de La Plata - CONICET & Departamento de Física - UNLP,C.C. 67, 1900 La Plata (Argentina)
2017-04-14
We investigate the spectral function of fermions in a p-wave superconducting state, at finite both temperature and gravitational coupling, using the AdS/CFT correspondence and extending previous research. We found that, for any coupling below a critical value, the system behaves as its zero temperature limit. By increasing the coupling, the “peak-dip-hump” structure that characterizes the spectral function at fixed momenta disappears. In the region where the normal/superconductor phase transition is first order, the presence of a non-zero order parameter is reflected in the absence of rotational symmetry in the fermionic spectral function at the critical temperature.
Measurement as absorption of Feynman trajectories: Collapse of the wave function can be avoided
International Nuclear Information System (INIS)
Marchewka, A.; Schuss, Z.
2002-01-01
We define a measuring device (detector) of the coordinate of quantum particle as an absorbing wall that cuts off the particle's wave function. The wave function in the presence of such a detector vanishes on the detector. The trace the absorbed particles leave on the detector is identified as the absorption current density on the detector. This density is calculated from the solution of Schroedinger's equation with a reflecting boundary at the detector. This current density is not the usual Schroedinger current density. We define the probability distribution of the time of arrival to a detector in terms of the absorption current density. We define coordinate measurement by an absorbing wall in terms of four postulates. In the resulting theory the quantum-mechanical collapse of the wave function is replaced with the usual collapse of the probability distribution after observation. Two measurement experiments are proposed to measure time of arrival and the probability density function of a freely propagating two-dimensional Gaussian packet from the measurement of the absorption current on two planes
Hartle-Hawking wave function and large-scale power suppression of CMB*
Directory of Open Access Journals (Sweden)
Yeom Dong-han
2018-01-01
Full Text Available In this presentation, we first describe the Hartle-Hawking wave function in the Euclidean path integral approach. After we introduce perturbations to the background instanton solution, following the formalism developed by Halliwell-Hawking and Laflamme, one can obtain the scale-invariant power spectrum for small-scales. We further emphasize that the Hartle-Hawking wave function can explain the large-scale power suppression by choosing suitable potential parameters, where this will be a possible window to confirm or falsify models of quantum cosmology. Finally, we further comment on possible future applications, e.g., Euclidean wormholes, which can result in distinct signatures to the power spectrum.
High energy QCD at NLO: from light-cone wave function to JIMWLK evolution
Lublinsky, Michael; Mulian, Yair
2017-05-01
Soft components of the light cone wave-function of a fast moving projectile hadron is computed in perturbation theory to the third order in QCD coupling constant. At this order, the Fock space of the soft modes consists of one-gluon, two-gluon, and a quark-antiquark states. The hard component of the wave-function acts as a non-Abelian background field for the soft modes and is represented by a valence charge distribution that accounts for non-linear density effects in the projectile. When scattered off a dense target, the diagonal element of the S-matrix reveals the Hamiltonian of high energy evolution, the JIMWLK Hamiltonian. This way we provide a new direct derivation of the JIMWLK Hamiltonian at the Next-to-Leading Order.
Application of numerical methods to the determination of molecular wave functions
International Nuclear Information System (INIS)
Douady, Jerome
1969-01-01
A simplified SCF Method is developed. The wave function of molecular systems and spin densities in the case of free radicals are computed from geometrical data. This method, including at the beginning a delocalization of electrons over all the molecular system, two methods which clear out bonding and anti-bonding interactions have been studied and programmed: a) overlap population analysis, b) localisation of molecular orbitals. These methods have been carried out in the case of organic compounds and free radicals. (author) [fr
Construction of exact solutions to a family of wave equations by the functional variable method
Zerarka, A.; Ouamane, S.; Attaf, A.
2011-02-01
The method developed in this work uses an alternative functional variable method to construct exact travelling solutions to a class of nonlinear wave equations. It is shown that it is possible to obtain by a direct treatment the general solutions to some important nonlinear model equations which arise in a wide variety of physical problems. We have also presented some interesting typical examples to illustrate the application of this method.
Nucleon wave functions from lattice gauge theories: Renormalisation of baryonic operators
International Nuclear Information System (INIS)
Richards, D.G.; Sachrajda, C.T.; Scott, C.J.
1987-01-01
We study the 3-quark operators which govern the short-distance and light-cone properties of the proton's wave function. In particular we obtain expressions for the matrix elements of these operators in a continuum renormalisation scheme in terms of those measured on a lattice. These matrix elements, which are not calculable in perturbative QCD, are required for the predictions of hard exclusive processes and in the calculation of the proton's lifetime in grand unified theories. (orig.)
Renormalization-group decimation technique for spectra, wave-functions and density of states
International Nuclear Information System (INIS)
Wiecko, C.; Roman, E.
1983-09-01
The Renormalization Group decimation technique is very useful for problems described by 1-d nearest neighbour tight-binding model with or without translational invariance. We show how spectra, wave-functions and density of states can be calculated with little numerical work from the renormalized coefficients upon iteration. The results of this new procedure are verified using the model of Soukoulis and Economou. (author)
Joint resummation for pion wave function and pion transition form factor
Energy Technology Data Exchange (ETDEWEB)
Li, Hsiang-nan [Institute of Physics, Academia Sinica,Academia Rd., Taipei, Taiwan 115 (China); Department of Physics, National Cheng-Kung University,University Rd., Tainan, Taiwan 701 (China); Department of Physics, National Tsing-Hua University,Kuang-Fu Rd., Hsinchu, Taiwan 300 (China); Shen, Yue-Long [College of Information Science and Engineering, Ocean University of China,Songling Rd, Qingdao, Shandong 266100 (China); Wang, Yu-Ming [Institut für Theoretische Teilchenphysik und Kosmologie RWTH Aachen,Physikzentrum Otto-Blumenthal-Straße, D-52056 Aachen (Germany); Physik Department T31, Technische Universität München,James-Franck-Straße, D-85748 Garching (Germany)
2014-01-03
We construct an evolution equation for the pion wave function in the k{sub T} factorization formalism, whose solution sums the mixed logarithm ln xln k{sub T} to all orders, with x (k{sub T}) being a parton momentum fraction (transverse momentum). This joint resummation induces strong suppression of the pion wave function in the small x and large b regions, b being the impact parameter conjugate to k{sub T}, and improves the applicability of perturbative QCD to hard exclusive processes. The above effect is similar to those from the conventional threshold resummation for the double logarithm ln{sup 2} x and the conventional k{sub T} resummation for ln{sup 2} k{sub T}. Combining the evolution equation for the hard kernel, we are able to organize all large logarithms in the γ{sup ∗}π{sup 0}→γ scattering, and to establish a scheme-independent k{sub T} factorization formula. It will be shown that the significance of next-to-leading-order contributions and saturation behaviors of this process at high energy differ from those under the conventional resummations. It implies that QCD logarithmic corrections to a process must be handled appropriately, before its data are used to extract a hadron wave function. Our predictions for the involved pion transition form factor, derived under the joint resummation and the input of a non-asymptotic pion wave function with the second Gegenbauer moment a{sub 2}=0.05, match reasonably well the CLEO, BaBar, and Belle data.
Comultiplication in ABCD algebra and scalar products of Bethe wave functions
International Nuclear Information System (INIS)
Mikhailov, A.
1995-01-01
The representation of scalar products of Bethe wave functions in terms of dual fields, plays an important role in the theory of completely integrable models. The proof is based on the explicit expression for the open-quotes seniorclose quotes coefficient, which was guessed in the Izergin paper and then proved to satisfy some recurrent relations, which determine it unambiguously. In this paper we present an alternative proof based on direct computation. It uses the operation of comultiplication in the ABCD-algebra
Studies on eletron scattering by hydrogen atoms through of a correlationed wave function
International Nuclear Information System (INIS)
Jacchieri, S.G.
1982-01-01
A correlationed wave function dependent of two adjustable parameters ( α e β), aiming describe a system formed by an electron and a hydrogen atom is studied. Some elastic differential cross-sections for several values of α and β parameters, scattering angle of 2 0 to 140 0 and energies of 50 eV and 680 eV are presented. (M.J.C.) [pt
P- and S-wave Receiver Function Imaging with Scattering Kernels
Hansen, S. M.; Schmandt, B.
2017-12-01
Full waveform inversion provides a flexible approach to the seismic parameter estimation problem and can account for the full physics of wave propagation using numeric simulations. However, this approach requires significant computational resources due to the demanding nature of solving the forward and adjoint problems. This issue is particularly acute for temporary passive-source seismic experiments (e.g. PASSCAL) that have traditionally relied on teleseismic earthquakes as sources resulting in a global scale forward problem. Various approximation strategies have been proposed to reduce the computational burden such as hybrid methods that embed a heterogeneous regional scale model in a 1D global model. In this study, we focus specifically on the problem of scattered wave imaging (migration) using both P- and S-wave receiver function data. The proposed method relies on body-wave scattering kernels that are derived from the adjoint data sensitivity kernels which are typically used for full waveform inversion. The forward problem is approximated using ray theory yielding a computationally efficient imaging algorithm that can resolve dipping and discontinuous velocity interfaces in 3D. From the imaging perspective, this approach is closely related to elastic reverse time migration. An energy stable finite-difference method is used to simulate elastic wave propagation in a 2D hypothetical subduction zone model. The resulting synthetic P- and S-wave receiver function datasets are used to validate the imaging method. The kernel images are compared with those generated by the Generalized Radon Transform (GRT) and Common Conversion Point stacking (CCP) methods. These results demonstrate the potential of the kernel imaging approach to constrain lithospheric structure in complex geologic environments with sufficiently dense recordings of teleseismic data. This is demonstrated using a receiver function dataset from the Central California Seismic Experiment which shows several
Bischoff, Florian A; Valeev, Edward F
2011-03-14
Here we report a formulation of the Hartree-Fock method in an adaptive multiresolution basis set of spectral element type. A key feature of our approach is the use of low-order tensor approximations for operators and wave functions to reduce the steep rise of storage and computational costs with the number of degrees of freedom that plague finite element computations. As a proof of principle we implemented Hartree-Fock method without explicit storage of the full-dimensional wave function and with guaranteed precision (microhartree precision for up to 14 electron systems is demonstrated). Even for the one-electron method the use of low-order tensor approximation reduces storage relative to the full representation, albeit with modest increase in cost. Preliminary tests for explicitly-correlated two-electron (six-dimensional) wave function suggest a factor of 50 savings in storage. At least correlated two-electron methods should be feasible with our approach on modern workstations with guaranteed precision.
9Be scattering with microscopic wave functions and the continuum-discretized coupled-channel method
Descouvemont, P.; Itagaki, N.
2018-01-01
We use microscopic 9Be wave functions defined in a α +α +n multicluster model to compute 9Be+target scattering cross sections. The parameter sets describing 9Be are generated in the spirit of the stochastic variational method, and the optimal solution is obtained by superposing Slater determinants and by diagonalizing the Hamiltonian. The 9Be three-body continuum is approximated by square-integral wave functions. The 9Be microscopic wave functions are then used in a continuum-discretized coupled-channel (CDCC) calculation of 9Be+208Pb and of 9Be+27Al elastic scattering. Without any parameter fitting, we obtain a fair agreement with experiment. For a heavy target, the influence of 9Be breakup is important, while it is weaker for light targets. This result confirms previous nonmicroscopic CDCC calculations. One of the main advantages of the microscopic CDCC is that it is based on nucleon-target interactions only; there is no adjustable parameter. The present work represents a first step towards more ambitious calculations involving heavier Be isotopes.
On wave functions of mesons involving the s-, c- and b-quarks
International Nuclear Information System (INIS)
Zhitnitskij, A.R.; Zhitnitskij, I.R.; Chernyak, V.L.
1983-01-01
The wave function components of pseudoscalar and vestor mesons which are antisymmertric with respect to permutation of the quark momenta are studied. The results are as follows: elt xsub(s)-xsub(u) > sub(K) approximately equal to 0.11 for the K meson, sub(K*) approximately equal to 0.15-C.20 for the K* meson, being a mean fraction of the longitudinal momentum transferred by the s(u) quark. The following estimates are obtained: / approximately equal to 0.20-0.25; / approximately equal to 0.8x10 -2 . The asymptotics of the K 0 -meson form factor and the etasub(c) → KK* decay width are found. Properties of the wave functions of mesons which contain a light and a heavy quark (D, B, ...) are considered. For the B 0 meson approximately equal to 0.10 is found. Arguments are given supporting nonenhancement of the amplitudes of the processes involving D mesons compared to similar K-meson amplitudes. A simple way is suggested to determine the asymptotic form of various wave functions
International Nuclear Information System (INIS)
Wyatt, Robert E.; Kouri, Donald J.; Hoffman, David K.
2000-01-01
The quantum trajectory method (QTM) was recently developed to solve the hydrodynamic equations of motion in the Lagrangian, moving-with-the-fluid, picture. In this approach, trajectories are integrated for N fluid elements (particles) moving under the influence of both the force from the potential surface and from the quantum potential. In this study, distributed approximating functionals (DAFs) are used on a uniform grid to compute the necessary derivatives in the equations of motion. Transformations between the physical grid where the particle coordinates are defined and the uniform grid are handled through a Jacobian, which is also computed using DAFs. A difficult problem associated with computing derivatives on finite grids is the edge problem. This is handled effectively by using DAFs within a least squares approach to extrapolate from the known function region into the neighboring regions. The QTM-DAF is then applied to wave packet transmission through a one-dimensional Eckart potential. Emphasis is placed upon computation of the transmitted density and wave function. A problem that develops when part of the wave packet reflects back into the reactant region is avoided in this study by introducing a potential ramp to sweep the reflected particles away from the barrier region. (c) 2000 American Institute of Physics
Working With the Wave Equation in Aeroacoustics: The Pleasures of Generalized Functions
Farassat, F.; Brentner, Kenneth S.; Dunn, mark H.
2007-01-01
The theme of this paper is the applications of generalized function (GF) theory to the wave equation in aeroacoustics. We start with a tutorial on GFs with particular emphasis on viewing functions as continuous linear functionals. We next define operations on GFs. The operation of interest to us in this paper is generalized differentiation. We give many applications of generalized differentiation, particularly for the wave equation. We discuss the use of GFs in finding Green s function and some subtleties that only GF theory can clarify without ambiguities. We show how the knowledge of the Green s function of an operator L in a given domain D can allow us to solve a whole range of problems with operator L for domains situated within D by the imbedding method. We will show how we can use the imbedding method to find the Kirchhoff formulas for stationary and moving surfaces with ease and elegance without the use of the four-dimensional Green s theorem, which is commonly done. Other subjects covered are why the derivatives in conservation laws should be viewed as generalized derivatives and what are the consequences of doing this. In particular we show how we can imbed a problem in a larger domain for the identical differential equation for which the Green s function is known. The primary purpose of this paper is to convince the readers that GF theory is absolutely essential in aeroacoustics because of its powerful operational properties. Furthermore, learning the subject and using it can be fun.
Stahlschmidt, Z R; French, S S; Ahn, A; Webb, A; Butler, M W
Animals will continue to encounter increasingly warm environments, including more frequent and intense heat waves. Yet the physiological consequences of heat waves remain equivocal, potentially because of variation in adaptive plasticity (reversible acclimation) and/or aspects of experimental design. Thus, we measured a suite of physiological variables in the corn snake (Pantherophis guttatus) after exposure to field-parameterized, fluctuating temperature regimes (moderate temperature and heat wave treatments) to address two hypotheses: (1) a heat wave causes physiological stress, and (2) thermal performance of immune function exhibits adaptive plasticity in response to a heat wave. We found little support for our first hypothesis because a simulated heat wave had a negative effect on body mass, but it also reduced oxidative damage and did not affect peak performance of three immune metrics. Likewise, we found only partial support for our second hypothesis. After exposure to a simulated heat wave, P. guttatus exhibited greater performance breadth and reduced temperature specialization (the standardized difference between peak performance and performance breadth) for only one of three immune metrics and did so in a sex-dependent manner. Further, a simulated heat wave did not elicit greater performance of any immune metric at higher temperatures. Yet a heat wave likely reduced innate immune function in P. guttatus because each metric of innate immune performance in this species (as in most vertebrates) was lower at elevated temperatures. Together with previous research, our study indicates that a heat wave may have complex, modest, and even positive physiological effects in some taxa.
Mitri, Farid
2014-11-01
The generalized theory of resonance scattering (GTRS) by an elastic spherical target in acoustics is extended to describe the arbitrary scattering of a finite beam using the addition theorem for the spherical wave functions of the first kind under a translation of the coordinate origin. The advantage of the proposed method over the standard discrete spherical harmonics transform previously used in the GTRS formalism is the computation of the off-axial beam-shape coefficients (BSCs) stemming from a closed-form partial-wave series expansion representing the axial BSCs in spherical coordinates. With this general method, the arbitrary acoustical scattering can be evaluated for any particle shape and size, whether the particle is partially or completely illuminated by the incident beam. Numerical examples for the axial and off-axial resonance scattering from an elastic sphere placed arbitrarily in the field of a finite circular piston transducer with uniform vibration are provided. Moreover, the 3-D resonance directivity patterns illustrate the theory and reveal some properties of the scattering. Numerous applications involving the scattering phenomenon in imaging, particle manipulation, and the characterization of multiphase flows can benefit from the present analysis because all physically realizable beams radiate acoustical waves from finite transducers as opposed to waves of infinite extent.
A theoretical analysis of anatomical and functional intestinal slow wave re-entry.
Du, Peng; O'Grady, Gregory; Cheng, Leo K
2017-07-21
Intestinal bioelectrical slow waves are a key regulator of intestinal motility. Peripheral pacemakers, ectopic initiations and sustained periods of re-entrant activities have all been experimentally observed to be important factors in setting the frequency of intestinal slow waves, but the tissue-level mechanisms underpinning these activities are unclear. This theoretical analysis aimed to define the initiation, maintenance, and termination criteria of two classes of intestinal re-entrant activities: anatomical re-entry and functional re-entry. Anatomical re-entry was modeled in a three-dimensional (3D) cylindrical model, and functional rotor was modeled in a 2D rectangle model. A single-pulse stimulus was used to invoke an anatomical re-entry and a prolonged refractory block was used to invoke the rotor. In both cases, the simulated re-entrant activities operated at frequencies above the baseline entrainment frequency. The anatomical re-entry simulation results demonstrated that a temporary functional refractory block would be required to initiate the re-entrant activity in a single direction around the cylindrical model. The rotor could be terminated by a single-pulse stimulus delivered around the core of the rotor. In conclusion, the simulation results provide the following new insights into the mechanisms of intestinal re-entry: (i) anatomical re-entry is only maintained within a specific range of velocities, outside of which the re-entrant activities become either an ectopic activity or simultaneous activations of the intestinal wall; (ii) a maintained rotor entrained slow waves faster in the antegrade direction than in the retrograde direction. Simulations are shown to be a valuable tool for achieving novel insights into the mechanisms of intestinal slow wave dysrhythmia. Copyright © 2017 Elsevier Ltd. All rights reserved.
Badawy, Ahmed; Hegazi, Mona; Gaber, Hanan; Korrat, Ibrahim
2018-01-01
In this study, we used a combined inversion of body wave receiver functions and surface wave dispersion measurements to provide constraints on the crustal structure of northern Egypt. The two techniques are complementary to each other: receiver functions (RFs) are sensitive to shear-wave velocity contrasts, while surface wave dispersion (SWD) measurements are sensitive to finite variations of shear-wave velocity with depth. A database of 122 teleseismic events digitally recorded by the Egyptian National Seismological Network (ENSN) stations has been used as well. To enhance the resulting RFs at each ENSN station, the H-k stacking method was applied. A joint inversion process between the resulting receiver functions and the surface wave dispersion curves was applied as well. We have produced three averaged velocity structure models for distinct geographic and tectonic provinces namely Sinai, eastern desert, and western desert from east to the west respectively. These models will deeply help in estimation the epicenter distance of earthquake, focal mechanism solutions, and earthquake hazard analysis in northern Egypt. An obvious image of the subsurface structure has been determined which shows that generally the crustal structure of northern Egypt consists of three layers covered with a sequence of sediments that differs in thickness from across the region except in the Sharm area where the sedimentary cover is absent. The obtained results indicate that crustal thickness differs from east to west and reaches its maximum value of about 36 km at Siwa station (SWA) in the western desert and its minimum value of about 28 km at Sharm station (SHR) of the southern tip of the Sinai Peninsula. The Vp/Vs ratio varies between 1.71 and 2.07 in northern Egypt. Generally, the high values (1.93) of (Vp/Vs) at SWA station may reflect the well-known rich aquifer with fully saturated sediments of the Swia Oasis in the Western Desert. Moreover, the highest value (2.07) of (Vp/Vs) at
Scattering of waves by a half-space of periodic scatterers using broadband Green's function.
Tan, Shurun; Tsang, Leung
2017-11-15
An efficient scatterer-free full-wave solution for plane wave scattering from a half-space of two-dimensional (2D) periodic scatterers is derived using broadband Green's function. The Green's function is constructed using band solutions of the infinite periodic structure, and it satisfies boundary conditions on all the scatterers. A low wavenumber extraction technique is applied to the Green's function to accelerate the convergence of the modal expansion. This facilitates the Green's function with low wavenumber extraction (BBGFL) to be evaluated over a broadband as the modal solutions are independent of wavenumber. Coupled surface integral equations (SIE) are constructed using the BBGFL and the free-space Green's function respectively for the two half-spaces with unknowns only on the interface. The method is distinct from the effective medium approach which represents the periodic scatters with an effective medium. This new approach provides accurate near-field solutions around the interface with localized field patterns useful for surface plasmon polaritons and topological edge states examinations.
Mizuse, Kenta; Chizuwa, Nao; Ikeda, Dai; Imajo, Takashi; Ohshima, Yasuhiro
2018-01-31
Here we report the dissociative ionization imaging of electronically excited nitric oxide (NO) molecules to visualize rotational wave functions in the electronic excited state (A 2 Σ + ). The NO molecules were excited to a single rotational energy eigenstate in the first electronic excited state by a resonant nanosecond ultraviolet pulse. The molecules were then irradiated by a strong, circularly polarized femtosecond imaging pulse. Spatial distribution of the ejected N + and O + fragment ions from the dissociative NO 2+ was recorded as a direct measure of the molecular axis distribution using a high-resolution slice ion imaging apparatus. The circularly polarized probe pulse realizes the isotropic ionization and thus undistorted shapes of the functions can be visualized. Due to the higher ionization efficiency of the excited molecules relative to the ground state ones, signals from the excited NO were enhanced. We can, therefore, extract shapes of the square of rotational wave functions in the electronic excited state although the unexcited ground state molecules are the majority in an ensemble. The observed images show s-function-like and p-function-like shapes depending on the excitation wavelengths. These shapes well reflect the rotational (angular momentum) character of the prepared states. The present approach directly leads to the evaluation method of the molecular axis alignment in photo-excited ensembles, and it could also lead to a visualization method for excited state molecular dynamics.
Rayleigh wave behavior in functionally graded magneto-electro-elastic material
Ezzin, Hamdi; Mkaoir, Mohamed; Amor, Morched Ben
2017-12-01
Piezoelectric-piezomagnetic functionally graded materials, with a gradual change of the mechanical and electromagnetic properties have greatly applying promises. Based on the ordinary differential equation and stiffness matrix methods, a dynamic solution is presented for the propagation of the wave on a semi-infinite piezomagnetic substrate covered with a functionally graded piezoelectric material (FGPM) layer. The materials properties are assumed to vary in the direction of the thickness according to a known variation law. The phase and group velocity of the Rayleigh wave is numerically calculated for the magneto-electrically open and short cases, respectively. The effect of gradient coefficients on the phase velocity, group velocity, coupled magneto-electromechanical factor, on the stress fields, the magnetic potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the hetero-structure PZT-5A/CoFe2O4; the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Rayleigh wave propagation behavior.
Application of Wave Distribution Function Method to the ERG/PWE Data
Ota, M.; Kasahara, Y.; Matsuda, S.; Kojima, H.; Matsuoka, A.; Hikishima, M.; Kasaba, Y.; Ozaki, M.; Yagitani, S.; Tsuchiya, F.; Kumamoto, A.
2017-12-01
The ERG (Arase) satellite was launched on 20 December 2016 to study acceleration and loss mechanisms of relativistic electrons in the Earth's magnetosphere. The Plasma Wave Experiment (PWE), which is one of the science instruments on board the ERG satellite, measures electric field and magnetic field. The PWE consists of three sub-systems; EFD (Electric Field Detector), OFA/WFC (Onboard Frequency Analyzer and Waveform Capture), and HFA (High Frequency Analyzer).The OFA/WFC measures electromagnetic field spectra and raw waveforms in the frequency range from few Hz to 20 kHz. The OFA produces three kind of data; OFA-SPEC (power spectrum), OFA-MATRIX (spectral matrix), and OFA-COMPLEX (complex spectrum). The OFA-MATRIX measures ensemble averaged complex cross-spectra of two electric field components, and of three magnetic field components. The OFA-COMPLEX measures instantaneous complex spectra of electric and magnetic fields. These data are produced every 8 seconds in the nominal mode, and it can be used for polarization analysis and wave propagation direction finding.In general, spectral matrix composed by cross-spectra of observed signals is used for direction finding, and many algorithms have been proposed. For example, Means method and SVD method can be applied on the assumption that the spectral matrix is consists of a single plane wave, while wave distribution function (WDF) method is applicable even to the data in which multiple numbers of plane waves are simultaneously included. In this presentation, we introduce the results when the WDF method is applied to the ERG/PWE data.
Gomes, André Severo Pereira; Jacob, Christoph R; Visscher, Lucas
2008-09-21
We present a simple and efficient embedding scheme for the wave-function based calculation of the energies of local excitations in large systems. By introducing an embedding potential obtained from density-functional theory (DFT) it is possible to describe the effect of an environment on local excitations of an embedded system in wave-function theory (WFT) calculations of the excitation energies. We outline the implementation of such a WFT-in-DFT embedding procedure employing the ADF, Dalton and DIRAC codes, where the embedded subsystem is treated with coupled cluster methods. We then evaluate this procedure in the calculation of the solvatochromic shift of acetone in water and of the f-f spectrum of NpO22+ embedded in a Cs2UO2Cl4 crystal and find that our scheme does effectively incorporate the environment effect in both cases. A particularly interesting finding is that with our embedding scheme we can model the equatorial Cl- ligands in NpO2Cl42- quite accurately, compared to a fully wavefunction-based calculation, and this opens up the possibility of modeling the interaction of different ligands to actinyl species with relatively high accuracy but at a much reduced computational cost.
Surface Acoustic Wave (SAW-Enhanced Chemical Functionalization of Gold Films
Directory of Open Access Journals (Sweden)
Gina Greco
2017-10-01
Full Text Available Surface chemical and biochemical functionalization is a fundamental process that is widely applied in many fields to add new functions, features, or capabilities to a material’s surface. Here, we demonstrate that surface acoustic waves (SAWs can enhance the chemical functionalization of gold films. This is shown by using an integrated biochip composed by a microfluidic channel coupled to a surface plasmon resonance (SPR readout system and by monitoring the adhesion of biotin-thiol on the gold SPR areas in different conditions. In the case of SAW-induced streaming, the functionalization efficiency is improved ≈ 5 times with respect to the case without SAWs. The technology here proposed can be easily applied to a wide variety of biological systems (e.g., proteins, nucleic acids and devices (e.g., sensors, devices for cell cultures.
Shen, Xiaoqin; Ren, Dawei; Cao, Xiaoshan; Wang, Ji
2018-03-01
In this study, cut-off frequencies of the circumferential SH waves in functionally graded piezoelectric-piezomagnetic material (FGPPM) cylinder shells with traction free, electrical and magnetic open boundary conditions are investigated analytically. The Wentzel-Kramers-Brillouin (WKB) method is employed for solving differential equations with variable coefficients for general cases. For comparison, Bessel functions and Kummer functions are used for solving cut-off frequency problems in homogenous and ideal FGPPM cylinder shells. It is shown that the WKB solution for the cut-off frequencies has good precise. The set of cut-off frequencies is a series of approximate arithmetic progressions, for which the difference is a function of the density and the effective elastic parameter. The relationship between the difference and the gradient coefficient is described. These results provide theoretical guidance for the non-destructive evaluation of curved shells based on the cut-off frequencies. Copyright © 2017 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Evers, Joerg; Qamar, Shahid; Zubairy, M. Suhail
2007-01-01
We discuss localization and center-of-mass wave-function measurement of a quantum particle using multiple simultaneous dispersive interactions of the particle with different standing-wave fields. In particular, we consider objects with an internal structure consisting of a single ground state and several excited states. The transitions between ground and the corresponding excited states are coupled to the light fields in the dispersive limit, thus giving rise to a phase shift of the light field during the interaction. We show that multiple simultaneous measurements allow both an increase in the measurement or localization precision in a single direction and the performance of multidimensional measurements or localization. Further, we show that multiple measurements may relax the experimental requirements for each individual measurement
Lithosphere structure in Madagascar as revealed from receiver functions and surface waves analysis.
Rindraharisaona, E. J.; Tilmann, F. J.; Yuan, X.; Dreiling, J.; Priestley, K. F.; Barruol, G.; Wysession, M. E.
2017-12-01
The geological history of Madagascar makes it an ideal place to study the lithospheric structure and its evolution. It comprises Archean to Proterozoic units on the central eastern part, which is surrounded by a Triassic to Jurassic basin formation in the west and Cretaceous volcanics along the coasts. Quaternary volcanic rocks have been embedded in crystalline and sedimentary rocks. The aim of the present work is to characterize the crustal structure and determine the imprint of the dominant geodynamic events that have affected Madagascar: the Pan-African orogeny, the breakup of Gondwanaland and Neogene tectonic activity. From 2011 to 2014 different temporary seismic arrays were deployed in Madagascar. We based the current study mostly on SELASOMA project, which is composed of 50 seismic stations that were installed traversing southern Madagascar from the west to the east, sampling the different geological units. To measured seismic dispersion curves, one a wide period ranges using ambient noise, Rayleigh and Love surface waves. To compute the average crustal Vp/Vs ratio internal crustal structure and discontinuities in the mantle, we use both P- and S-waves receiver functions. To better resolve of the crustal structure, we jointly inverted P-wave receiver functions and Rayleigh wave group velocity.The crustal extension during the Carboniferous to Cenozoic has thinned the igneous crust down to 15 km in the western Morondava basin by removing much of the lower crust, while the thickness of the upper crust is nearly identical in the sedimentary basin and under Proterozoic and Archaean rocks of the eastern two thirds of Southern Madagascar. In general, the Archean crust is thicker than the Proterozoic, because mafic component is missing in the Proterozoic domain while it forms the bottom of the Archean crust. The lithosphere thickness in the southern part of Madagascar is estimated to be between 90 and 125 km.
Love waves in functionally graded piezoelectric materials by stiffness matrix method.
Ben Salah, Issam; Wali, Yassine; Ben Ghozlen, Mohamed Hédi
2011-04-01
A numerical matrix method relative to the propagation of ultrasonic guided waves in functionally graded piezoelectric heterostructure is given in order to make a comparative study with the respective performances of analytical methods proposed in literature. The preliminary obtained results show a good agreement, however numerical approach has the advantage of conceptual simplicity and flexibility brought about by the stiffness matrix method. The propagation behaviour of Love waves in a functionally graded piezoelectric material (FGPM) is investigated in this article. It involves a thin FGPM layer bonded perfectly to an elastic substrate. The inhomogeneous FGPM heterostructure has been stratified along the depth direction, hence each state can be considered as homogeneous and the ordinary differential equation method is applied. The obtained solutions are used to study the effect of an exponential gradient applied to physical properties. Such numerical approach allows applying different gradient variation for mechanical and electrical properties. For this case, the obtained results reveal opposite effects. The dispersive curves and phase velocities of the Love wave propagation in the layered piezoelectric film are obtained for electrical open and short cases on the free surface, respectively. The effect of gradient coefficients on coupled electromechanical factor, on the stress fields, the electrical potential and the mechanical displacement are discussed, respectively. Illustration is achieved on the well known heterostructure PZT-5H/SiO(2), the obtained results are especially useful in the design of high-performance acoustic surface devices and accurately prediction of the Love wave propagation behaviour. Copyright Â© 2010 Elsevier B.V. All rights reserved.
Lithospheric Structure across the Alaskan Cordillera from Surface Waves and Receiver Functions
Ward, K. M.; Lin, F. C.
2017-12-01
The long awaited Transportable Array (TA) deployment in Alaska and western Canada is nearing its final deployment stage. With only one more deployment season, most of the TA station locations have been occupied and begun providing data. These TA stations combined with upgraded existing locations have provided enough high-quality data to begin investigating the crustal and upper mantle structure across the entire Alaskan Cordillera. From a tectonic standpoint, many interesting questions remain unanswered. For example, how does the transition from oceanic-oceanic subduction to continental-oceanic normal subduction to continental-oceanic "flat-slab" subduction to strike-slip conservative plate motion affect the deformation/uplift of the overriding plate and mantle geodynamic characteristics? How does the long and completed terrene accretion process partition stress/strain in the crust? On more local scales, are there any significant mid-crustal magmatic systems as observed in other sections of the American Cordillera, and if so, what is there role in uplift and crustal deformation? Our approach to investigating these questions is though surface wave imaging from ambient noise and earthquake generated sources along with Rayleigh wave ellipticity paired with Ps receiver functions. Our preliminary tomography results agree with previous studies but expand the spatial coverage showing additional detail. Our ellipticity results show a heterogeneous but spatially consistent anisotropic shallow crust. Although the complete TA data set has not yet been collected, we have jointly inverted surface waves with receiver functions for a 3-D shear-wave velocity model across the entire Alaskan Cordillera. Key features of our velocity model include a high-velocity feature in the upper mantle associated with the subducting Pacific plate that extends north of the seismicity used to contour the geometry of the slab and mid-crustal low-velocity zones associated with the active volcanics in
International Nuclear Information System (INIS)
Guslienko, Konstantin Y.; Slavin, Andrei N.
2011-01-01
We present derivation of the magnetostatic Green's functions used in calculations of spin-wave spectra of finite-size non-ellipsoidal (rectangular) magnetic elements. The elements (dots) are assumed to be single domain particles having uniform static magnetization. We consider the case of flat dots, when the in-plane dot size is much larger than the dot height (film thickness), and assume the uniform distribution of the variable magnetization along the dot height. The limiting cases of magnetic waveguides with rectangular cross-section and thin magnetic stripes are also considered. The developed method of tensorial Green's functions is used to solve the Maxwell equations in the magnetostatic limit, and to represent the Landau-Lifshitz equation of motion for the magnetization of a magnetic element in a closed integro-differential form. - Highlights: → The Green's functions method is used to solve the magnetostatic equations. → Explicit Green's functions are written for thin magnetic dots and stripes. → Spin-wave frequencies for finite rectangular magnetic elements are calculated.
Directory of Open Access Journals (Sweden)
Joel Singer
Full Text Available OBJECTIVES: Pulse wave velocity (PWV is a measure of arterial stiffness and its increase with ageing has been associated with damage to cerebral microvessels and cognitive impairment. This study examined the relationship between carotid-femoral PWV and specific domains of cognitive function in a non-demented elderly sample. METHOD: Data were drawn from the Sydney Memory and Ageing Study, a cohort study of non-demented community-dwelling individuals aged 70-90 years, assessed in successive waves two years apart. In Wave 2, PWV and cognitive function were measured in 319 participants. Linear regression was used to analyse the cross-sectional relationship between arterial stiffness and cognitive function in the whole sample, and separately for men and women. Analysis of covariance was used to assess potential differences in cognition between subjects with PWV measurements in the top and bottom tertiles of the cohort. Covariates were age, education, body mass index, pulse rate, systolic blood pressure, cholesterol, depression, alcohol, smoking, hormone replacement therapy, apolipoprotein E ε4 genotype, use of anti-hypertensive medications, history of stroke, transient ischemic attack, myocardial infarction, angina, diabetes, and also sex for the whole sample analyses. RESULTS: There was no association between PWV and cognition after Bonferroni correction for multiple testing. When examining this association for males and females separately, an association was found in males, with higher PWV being associated with lower global cognition and memory, however, a significant difference between PWV and cognition between males and females was not found. CONCLUSION: A higher level of PWV was not associated with lower cognitive function in the whole sample.
Directory of Open Access Journals (Sweden)
Dong-Wook Lee
2010-10-01
Full Text Available Angle resolved photoemission spectroscopy (ARPES is a powerful tool to investigate electronic structures in solids and has been widely used in studying various materials. The electronic structure information by ARPES is obtained in the momentum space. However, in the case of one-dimensional system, we here show that we extract the real space information from ARPES data taken over multiple Brillouin zones (BZs. Intensities in the multiple BZs are proportional to the photoemission matrix element which contains information on the coefficient of the Bloch wave function. It is shown that the Bloch wave function coefficients can be extracted from ARPES data, which allows us to construct the real space wave function. As a test, we use ARPES data from proto-typical one-dimensional system SrCuO2 and construct the real space wave function.
An EPR experiment testing the non-separability of the $K^{0} \\overline{K^{0}}$ wave function
Apostolakis, Alcibiades J; Backenstoss, Gerhard; Bargassa, P; Behnke, O; Benelli, A; Bertin, V; Blanc, F; Bloch, P; Carlson, P J; Carroll, M; Cawley, E; Chardin, G; Chertok, M B; Cody, A; Dejardin, M; Derré, J; Ealet, A; Eleftheriadis, C; Ferreira-Marques, R; Fetscher, W; Fidecaro, Maria; Filipcic, A; Francis, D; Fry, J; Gabathuler, Erwin; Gamet, R; Gerber, H J; Go, A; Guyot, C; Haselden, A; Hayman, P J; Henry-Coüannier, F; Hollander, R W; Hubert, E; Jon-And, K; Kettle, P R; Kochowski, Claude; Kokkas, P; Kreuger, R; Le Gac, R; Leimgruber, F; Mandic, I; Manthos, N; Marel, Gérard; Mikuz, M; Miller, J; Montanet, François; Müller, A; Nakada, Tatsuya; Pagels, B; Papadopoulos, I M; Pavlopoulos, P; Policarpo, Armando; Polivka, G; Rickenbach, R; Roberts, B L; Ruf, T; Schäfer, M; Schaller, L A; Schietinger, T; Schopper, A; Schune, P; Tauscher, Ludwig; Thibault, C; Touchard, F; Touramanis, C; van Eijk, C W E; Vlachos, S; Weber, P; Wigger, I; Wolter, M; Yéche, C; Zavrtanik, D
1998-01-01
The EPR-type strangeness correlation in the \\PKz \\PaKz ~system produced in the reaction $\\Pap \\Pp \\rightarrow \\PKz \\PaKz$ at rest has been tested using the CPLEAR detector. The strangeness was tagged via strong interaction with absorbers away from the creation point. The results are consistent with the QM non-separability of the wave function and exclude a spontaneous wave-function factorisation at creation (CL $> 99.99\\%$).
International Nuclear Information System (INIS)
Pavlus, M.
1997-01-01
The entire potential and the rest of wave functions are determined in parallelepiped domain if the entire discrete spectrum and the apriori information about the wave functions on one side of parallelepiped are given. Formulation for solving the Schroedinger discrete equation in two and higher dimensions is proposed and new formulas are derived for their solution. Two examples for a 2D case and one example for a 3D case are demonstrated
Irons, Tom J P; Furness, James W; Ryley, Matthew S; Zemen, Jan; Helgaker, Trygve; Teale, Andrew M
2017-10-07
A recently proposed variation principle [N. I. Gidopoulos, Phys. Rev. A 83, 040502(R) (2011)] for the determination of Kohn-Sham effective potentials is examined and extended to arbitrary electron-interaction strengths and to mixed states. Comparisons are drawn with Lieb's convex-conjugate functional, which allows for the determination of a potential associated with a given electron density by maximization, yielding the Kohn-Sham potential for a non-interacting system. The mathematical structure of the two functionals is shown to be intrinsically related; the variation principle put forward by Gidopoulos may be expressed in terms of the Lieb functional. The equivalence between the information obtained from the two approaches is illustrated numerically by their implementation in a common framework.
Estimates of azimuthal numbers associated with elementary elliptic cylinder wave functions
Kovalev, V. A.; Radaev, Yu. N.
2014-05-01
The paper deals with issues related to the construction of solutions, 2 π-periodic in the angular variable, of the Mathieu differential equation for the circular elliptic cylinder harmonics, the associated characteristic values, and the azimuthal numbers needed to form the elementary elliptic cylinder wave functions. A superposition of the latter is one possible form for representing the analytic solution of the thermoelastic wave propagation problem in long waveguides with elliptic cross-section contour. The classical Sturm-Liouville problem for the Mathieu equation is reduced to a spectral problem for a linear self-adjoint operator in the Hilbert space of infinite square summable two-sided sequences. An approach is proposed that permits one to derive rather simple algorithms for computing the characteristic values of the angular Mathieu equation with real parameters and the corresponding eigenfunctions. Priority is given to the application of the most symmetric forms and equations that have not yet been used in the theory of the Mathieu equation. These algorithms amount to constructing a matrix diagonalizing an infinite symmetric pentadiagonal matrix. The problem of generalizing the notion of azimuthal number of a wave propagating in a cylindrical waveguide to the case of elliptic geometry is considered. Two-sided mutually refining estimates are constructed for the spectral values of the Mathieu differential operator with periodic and half-periodic (antiperiodic) boundary conditions.
Diverging probability-density functions for flat-top solitary waves
Peleg, Avner; Chung, Yeojin; Dohnal, Tomáš; Nguyen, Quan M.
2009-08-01
We investigate the statistics of flat-top solitary wave parameters in the presence of weak multiplicative dissipative disorder. We consider first propagation of solitary waves of the cubic-quintic nonlinear Schrödinger equation (CQNLSE) in the presence of disorder in the cubic nonlinear gain. We show by a perturbative analytic calculation and by Monte Carlo simulations that the probability-density function (PDF) of the amplitude η exhibits loglognormal divergence near the maximum possible amplitude ηm , a behavior that is similar to the one observed earlier for disorder in the linear gain [A. Peleg , Phys. Rev. E 72, 027203 (2005)]. We relate the loglognormal divergence of the amplitude PDF to the superexponential approach of η to ηm in the corresponding deterministic model with linear/nonlinear gain. Furthermore, for solitary waves of the derivative CQNLSE with weak disorder in the linear gain both the amplitude and the group velocity β become random. We therefore study analytically and by Monte Carlo simulations the PDF of the parameter p , where p=η/(1-ɛsβ/2) and ɛs is the self-steepening coefficient. Our analytic calculations and numerical simulations show that the PDF of p is loglognormally divergent near the maximum p value.
Ben Salah, Issam; Ben Amor, Morched; Ben Ghozlen, Mohamed Hédi
2015-08-01
Numerical examples for wave propagation in a three-layer structure have been investigated for both electrically open and shorted cases. The first order differential equations are solved by both methods ODE and Stiffness matrix. The solutions are used to study the effects of thickness and gradient coefficient of soft middle layer on the phase velocity and on the electromechanical coupling factor. We demonstrate that the electromechanical coupling factor is substantially increased when the equivalent thickness is in the order of the wavelength. The effects of gradient coefficients are plotted for the first mode when electrical and mechanical gradient variations are applied separately and altogether. The obtained deviations in comparison with the ungraded homogenous film are plotted with respect to the dimensionless wavenumber. The impact related to the gradient coefficient of the soft middle layer, on the mechanical displacement and the Poynting vector, is carried out. The numericals results are illustrated by a set of appropriate curves related to various profiles. The obtained results set guidelines not only for the design of high-performance surface acoustic wave (SAW) devices, but also for the measurement of material properties in a functionally graded piezoelectric layered system using Love waves. Copyright © 2015 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Blau, R.; Rosenberg, L.; Spruch, L.
1977-01-01
A minimum principle for the calculation of the scattering length, applicable when the ground-state wave function of the target system is known precisely, has been available for some time. When, as is almost always the case, the target wave function is imprecisely known, a minimum principle is available but the simple minimum principle noted above is not applicable. Further, as recent calculations show, numerical instabilities usually arise which severely limit the utility of even an ordinary variational approach. The difficulty, which can be traced to the appearance of singularities in the variational construction, is here removed through the introduction of a minimum principle, not for the true scattering length, but for one associated with a closely connected problem. This guarantees that no instability difficulties can arise as the trial scattering wave function and the trial target wave function are improved. The calculations are little different from those required when the target ground-state wave function is known, and, in fact, the original version of the minimum principle is recovered as the trial target wave function becomes exact. A careful discussion is given of the types of problems to which the method can be applied. In particular, the effects of the Pauli principle, and the existence of a finite number of composite bound states, can be accounted for
Mo, Yirong; Gao, Jiali; Peyerimhoff, Sigrid D.
2000-04-01
An energy decomposition scheme based on the block-localized wave function (BLW) method is proposed. The key of this scheme is the definition and the full optimization of the diabatic state wave function, where the charge transfer among interacting molecules is deactivated. The present energy decomposition (ED), BLW-ED, method is similar to the Morokuma decomposition scheme in definition of the energy terms, but differs in implementation and the computational algorithm. In addition, in the BLW-ED approach, the basis set superposition error is fully taken into account. The application of this scheme to the water dimer and the lithium cation-water clusters reveals that there is minimal charge transfer effect in hydrogen-bonded complexes. At the HF/aug-cc-PVTZ level, the electrostatic, polarization, and charge-transfer effects contribute 65%, 24%, and 11%, respectively, to the total bonding energy (-3.84 kcal/mol) in the water dimer. On the other hand, charge transfer effects are shown to be significant in Lewis acid-base complexes such as H3NSO3 and H3NBH3. In this work, the effect of basis sets used on the energy decomposition analysis is addressed and the results manifest that the present energy decomposition scheme is stable with a modest size of basis functions.
A correction function method for the wave equation with interface jump conditions
Abraham, David S.; Marques, Alexandre Noll; Nave, Jean-Christophe
2018-01-01
In this paper a novel method to solve the constant coefficient wave equation, subject to interface jump conditions, is presented. In general, such problems pose issues for standard finite difference solvers, as the inherent discontinuity in the solution results in erroneous derivative information wherever the stencils straddle the given interface. Here, however, the recently proposed Correction Function Method (CFM) is used, in which correction terms are computed from the interface conditions, and added to affected nodes to compensate for the discontinuity. In contrast to existing methods, these corrections are not simply defined at affected nodes, but rather generalized to a continuous function within a small region surrounding the interface. As a result, the correction function may be defined in terms of its own governing partial differential equation (PDE) which may be solved, in principle, to arbitrary order of accuracy. The resulting scheme is not only arbitrarily high order, but also robust, having already seen application to Poisson problems and the heat equation. By extending the CFM to this new class of PDEs, the treatment of wave interface discontinuities in homogeneous media becomes possible. This allows, for example, for the straightforward treatment of infinitesimal source terms and sharp boundaries, free of staircasing errors. Additionally, new modifications to the CFM are derived, allowing compatibility with explicit multi-step methods, such as Runge-Kutta (RK4), without a reduction in accuracy. These results are then verified through numerous numerical experiments in one and two spatial dimensions.
Paul, Jonathan D.; Eakin, Caroline M.
2017-07-01
Crustal receiver functions have been calculated from 128 events for two three-component broadband seismomenters located on the south coast (FOMA) and in the central High Plateaux (ABPO) of Madagascar. For each station, crustal thickness and V p / V s ratio were estimated from H- κ plots. Self-consistent receiver functions from a smaller back-azimuthal range were then selected, stacked and inverted to determine shear wave velocity structure as a function of depth. These results were corroborated by guided forward modeling and by Monte Carlo error analysis. The crust is found to be thinner (39 ± 0.7 km) beneath the highland center of Madagascar compared to the coast (44 ± 1.6 km), which is the opposite of what would be expected for crustal isostasy, suggesting that present-day long wavelength topography is maintained, at least in part, dynamically. This inference of dynamic support is corroborated by shear wave splitting analyses at the same stations, which produce an overwhelming majority of null results (>96 %), as expected for vertical mantle flow or asthenospheric upwelling beneath the island. These findings suggest a sub-plate origin for dynamic support.
Effect of wave-function localization on the time delay in photoemission from surfaces
International Nuclear Information System (INIS)
Zhang, C.-H.; Thumm, U.
2011-01-01
We investigate streaking time delays in the photoemission from a solid model surface as a function of the degree of localization of the initial-state wave functions. We consider a one-dimensional slab with lattice constant a latt of attractive Gaussian-shaped core potentials of width σ. The parameter σ/a latt thus controls the overlap between adjacent core potentials and localization of the electronic eigenfunctions on the lattice points. Small values of σ/a latt latt > or approx 0.4. By numerically solving the time-dependent Schroedinger equation, we calculate photoemission spectra from which we deduce a characteristic bimodal shape of the band-averaged photoemission time delay: as the slab eigenfunctions become increasingly delocalized, the time delay quickly decreases near σ/a latt =0.3 from relatively large values below σ/a latt ∼0.2 to much smaller delays above σ/a latt ∼0.4. This change in wave-function localization facilitates the interpretation of a recently measured apparent relative time delay between the photoemission from core and conduction-band levels of a tungsten surface.
Zero Field Splitting of the chalcogen diatomics using relativistic correlated wave-function methods
DEFF Research Database (Denmark)
Rota, Jean-Baptiste; Knecht, Stefan; Fleig, Timo
2011-01-01
The spectrum arising from the (π*)2 configuration of the chalcogen dimers, namely the X21, a2 and b0+ states, is calculated using Wave-Function Theory (WFT) based methods. Two-component (2c) and four-component (4c) MultiReference Configuration Interaction (MRCI) and Fock-Space Coupled Cluster (FS...... by a two-parameter model; Δε, the π* spinor splitting by spin-orbit coupling (SOC) and K, the exchange integral between the π*1 and the π*-1 spinors with respectively angular momenta 1 and −1. This model holds for all systems under study with the exception of Po2....
Genoni, Marco G.; Duarte, O. S.; Serafini, Alessio
2016-10-01
Inspired by the notion that environmental noise is in principle observable, while fundamental noise due to spontaneous localization would not be, we study the estimation of the diffusion parameter induced by wave function collapse models under continuous monitoring of the environment. We take into account finite measurement efficiencies and, in order to quantify the advantage granted by monitoring, we analyse the quantum Fisher information associated with such a diffusion parameter, identify optimal measurements in limiting cases, and assess the performance of such measurements in more realistic conditions.
International Nuclear Information System (INIS)
Shukla, Nidhi; Mishra, Ruchi; Varma, P; Tiwari, M S
2008-01-01
This work studies the effect of ion and electron beam on kinetic Alfven wave (KAW) with general loss-cone distribution function. The kinetic theory has been adopted to evaluate the dispersion relation and damping rate of the wave in the presence of loss-cone distribution indices J. The variations in wave frequency ω and damping rate with perpendicular wave number k perpendicular ρ i (k perpendicular is perpendicular wave number and ρ i is ion gyroradius) and parallel wave number k parallel are studied. It is found that the distribution index J and ion beam velocity enhance the wave frequency at lower k perpendicular ρ i , whereas the electron beam velocity enhances the wave frequency at higher k perpendicular ρ i . The calculated values of frequency correspond to the observed values in the range 0.1-4 Hz. Increase in damping rate due to higher distribution indices J and ion beam velocity is observed. The effect of electron beam is to reduce the damping rate at higher k perpendicular ρ i . The plasma parameters appropriate to plasma sheet boundary layer are used. The results may explain the transfer of Poynting flux from the magnetosphere to the ionosphere. It is also found that in the presence of the loss-cone distribution function the ion beam becomes a sensitive parameter to reduce the Poynting flux of KAW propagating towards the ionosphere
Energy Technology Data Exchange (ETDEWEB)
Fattebert, J
2008-07-29
We describe an iterative algorithm to solve electronic structure problems in Density Functional Theory. The approach is presented as a Subspace Accelerated Inexact Newton (SAIN) solver for the non-linear Kohn-Sham equations. It is related to a class of iterative algorithms known as RMM-DIIS in the electronic structure community. The method is illustrated with examples of real applications using a finite difference discretization and multigrid preconditioning.
Assessment of canine sensory function by using sine-wave electrical stimuli paradigm.
Watabiki, Tomonari; Nagakura, Yukinori; Wegner, Kirsten; Kakimoto, Shuichiro; Tozier, Nicolle A; Malkmus, Shelle A; Yaksh, Tony L
2010-10-05
The paradigm of sine-wave electrical stimuli has been used for sensory neurological assessment in humans. In the present study, we applied the paradigm to the dog for the quantitative assessment of sensory function. Sine-wave electrical current stimuli at frequencies of 2000, 250, and 5Hz were delivered to bipolar electrodes attached to the skin surface of the hind paws. The stimulation intensity was gradually increased, and the minimum intensity required to elicit the lifting behavior in the stimulated paw was determined as current threshold (CT) for each of the three frequencies. Dogs consistently showed the lifting behavior at CTs without showing aversive behaviors such as vocalization and wriggling. The baseline CTs (mean+/-SEM, n=12) were 4430+/-110microA for CT2000, 2215+/-173microA for CT250, and 2305+/-152microA for CT5. The CTs immediately increased after bolus intravenous injection of fentanyl at 10microg/kg, although the significant increase disappeared within 1h. The time course for the CTs was parallel to that of plasma fentanyl concentration. In conclusion, the present study applied the paradigm of transcutaneous sine-wave electrical stimuli to the dog, and used the hind paw lifting as endpoint behavior. This paradigm is simple, non-invasive, useful in the assessment of sensory function, and can be adapted to investigate the pharmacokinetics/pharmacodynamics relation of drugs. Further studies are needed to give the conclusive interpretation of the endpoint behavior. Copyright © 2010 Elsevier Inc. All rights reserved.
Modification of AMD wave functions and application to the breaking of the N=20 magic number
International Nuclear Information System (INIS)
Kimura, Masaaki; Horiuchi, Hisashi
2001-01-01
By using the deformed Gaussian instead of the spherical one, we have modified the AMD (Antisymmetrized Molecular Dynamics) wave functions. The calculation results with this modified AMD shows the drastic improvement of the deformation properties of Mg isotopes. This improvement means that this new version of AMD can treat the deformation of mean field properly than before and the deformation of mean field is important in Mg isotopes. With this new version of AMD, we have also calculated 32Mg in which the breaking of magic number N=20 is experimentally known. In this nucleus, β-energy surface is also drastically changed by the modification AMD wave function. Our results show that this nucleus is indeed deformed and neutron's 2p2h state is dominant in its ground state. This ground state reproduces the experimental data and shows the breaking of the magic number N=20 clearly. Additionally, near the ground state, there is also very interesting state which has neutron's 4p4h structure and shows parity violating density distribution and cluster-like nature. (author)
Directory of Open Access Journals (Sweden)
Ian S.O. Pimienta
2002-05-01
Full Text Available Abstract: A new approach to the many-electron correlation problem, termed the method of moments of coupled-cluster equations (MMCC, is further developed and tested. The main idea of the MMCC theory is that of the noniterative energy corrections which, when added to the energies obtained in the standard coupled-cluster calculations, recover the exact (full configuration interaction energy. The MMCC approximations require that a guess is provided for the electronic wave function of interest. The idea of using simple estimates of the wave function, provided by the inexpensive configuration interaction (CI methods employing small sets of active orbitals to define higherÃ¢Â€Â“thanÃ¢Â€Â“double excitations, is tested in this work. The CI-corrected MMCC methods are used to study the single bond breaking in HF and the simultaneous breaking of both OÃ¢Â€Â“H bonds in H2O.
Modification of AMD wave functions and application to the breaking of the N=20 magic number
Energy Technology Data Exchange (ETDEWEB)
Kimura, Masaaki; Horiuchi, Hisashi [Kyoto Univ. (Japan). Dept. of Physics
2001-09-01
By using the deformed Gaussian instead of the spherical one, we have modified the AMD (Antisymmetrized Molecular Dynamics) wave functions. The calculation results with this modified AMD shows the drastic improvement of the deformation properties of Mg isotopes. This improvement means that this new version of AMD can treat the deformation of mean field properly than before and the deformation of mean field is important in Mg isotopes. With this new version of AMD, we have also calculated 32Mg in which the breaking of magic number N=20 is experimentally known. In this nucleus, {beta}-energy surface is also drastically changed by the modification AMD wave function. Our results show that this nucleus is indeed deformed and neutron's 2p2h state is dominant in its ground state. This ground state reproduces the experimental data and shows the breaking of the magic number N=20 clearly. Additionally, near the ground state, there is also very interesting state which has neutron's 4p4h structure and shows parity violating density distribution and cluster-like nature. (author)
Niels Bohr on the wave function and the classical/quantum divide
Zinkernagel, Henrik
2016-02-01
It is well known that Niels Bohr insisted on the necessity of classical concepts in the account of quantum phenomena. But there is little consensus concerning his reasons, and what he exactly meant by this. In this paper, I re-examine Bohr's interpretation of quantum mechanics, and argue that the necessity of the classical can be seen as part of his response to the measurement problem. More generally, I attempt to clarify Bohr's view on the classical/quantum divide, arguing that the relation between the two theories is that of mutual dependence. An important element in this clarification consists in distinguishing Bohr's idea of the wave function as symbolic from both a purely epistemic and an ontological interpretation. Together with new evidence concerning Bohr's conception of the wave function collapse, this sets his interpretation apart from both standard versions of the Copenhagen interpretation, and from some of the reconstructions of his view found in the literature. I conclude with a few remarks on how Bohr's ideas make much sense also when modern developments in quantum gravity and early universe cosmology are taken into account.
BCS wave function, matrix product states, and the Ising conformal field theory
Montes, Sebastián; Rodríguez-Laguna, Javier; Sierra, Germán
2017-11-01
We present a characterization of the many-body lattice wave functions obtained from the conformal blocks (CBs) of the Ising conformal field theory (CFT). The formalism is interpreted as a matrix product state using continuous ancillary degrees of freedom. We provide analytic and numerical evidence that the resulting states can be written as BCS states. We give a complete proof that the translationally invariant 1D configurations have a BCS form and we find suitable parent Hamiltonians. In particular, we prove that the ground state of the finite-size critical Ising transverse field (ITF) Hamiltonian can be obtained with this construction. Finally, we study 2D configurations using an operator product expansion (OPE) approximation. We associate these states to the weak pairing phase of the p +i p superconductor via the scaling of the pairing function and the entanglement spectrum.
International Nuclear Information System (INIS)
Boyd, D.A.; Skiff, F.; Gulick, S.
1997-01-01
A two-chord, four-beam suprathermal electron diagnostic has been installed on TdeV (B>1.5 T, R=0.86 m, a=0.25 m). Resonant absorption of extraordinary mode electron cyclotron waves is measured to deduce the chordal averaged suprathermal electron distribution function amplitude at the resonant momentum. Simultaneously counterpropagating beams permit good refractive loss cancellation. A nonlinear frequency sweep leads to a concentration of appropriately propagating power in a narrow range of time of flight, thus increasing the signal-to-noise ratio and facilitating the rejection of spurious reflections. Numerous measurements of electron distribution functions have been obtained during lower-hybrid current-drive experiments. copyright 1997 American Institute of Physics
Semi-analytical wave functions in relativistic average atom model for high-temperature plasmas
International Nuclear Information System (INIS)
Guo Yonghui; Duan Yaoyong; Kuai Bin
2007-01-01
The semi-analytical method is utilized for solving a relativistic average atom model for high-temperature plasmas. Semi-analytical wave function and the corresponding energy eigenvalue, containing only a numerical factor, are obtained by fitting the potential function in the average atom into hydrogen-like one. The full equations for the model are enumerated, and more attentions are paid upon the detailed procedures including the numerical techniques and computer code design. When the temperature of plasmas is comparatively high, the semi-analytical results agree quite well with those obtained by using a full numerical method for the same model and with those calculated by just a little different physical models, and the result's accuracy and computation efficiency are worthy of note. The drawbacks for this model are also analyzed. (authors)
Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.
2014-01-01
In continuation of our earlier works, we present results concerning the computation of matrix elements of the multipolar Hamiltonian (MPH) between extended wave functions that are obtained numerically. The choice of the MPH is discussed in connection with the broader issue of the form of radiation-atom (or -molecule) interaction that is appropriate for the systematic solution of various problems of matter-radiation interaction. We derive analytic formulas, in terms of the sine-integral function and spherical Bessel functions of various orders, for the cumulative radial integrals that were obtained and calculated by Komninos, Mercouris, and Nicolaides [Phys. Rev. A 71, 023410 (2005), 10.1103/PhysRevA.71.023410]. This development allows the much faster and more accurate computation of such matrix elements, a fact that enhances the efficiency with which the time-dependent Schrödinger equation is solved nonperturbatively, in the framework of the state-specific expansion approach. The formulas are applicable to the general case where a pair of orbitals with angular parts |ℓ1,m1> and |ℓ2,m2> are coupled radiatively. As a test case, we calculate the matrix elements of the electric field and of the paramagnetic operators for on- and off-resonance transitions, between hydrogenic circular states of high angular momentum, whose quantum numbers are chosen so as to satisfy electric dipole and electric quadrupole selection rules. Because of the nature of their wave function (they are nodeless and the large centrifugal barrier keeps their overwhelming part at large distances from the nucleus), the validity of the electric dipole approximation in various applications where the off-resonance couplings must be considered becomes precarious. For example, for the transition from the circular state with n = 20 to that with n = 21, for which ≈400 a.u., the dipole approximation starts to fail already at XUV wavelengths (λ <125nm).
STM contrast of a CO dimer on a Cu(1 1 1) surface: a wave-function analysis
Gustafsson, Alexander; Paulsson, Magnus
2017-12-01
We present a method used to intuitively interpret the scanning tunneling microscopy (STM) contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into the vacuum region at a real-space grid, including averaging over the lateral reciprocal space. Optimization by means of the method of Lagrange multipliers is implemented to perform a unitary transformation of the wave functions in the middle of the vacuum region. The method enables (i) reduction of the number of contributing tip-substrate wave function combinations used in the corresponding transmission matrix, and (ii) to bundle up wave functions with similar symmetry in the lateral plane, so that (iii) an intuitive understanding of the STM contrast can be achieved. The theory is applied to a CO dimer adsorbed on a Cu(1 1 1) surface scanned by a single-atom Cu tip, whose STM image is discussed in detail by the outlined method.
Energy Technology Data Exchange (ETDEWEB)
Bhattacharyya, S.; Das, T.K. (Physics Department, Calcutta University, 92 A.P.C. Road, Calcutta 700009 (India)); Kanta, K.P. (Physics Department, Burdwan University, Burdwan 713104 (India)); Ghosh, A.K. (Sainthia Avedananda Mahavidyalaya, Sainthia, Birbhum, W. B. (India))
1994-10-01
The asymptotic normalization constants (ANC) [ital C][sub 0] and [ital C][sub 2] of the triton have been calculated by the hyperspherical harmonics expansion method with the Reid soft core potential (no three body force). The results do not agree with the corresponding calculations by the Faddeev method, when only a few hyperspherical partial waves are included. However Schneider's convergence theorems on hyperspherical expansion allow one to extrapolate the results for a large number of partial waves and then they agree fairly well with the Faddeev results. This indicates that even though the hyperspherical expansion for the asymptotic wave function is very slow, a convergent and reliable wave function is attained by extrapolation of a relatively small-sized calculation.
Watt-Level Continuous-Wave Emission from a Bi-Functional Quantum Cascade Laser/Detector
2017-04-18
ed em is si on sp ec tra Wavenumbers (cm−1) Wavelength (µm) subthreshold 1480 mA 1530 mA 1600 mA 2000 mA 2500 mA 3000 mA Figure 3: Emission spectra of...cally authorized by the U.S. Government may violate any copyrights that exist in this work. Watt-level continuous-wave emission from a bi-functional...facet continuous wave emission at 15◦C. Apart from the general performance benets, this enables sensing techiques which rely on continuous wave
Energy Technology Data Exchange (ETDEWEB)
Khan, Shehryar, E-mail: sherkhan@fysik.su.se; Odelius, Michael, E-mail: odelius@fysik.su.se [Department of Physics, Stockholm University, AlbaNova University Center, S-106 91 Stockholm (Sweden); Kubica-Misztal, Aleksandra [Institute of Physics, Jagiellonian University, ul. Reymonta 4, PL-30-059 Krakow (Poland); Kruk, Danuta [Faculty of Mathematics and Computer Science, University of Warmia and Mazury in Olsztyn, Sloneczna 54, Olsztyn PL-10710 (Poland); Kowalewski, Jozef [Department of Materials and Environmental Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm (Sweden)
2015-01-21
The zero-field splitting (ZFS) of the electronic ground state in paramagnetic ions is a sensitive probe of the variations in the electronic and molecular structure with an impact on fields ranging from fundamental physical chemistry to medical applications. A detailed analysis of the ZFS in a series of symmetric Gd(III) complexes is presented in order to establish the applicability and accuracy of computational methods using multiconfigurational complete-active-space self-consistent field wave functions and of density functional theory calculations. The various computational schemes are then applied to larger complexes Gd(III)DOTA(H{sub 2}O){sup −}, Gd(III)DTPA(H{sub 2}O){sup 2−}, and Gd(III)(H{sub 2}O){sub 8}{sup 3+} in order to analyze how the theoretical results compare to experimentally derived parameters. In contrast to approximations based on density functional theory, the multiconfigurational methods produce results for the ZFS of Gd(III) complexes on the correct order of magnitude.
Jaeger, P; Redha, F; Marquardt, K; Uhlschmid, G; Hauri, D
1995-01-01
Extracorporeal shock-wave lithotripsy (ESWL) has rapidly become established worldwide as a routine method for treatment of nephro- and ureterolithiasis. Although initial studies showed no tissue-damaging effect by the shock waves, we found, in an animal experiment using canine kidneys, that the ESWL-induced damage to the renal parenchyma is more marked than originally assumed. The damage is limited to the area that was focused on, and heals relatively rapidly by connective tissue encapsulation with final cicatrisation without any further residual effects being observed up to the present. This parenchymal damage is probably also the cause of the macrohematuria that is always observed during therapy. The resulting tissue damage is not extensive enough to cause a demonstrable reduction of function as measured by the usual methods (serum creatinine, creatinine clearance, isotopy renography, i.v. urography). In serum we observed a transient decrease of calcium, an immediate increase of lactate-dehydrogenase, transaminases (SGOT and SGPT) and a delayed increase of alkaline phosphates. Creatinine, blood urea nitrogen, sodium, potassium and amylase remained within normal limits. In urine, a decrease of creatinine and an increase of glucose excretion were noted. We believe that these changes represent a relatively mild and transient damage of renal cells and do not reflect the occasionally heavy morphological changes observed after shock-wave exposure. The main clinical complication is the large subcapsular hematoma which, according to the present knowledge, could well result from a lesion of the larger peripheral vessels. Damage to other organs such as subserous colonic and small bowel hematomata are to be expected although they do not lead to clinical symptoms.
Two-state model based on the block-localized wave function method
Mo, Yirong
2007-06-01
The block-localized wave function (BLW) method is a variant of ab initio valence bond method but retains the efficiency of molecular orbital methods. It can derive the wave function for a diabatic (resonance) state self-consistently and is available at the Hartree-Fock (HF) and density functional theory (DFT) levels. In this work we present a two-state model based on the BLW method. Although numerous empirical and semiempirical two-state models, such as the Marcus-Hush two-state model, have been proposed to describe a chemical reaction process, the advantage of this BLW-based two-state model is that no empirical parameter is required. Important quantities such as the electronic coupling energy, structural weights of two diabatic states, and excitation energy can be uniquely derived from the energies of two diabatic states and the adiabatic state at the same HF or DFT level. Two simple examples of formamide and thioformamide in the gas phase and aqueous solution were presented and discussed. The solvation of formamide and thioformamide was studied with the combined ab initio quantum mechanical and molecular mechanical Monte Carlo simulations, together with the BLW-DFT calculations and analyses. Due to the favorable solute-solvent electrostatic interaction, the contribution of the ionic resonance structure to the ground state of formamide and thioformamide significantly increases, and for thioformamide the ionic form is even more stable than the covalent form. Thus, thioformamide in aqueous solution is essentially ionic rather than covalent. Although our two-state model in general underestimates the electronic excitation energies, it can predict relative solvatochromic shifts well. For instance, the intense π →π* transition for formamide upon solvation undergoes a redshift of 0.3eV, compared with the experimental data (0.40-0.5eV).
Kumar Singh, Abhishek; Kumar, Santan; Kumari, Richa
2018-03-01
The propagation behavior of Love-type wave in a corrugated functionally graded piezoelectric material layered structure has been taken into account. Concretely, the layered structure incorporates a corrugated functionally graded piezoelectric material layer imperfectly bonded to a functionally graded piezoelectric material half-space. An analytical treatment has been employed to determine the dispersion relation for both cases of electrically open condition and electrically short condition. The phase velocity of the Love-type wave has been computed numerically and its dependence on the wave number has been depicted graphically for a specific type of corrugated boundary surfaces for both said conditions. The crux of the study lies in the fact that the imperfect bonding of the interface, the corrugated boundaries present in the layer, and the material properties of the layer and the half-space strongly influence the phase velocity of the Love-type wave. It can be remarkably noted that the imperfect bonding of the interface reduces the phase velocity of the Love-type wave significantly. As a special case of the problem, it is noticed that the procured dispersion relation for both cases of electrically open and electrically short conditions is in accordance with the classical Love wave equation.
Capillary wave Hamiltonian for the Landau–Ginzburg–Wilson density functional
International Nuclear Information System (INIS)
Chacón, Enrique; Tarazona, Pedro
2016-01-01
We study the link between the density functional (DF) formalism and the capillary wave theory (CWT) for liquid surfaces, focused on the Landau–Ginzburg–Wilson (LGW) model, or square gradient DF expansion, with a symmetric double parabola free energy, which has been extensively used in theoretical studies of this problem. We show the equivalence between the non-local DF results of Parry and coworkers and the direct evaluation of the mean square fluctuations of the intrinsic surface, as is done in the intrinsic sampling method for computer simulations. The definition of effective wave-vector dependent surface tensions is reviewed and we obtain new proposals for the LGW model. The surface weight proposed by Blokhuis and the surface mode analysis proposed by Stecki provide consistent and optimal effective definitions for the extended CWT Hamiltonian associated to the DF model. A non-local, or coarse-grained, definition of the intrinsic surface provides the missing element to get the mesoscopic surface Hamiltonian from the molecular DF description, as had been proposed a long time ago by Dietrich and coworkers. (paper)
Scholkmann, Felix; Kleiser, Stefan; Metz, Andreas Jaakko; Zimmermann, Raphael; Mata Pavia, Juan; Wolf, Ursula; Wolf, Martin
2014-01-15
This year marks the 20th anniversary of functional near-infrared spectroscopy and imaging (fNIRS/fNIRI). As the vast majority of commercial instruments developed until now are based on continuous wave technology, the aim of this publication is to review the current state of instrumentation and methodology of continuous wave fNIRI. For this purpose we provide an overview of the commercially available instruments and address instrumental aspects such as light sources, detectors and sensor arrangements. Methodological aspects, algorithms to calculate the concentrations of oxy- and deoxyhemoglobin and approaches for data analysis are also reviewed. From the single-location measurements of the early years, instrumentation has progressed to imaging initially in two dimensions (topography) and then three (tomography). The methods of analysis have also changed tremendously, from the simple modified Beer-Lambert law to sophisticated image reconstruction and data analysis methods used today. Due to these advances, fNIRI has become a modality that is widely used in neuroscience research and several manufacturers provide commercial instrumentation. It seems likely that fNIRI will become a clinical tool in the foreseeable future, which will enable diagnosis in single subjects. Copyright © 2013 Elsevier Inc. All rights reserved.
Computation of the response functions of spiral waves in active media.
Biktasheva, I V; Barkley, D; Biktashev, V N; Bordyugov, G V; Foulkes, A J
2009-05-01
Rotating spiral waves are a form of self-organization observed in spatially extended systems of physical, chemical, and biological natures. A small perturbation causes gradual change in spatial location of spiral's rotation center and frequency, i.e., drift. The response functions (RFs) of a spiral wave are the eigenfunctions of the adjoint linearized operator corresponding to the critical eigenvalues lambda=0,+/-iomega. The RFs describe the spiral's sensitivity to small perturbations in the way that a spiral is insensitive to small perturbations where its RFs are close to zero. The velocity of a spiral's drift is proportional to the convolution of RFs with the perturbation. Here we develop a regular and generic method of computing the RFs of stationary rotating spirals in reaction-diffusion equations. We demonstrate the method on the FitzHugh-Nagumo system and also show convergence of the method with respect to the computational parameters, i.e., discretization steps and size of the medium. The obtained RFs are localized at the spiral's core.
Directory of Open Access Journals (Sweden)
Y. Kamiya
2014-01-01
Full Text Available Gravity is the most familiar force at our natural length scale. However, it is still exotic from the view point of particle physics. The first experimental study of quantum effects under gravity was performed using a cold neutron beam in 1975. Following this, an investigation of gravitationally bound quantum states using ultracold neutrons was started in 2002. This quantum bound system is now well understood, and one can use it as a tunable tool to probe gravity. In this paper, we review a recent measurement of position-space wave functions of such gravitationally bound states and discuss issues related to this analysis, such as neutron loss models in a thin neutron guide, the formulation of phase space quantum mechanics, and UCN position sensitive detectors. The quantum modulation of neutron bound states measured in this experiment shows good agreement with the prediction from quantum mechanics.
Time-dependent density-functional theory in the projector augmented-wave method
DEFF Research Database (Denmark)
Walter, Michael; Häkkinen, Hannu; Lehtovaara, Lauri
2008-01-01
We present the implementation of the time-dependent density-functional theory both in linear-response and in time-propagation formalisms using the projector augmented-wave method in real-space grids. The two technically very different methods are compared in the linear-response regime where we fo...... surfaces for a set of atoms and molecules with the linear-response method and by calculating nonlinear emission spectra using the time-propagation method....... found perfect agreement in the calculated photoabsorption spectra. We discuss the strengths and weaknesses of the two methods as well as their convergence properties. We demonstrate different applications of the methods by calculating excitation energies and excited state Born–Oppenheimer potential...
Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines
International Nuclear Information System (INIS)
Jia, Weile; Fu, Jiyun; Cao, Zongyan; Wang, Long; Chi, Xuebin; Gao, Weiguo; Wang, Lin-Wang
2013-01-01
Plane wave pseudopotential (PWP) density functional theory (DFT) calculation is the most widely used method for material simulations, but its absolute speed stagnated due to the inability to use large scale CPU based computers. By a drastic redesign of the algorithm, and moving all the major computation parts into GPU, we have reached a speed of 12 s per molecular dynamics (MD) step for a 512 atom system using 256 GPU cards. This is about 20 times faster than the CPU version of the code regardless of the number of CPU cores used. Our tests and analysis on different GPU platforms and configurations shed lights on the optimal GPU deployments for PWP-DFT calculations. An 1800 step MD simulation is used to study the liquid phase properties of GaInP
Experimental tests of the properties of the quantum mechanical wave function
International Nuclear Information System (INIS)
Tarozzi, G.
1985-01-01
A new experimental proposal on the wave-particle dualism is discussed, unifying the two different classes of experiments recently advanced to detect the physical properties of quantum waves of producing interference or stimulated emission
Clustering P-Wave Receiver Functions To Constrain Subsurface Seismic Structure
Chai, C.; Larmat, C. S.; Maceira, M.; Ammon, C. J.; He, R.; Zhang, H.
2017-12-01
The acquisition of high-quality data from permanent and temporary dense seismic networks provides the opportunity to apply statistical and machine learning techniques to a broad range of geophysical observations. Lekic and Romanowicz (2011) used clustering analysis on tomographic velocity models of the western United States to perform tectonic regionalization and the velocity-profile clusters agree well with known geomorphic provinces. A complementary and somewhat less restrictive approach is to apply cluster analysis directly to geophysical observations. In this presentation, we apply clustering analysis to teleseismic P-wave receiver functions (RFs) continuing efforts of Larmat et al. (2015) and Maceira et al. (2015). These earlier studies validated the approach with surface waves and stacked EARS RFs from the USArray stations. In this study, we experiment with both the K-means and hierarchical clustering algorithms. We also test different distance metrics defined in the vector space of RFs following Lekic and Romanowicz (2011). We cluster data from two distinct data sets. The first, corresponding to the western US, was by smoothing/interpolation of receiver-function wavefield (Chai et al. 2015). Spatial coherence and agreement with geologic region increase with this simpler, spatially smoothed set of observations. The second data set is composed of RFs for more than 800 stations of the China Digital Seismic Network (CSN). Preliminary results show a first order agreement between clusters and tectonic region and each region cluster includes a distinct Ps arrival, which probably reflects differences in crustal thickness. Regionalization remains an important step to characterize a model prior to application of full waveform and/or stochastic imaging techniques because of the computational expense of these types of studies. Machine learning techniques can provide valuable information that can be used to design and characterize formal geophysical inversion, providing
A TOCA/CDC-42/PAR/WAVE functional module required for retrograde endocytic recycling
Bai, Zhiyong; Grant, Barth D.
2015-01-01
Endosome-to-Golgi transport is required for the function of many key membrane proteins and lipids, including signaling receptors, small-molecule transporters, and adhesion proteins. The retromer complex is well-known for its role in cargo sorting and vesicle budding from early endosomes, in most cases leading to cargo fusion with the trans-Golgi network (TGN). Transport from recycling endosomes to the TGN has also been reported, but much less is understood about the molecules that mediate this transport step. Here we provide evidence that the F-BAR domain proteins TOCA-1 and TOCA-2 (Transducer of Cdc42 dependent actin assembly), the small GTPase CDC-42 (Cell division control protein 42), associated polarity proteins PAR-6 (Partitioning defective 6) and PKC-3/atypical protein kinase C, and the WAVE actin nucleation complex mediate the transport of MIG-14/Wls and TGN-38/TGN38 cargo proteins from the recycling endosome to the TGN in Caenorhabditis elegans. Our results indicate that CDC-42, the TOCA proteins, and the WAVE component WVE-1 are enriched on RME-1–positive recycling endosomes in the intestine, unlike retromer components that act on early endosomes. Furthermore, we find that retrograde cargo TGN-38 is trapped in early endosomes after depletion of SNX-3 (a retromer component) but is mainly trapped in recycling endosomes after depletion of CDC-42, indicating that the CDC-42–associated complex functions after retromer in a distinct organelle. Thus, we identify a group of interacting proteins that mediate retrograde recycling, and link these proteins to a poorly understood trafficking step, recycling endosome-to-Golgi transport. We also provide evidence for the physiological importance of this pathway in WNT signaling. PMID:25775511
Xiong, Xiao-Gen; Yanai, Takeshi
2017-07-11
The Projector Augmented Wave (PAW) method developed by Blöchl is well recognized as an efficient, accurate pseudopotential approach in solid-state density functional theory (DFT) calculations with the plane-wave basis. Here we present an approach to incorporate the PAW method into the Gauss-type function (GTF) based DFT implementation, which is widely used for molecular quantum chemistry calculations. The nodal and high-exponent GTF components of valence molecular orbitals (MOs) are removed or pseudized by the ultrasoft PAW treatment, while there is elaborate transparency to construct an accurate and well-controlled pseudopotential from all-electron atomic description and to reconstruct an all-electron form of valence MOs from the pseudo MOs. The smoothness of the pseudo MOs should benefit the efficiency of GTF-based DFT calculations in terms of elimination of high-exponent primitive GTFs and reduction of grid points in the numerical quadrature. The processes of the PAW method are divided into basis-independent and -dependent parts. The former is carried out using the previously developed PAW libraries libpaw and atompaw. The present scheme is implemented by incorporating libpaw into the conventional GTF-based DFT solver. The details of the formulations and implementations of GTF-related PAW procedures are presented. The test calculations are shown for illustrating the performance. With the near-complete GTF basis at the cc-pVQZ level, the total energies obtained using our PAW method with suited frozen core treatments converge to those with the conventional all-electron GTF-based method with a rather small absolute error.
Dorband, J. E.
2017-12-01
The D-Wave 2X has successfully been used for regression analysis to derive carbon flux data from OCO-2 CO2 concentration using neural networks. The samples returned from the D-Wave should represent the minimum of an objective function presented to it. An accurate as possible minimum function value is needed for this analysis. Samples from the D-Wave are near minimum, but seldom are the global minimum of the function due to quantum noise. Two methods for improving the accuracy of minimized values represented by the samples returned from the D-Wave are presented. The first method finds a new sample with a minimum value near each returned D-Wave sample. The second method uses all the returned samples to find a more global minimum sample. We present three use-cases performed using the former method. In the first use case, it is demonstrated that an objective function with random qubits and coupler coefficients had an improved minimum. In the second use case, the samples corrected by the first method can improve the training of a Boltzmann machine neural network. The third use case demonstrated that using the first method can improve virtual qubit accuracy.The later method was also performed on the first use case.
Bonitati, Joey; Slimmer, Ben; Li, Weichuan; Potel, Gregory; Nunes, Filomena
2017-09-01
The calculable form of the R-matrix method has been previously shown to be a useful tool in approximately solving the Schrodinger equation in nuclear scattering problems. We use this technique combined with the Gauss quadrature for the Lagrange-mesh method to efficiently solve for the wave functions of projectile nuclei in low energy collisions (1-100 MeV) involving an arbitrary number of channels. We include the local Woods-Saxon potential, the non-local potential of Perey and Buck, a Coulomb potential, and a coupling potential to computationally solve for the wave function of two nuclei at short distances. Object oriented programming is used to increase modularity, and parallel programming techniques are introduced to reduce computation time. We conclude that the R-matrix method is an effective method to predict the wave functions of nuclei in scattering problems involving both multiple channels and non-local potentials. Michigan State University iCER ACRES REU.
International Nuclear Information System (INIS)
Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo
1999-01-01
We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)
TUNING IN TO FISH SWIMMING WAVES - BODY FORM, SWIMMING MODE AND MUSCLE FUNCTION
WARDLE, CS; VIDELER, JJ; ALTRINGHAM, JD
Most fish species swim with lateral body undulations running from head to tail, These waves run more slowly than the waves of muscle activation causing them, reflecting the effect of the interaction between the fish's body and the reactive forces from the water, The coupling between both waves
Qian, Zheng-Hua; Jin, Feng; Lu, Tianjian; Kishimoto, Kikuo; Hirose, Sohichi
2010-01-01
The effect of initial stress on the propagation behavior of Love waves in a piezoelectric half-space of polarized ceramics carrying a functionally graded material (FGM) layer is analytically investigated in this paper from the three-dimensional equations of linear piezoelectricity. The analytical solutions are obtained for the dispersion relations of Love wave propagating in this kind of structure with initial stress for both electrical open case and electrical short case, respectively. One numerical example is given to graphically illustrate the effect of initial stress on dispersive curve, phase velocity and electromechanical coupling factor of the Love wave propagation. The results reported here are meaningful for the design of surface acoustic wave (SAW) devices with high performance.
International Nuclear Information System (INIS)
Nieto, M.M.
1978-01-01
When considering an elementary particle matrix element, of necessity one must make an assumption, which often goes unnoticed, as to what formalism should be used for the wave functions. A current or interaction Lagrangian-density matrix-element is of the form V = anti psi/sub out/GAMMA psi/sub in/, where psi/sub in/ and anti psi/sub out/ represent the physical ingoing and outgoing particles, and GAMMA represents the vertex function. A current must have the dimensions of (length) -3 = (mass) 3 in units of h = c = 1. psi/sub in/ and anti psi/sub out/ must be described in terms of the physical on-shell masses or else one has no phase space. It is only the vertex function which can be symmetric in the internal symmetry under consideration. The decision as to how much of the matrix element will be taken to be symmetric and how much of the matrix element will be taken to be associated with on-mass-shell wave functions is a fundamental assumption. Depending on how the assumption is made, different results will be predicted. Normally first-order Dirac wave functions, with dimensions (length) -3 / 2 and second-order Klein--Gordon wave functions with dimensions (length) -1 are considered for spin- 1 / 2 fermions and spin-O bosons, respectively. The types of new results which are obtained if, on the contrary, one chooses to consider bosons in the first-order Duffin--Kemmer--Petiau formalism are discussed. It is argued that the DKP formalism represents a complementary viewpoint to the spectrum generating approach. Both challenge the standard phenomenology: DKP by changing the wave function, spectrum generating by changing the vertex function
Using projector augmented-wave (PAW) formalism inside the density-functional perturbation theory
International Nuclear Information System (INIS)
Audouze, Ch.
2006-01-01
In condensed matter physics, ab-initio simulation allows to get macroscopic quantities (for example equations of state) from microscopic ones, as phonon frequencies which characterize the vibration Eigenmodes of the system. Therefore, one can theoretically predict the behavior of the material at very high pressure conditions, which can be out of reach by experiences. Computations of phonon spectrum are obtained thanks to the linear response theory, where the equations of Density Functional Theory (as the Kohn-Sham model) are perturbed around their fundamental state. The linear response functionality is one of the options included in the ABINIT code, which is an open source package developed in particular by a team of the CEA-DAM (DPTA) and the Catholic University of Louvain-la-Neuve (Belgium). Nevertheless, in spite of using pseudopotentials, computations of phonon spectrum are not tractable for heavy chemical elements, even on massively parallel computers. In order to overcome this difficulty, the linear response theory had to be extended to the PAW (Projector Augmented-Waves) formalism. In this CEA report, we first detail the PAW model, giving to it a more mathematical framework. Then we establish the linear response equations within the PAW formalism, up to the third order derivative of the total energy, for an isolated molecular system and for generic perturbations. Lastly, all these results are specified to the particular case of atom displacements and for perturbations associated to the change of an external potential in which the molecule is set. (author)
Biffi, C. A.; Tuissi, A.
2017-03-01
Thermal processing can affect the properties of smart materials, and the correct selection of the best manufacturing technology is fundamental for producing high tech smart devices, containing embedded functional properties. In this work cutting of thin superelastic Nitinol plates using a femtosecond (fs) and continuous wave (CW) laser was studied. Diamond shaped elements were cut to characterize the kerf qualitative features; microstructural analysis of the cross sections allowed identification of thermal damage characteristics introduced into the material during the laser processes. A thermally undamaged microstructure was observed for fs laser cutting, while CW was seen to be characterized by a large heat-affected zone. Functional properties were investigated by differential scanning calorimetry and tensile testing of laser cut microelements and of the reference material. It was seen that the martensitic transformation behavior of Nitinol is not affected by fs regime, while cw cutting provokes an effect equivalent to a high temperature thermal treatment in the material surrounding the cutting kerf, degradating the material properties. Finally, tensile testing indicated that superelastic performances were guaranteed by fs regime, while strong reduction of the recoverable strain was detected in the CW processed sample.
Effects of Simulated Heat Waves on Cardiovascular Functions in Senile Mice
Directory of Open Access Journals (Sweden)
Xiakun Zhang
2014-08-01
Full Text Available The mechanism of the effects of simulated heat waves on cardiovascular disease in senile mice was investigated. Heat waves were simulated in a TEM1880 meteorological environment simulation chamber, according to a heat wave that occurred in July 2001 in Nanjing, China. Eighteen senile mice were divided into control, heat wave, and heat wave BH4 groups, respectively. Mice in the heat wave and heat wave BH4 groups were exposed to simulated heat waves in the simulation chamber. The levels of ET-1, NO, HSP60, SOD, TNF, sICAM-1, and HIF-1α in each group of mice were measured after heat wave simulation. Results show that heat waves decreased SOD activity in the myocardial tissue of senile mice, increased NO, HSP60, TNF, sICAM-1, and HIF-1α levels, and slightly decreased ET-1 levels, BH4 can relieve the effects of heat waves on various biological indicators. After a comprehensive analysis of the experiments above, we draw the followings conclusions regarding the influence of heat waves on senile mice: excess HSP60 activated immune cells, and induced endothelial cells and macrophages to secrete large amounts of ICAM-1, TNF-α, and other inflammatory cytokines, it also activated the inflammation response in the body and damaged the coronary endothelial cell structure, which increased the permeability of blood vessel intima and decreased SOD activity in cardiac tissues. The oxidation of lipoproteins in the blood increased, and large amounts of cholesterol were generated. Cholesterol penetrated the intima and deposited on the blood vessel wall, forming atherosclerosis and leading to the occurrence of cardiovascular disease in senile mice. These results maybe are useful for studying the effects of heat waves on elderly humans, which we discussed in the discussion chapter.
International Nuclear Information System (INIS)
Ghirardi, G.C.; Rimini, A.; Weber, T.
1987-06-01
It is shown that the assumption of a stochastic localization process for the quantum wave function is essentially different from the suppression of coherence over macroscopic distances arising from the interaction with the environment and allows for a conceptually complete derivation of the classical behaviour of macroscopic bodies. (author). 4 refs
DEFF Research Database (Denmark)
Markussen, Troels; Kristensen, Philip Trøst; Tromborg, Bjarne
2006-01-01
Models of carrier dynamics in quantum dots rely strongly on adequate descriptions of the carrier wave functions. In this work we numerically solve the one-band effective mass Schrodinger equation to calculate the capture times of phonon-mediated carrier capture into self-assembled quantum dots...
Fracchia, F.; Filippi, Claudia; Amovilli, C.
2014-01-01
We present here several novel features of our recently proposed Jastrow linear generalized valence bond (J-LGVB) wave functions, which allow a consistently accurate description of complex potential energy surfaces (PES) of medium-large systems within quantum Monte Carlo (QMC). In particular, we
López-Rosa, S.; Esquivel, R. O.; Plastino, A. R.; Dehesa, J. S.
2015-09-01
In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range 1≤slant Z≤slant 10. The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10.
Receiver function analysis and preliminary body wave tomography of the MACOMO network in Madagascar
Pratt, M. J.; Wysession, M. E.; Wiens, D. A.; Nyblade, A.; Aleqabi, G. I.; Shore, P.; Rambolamana, G.; Sy Tanjona Andriampenomanana ny Ony, F.; Rakotondraibe, T.
2013-12-01
We present results from a set of seismological studies of the continental island of Madagascar using new seismic data from the NSF-funded MACOMO (MAdagascar, COmores, and MOzambique) IRIS PASSCAL broadband seismometer array. MACOMO involved the deployment during 2011-2013 of 26 broadband seismometers in Madagascar and 6 seismometers in Mozambique, providing the first seismic imaging across the world's 4th-largest island. We present preliminary crustal structure variations from receiver function analyses and body wave tomography results. We calculate radial receiver functions for all Madagascar stations and use the weighted linear regression methodology of Herrmann and Ammon [2002] to invert for shear velocity. Upper mantle and crustal structures from the receiver function analyses are used to help determine starting models for the teleseismic travel-time tomography. The tectonic structure of Madagascar is generally divided into four crustal blocks. Initial seismic imaging shows that the Archean Antongil block that runs along the east of the island has the thickest crust (>40 km) and three Proterozoic terranes that make up the central highlands and are bounded by fault and shear zones are closer to the average crustal thickness (35 km). There has been late Cenozoic intraplate volcanism in northern and central Madagascar (as recently as 1 million years ago), and different hypotheses for its origin will be evaluated by the preliminary results from the three different seismic studies. Complete analyses will be done incorporating seismic data from simultaneous and complementary array of both land- and ocean-based seismometers from French and German deployments.
Pratt, M. J.; Aleqabi, G. I.; Wysession, M. E.; Wiens, D. A.; Nyblade, A.; Shore, P.; Rambolamanana, G.; Tsiriandrimanana, R.; Andriampenomanana Ny Ony, F. S. T.
2014-12-01
The continental crust and upper mantle velocity structure beneath Madagascar remained poorly constrained until recent deployments of broadband seismic instrumentation across the island. The MACOMO (MAdagascar, COmoros and MOzambique), RHUM-RUM (Réunion Hotspot and Upper Mantle - Réunions Unterer Mantel) and the Madagascar Seismic Profile experiments have opened up this region to be studied in detail for the first time. The island is an amalgamation of an Archean craton, associated with the Western Dhawar craton of southern India, and a series of Proterozoic terranes that comprise the backbone of the island (Tucker et al., 2010). A receiver-function analysis has provided both the first Moho depth measurements and spatially discrete 1-D shear velocity results that matched well with known tectonic regions. To provide a more continuous 2-D and 3-D velocity structure map, teleseismic surface wave analysis is employed. Using Helmholtz tomography as implemented by the ASWMS package (Ge, Gaherty and Hutko; 2014), we are able to map phase velocities from the cross-correlation of station pairs at periods 20-100 s. At periods 20-40 s our results compare well with ambient noise analysis results (see poster by Wysession et al. (this meeting)). The prominent features of these results are a distinct low phase-velocity sector beneath the central Itasy region, with a secondary low phase-velocity region to the north of the island. Both the central part of the island and the northern region have experienced geothermal activity in recent times as well as volcanic activity within the last 10,000 years. This may suggest that the crust and underlying mantle in these regions remains at relatively higher temperatures than the surrounding rock. Combining this information with receiver-function analysis, we jointly invert our data for the shear velocity structure. These analyses will constrain the upper mantle seismic velocities in the region, allowing further analysis from body waves to
Keith, Todd A; Frisch, Michael J
2011-11-17
Scalar-relativistic, all-electron density functional theory (DFT) calculations were done for free, neutral atoms of all elements of the periodic table using the universal Gaussian basis set. Each core, closed-subshell contribution to a total atomic electron density distribution was separately fitted to a spherical electron density function: a linear combination of s-type Gaussian functions. The resulting core subshell electron densities are useful for systematically and compactly approximating total core electron densities of atoms in molecules, for any atomic core defined in terms of closed subshells. When used to augment the electron density from a wave function based on a calculation using effective core potentials (ECPs) in the Hamiltonian, the atomic core electron densities are sufficient to restore the otherwise-absent electron density maxima at the nuclear positions and eliminate spurious critical points in the neighborhood of the atom, thus enabling quantum theory of atoms in molecules (QTAIM) analyses to be done in the neighborhoods of atoms for which ECPs were used. Comparison of results from QTAIM analyses with all-electron, relativistic and nonrelativistic molecular wave functions validates the use of the atomic core electron densities for augmenting electron densities from ECP-based wave functions. For an atom in a molecule for which a small-core or medium-core ECPs is used, simply representing the core using a simplistic, tightly localized electron density function is actually sufficient to obtain a correct electron density topology and perform QTAIM analyses to obtain at least semiquantitatively meaningful results, but this is often not true when a large-core ECP is used. Comparison of QTAIM results from augmenting ECP-based molecular wave functions with the realistic atomic core electron densities presented here versus augmenting with the limiting case of tight core densities may be useful for diagnosing the reliability of large-core ECP models in
Sugisaki, Kenji; Yamamoto, Satoru; Nakazawa, Shigeaki; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji
2016-08-18
Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of open-shell molecules, based on the addition theorem of angular momentum. The proposed quantum algorithm enables us to prepare the wave function consisting of an exponential number of Slater determinants only by a polynomial number of quantum operations.
Trajectories for the wave function of the universe from a simple detector model
International Nuclear Information System (INIS)
Halliwell, J. J.
2001-01-01
Inspired by Mott's analysis of particle tracks in a cloud chamber, we consider a simple model for quantum cosmology which includes, in the total Hamiltonian, model detectors registering whether or not the system, at any stage in its entire history, passes through a series of regions in configuration space. We thus derive a variety of well-defined formulas for the probabilities for trajectories associated with the solutions to the Wheeler-DeWitt equation. The probability distribution is peaked about classical trajectories in configuration space. The 'measured' wave functions still satisfy the Wheeler-DeWitt equation, except for small corrections due to the disturbance of the measuring device. With modified boundary conditions, the measurement amplitudes essentially agree with an earlier result of Hartle derived on rather different grounds. In the special case where the system is a collection of harmonic oscillators, the interpretation of the results is aided by the introduction of 'timeless' coherent states--eigenstates of the Hamiltonian which are concentrated about entire classical trajectories
Multifractality of wave functions on a Cayley tree: From root to leaves
Sonner, M.; Tikhonov, K. S.; Mirlin, A. D.
2017-12-01
We explore the evolution of wave-function statistics on a finite Bethe lattice (Cayley tree) from the central site ("root") to the boundary ("leaves"). We show that the eigenfunction moments Pq=N〈|ψ | 2 q(i ) 〉 exhibit a multifractal scaling Pq∝N-τq with the volume (number of sites) N at N →∞ . The multifractality spectrum τq depends on the strength of disorder and on the parameter s characterizing the position of the observation point i on the lattice. Specifically, s =r /R , where r is the distance from the observation point to the root, and R is the "radius" of the lattice. We demonstrate that the exponents τq depend linearly on s and determine the evolution of the spectrum with increasing disorder, from delocalized to the localized phase. Analytical results are obtained for the n -orbital model with n ≫1 that can be mapped onto a supersymmetric σ model. These results are supported by numerical simulations (exact diagonalization) of the conventional (n =1 ) Anderson tight-binding model.
A 1D pulse wave propagation model of the hemodynamics of calf muscle pump function.
Keijsers, J M T; Leguy, C A D; Huberts, W; Narracott, A J; Rittweger, J; van de Vosse, F N
2015-07-01
The calf muscle pump is a mechanism which increases venous return and thereby compensates for the fluid shift towards the lower body during standing. During a muscle contraction, the embedded deep veins collapse and venous return increases. In the subsequent relaxation phase, muscle perfusion increases due to increased perfusion pressure, as the proximal venous valves temporarily reduce the distal venous pressure (shielding). The superficial and deep veins are connected via perforators, which contain valves allowing flow in the superficial-to-deep direction. The aim of this study is to investigate and quantify the physiological mechanisms of the calf muscle pump, including the effect of venous valves, hydrostatic pressure, and the superficial venous system. Using a one-dimensional pulse wave propagation model, a muscle contraction is simulated by increasing the extravascular pressure in the deep venous segments. The hemodynamics are studied in three different configurations: a single artery-vein configuration with and without valves and a more detailed configuration including a superficial vein. Proximal venous valves increase effective venous return by 53% by preventing reflux. Furthermore, the proximal valves shielding function increases perfusion following contraction. Finally, the superficial system aids in maintaining the perfusion during the contraction phase and reduces the refilling time by 37%. © 2015 The Authors. International Journal for Numerical Methods in Biomedical Engineering published by John Wiley & Sons Ltd.
Fourier transforms of single-particle wave functions in cylindrical coordinates
International Nuclear Information System (INIS)
Rizea, M.; Carjan, N.
2016-01-01
A formalism and the corresponding numerical procedures that calculate the Fourier transform of a single-particle wave function defined on a grid of cylindrical (ρ, z) coordinates is presented. Single-particle states in spherical and deformed nuclei have been chosen in view of future applications in the field of nuclear reactions. Bidimensional plots of the probability that the nucleon's momentum has a given value K = √(k ρ 2 +k z 2 ) are produced and from them the K -distributions are deduced. Three potentials have been investigated: (a) a sharp surface spherical well (i.e., of constant depth), (b) a spherical Woods-Saxon potential (i.e., diffuse surface) and (c) a deformed potential of Woods-Saxon type. In the first case the momenta are as well defined as allowed by the uncertainty principle. Depending on the state, their distributions have up to three separated peaks as a consequence of the up to three circular ridges of the bidimensional probabilities plots. In the second case the diffuseness allows very low momenta to be always populated thus creating tails towards the origin (K = 0). The peaks are still present but not well separated. In the third case the deformation transforms the above mentioned circular ridges into ellipses thus spreading the K-values along them. As a consequence the K-distributions have only one broad peak. (orig.)
Inflation including collapse of the wave function: the quasi-de Sitter case
Energy Technology Data Exchange (ETDEWEB)
Leon, Gabriel [Universidad de Buenos Aires, Ciudad Universitaria-PabI, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Buenos Aires (Argentina); Landau, Susana J. [Universidad de Buenos Aires y IFIBA, CONICET, Ciudad Universitaria-PabI, Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Buenos Aires (Argentina); Piccirilli, Maria Pia [Universidad Nacional de La Plata, Grupo de Astrofisica, Relatividad y Cosmologia, Facultad de Ciencias Astronomicas y Geofisicas, Pcia de Buenos Aires (Argentina)
2015-08-15
The precise physical mechanism describing the emergence of the seeds of cosmic structure from a perfect isotropic and homogeneous universe has not been fully explained by the standard version of inflationary models. To handle this shortcoming, D. Sudarsky and collaborators have developed a proposal: the self-induced collapse hypothesis. In this scheme, the objective collapse of the inflaton wave function is responsible for the emergence of inhomogeneity and anisotropy at all scales. In previous papers, the proposal was developed with an almost exact de Sitter space-time approximation for the background that led to a perfect scale-invariant power spectrum. In the present article, we consider a full quasi-de Sitter expansion and calculate the primordial power spectrum for three different choices of the self-induced collapse. The consideration of a quasi-de Sitter background allows us to distinguish departures from an exact scale-invariant power spectrum that are due to the inclusion of the collapse hypothesis. These deviations are also different from the prediction of standard inflationary models with a running spectral index. A comparison with the primordial power spectrum and the CMB temperature fluctuation spectrum preferred by the latest observational data is also discussed. From the analysis performed in this work, it follows that most of the collapse schemes analyzed in this paper are viable candidates to explain the present observations of the CMB fluctuation spectrum. (orig.)
Inflation including collapse of the wave function: the quasi-de Sitter case
International Nuclear Information System (INIS)
Leon, Gabriel; Landau, Susana J.; Piccirilli, Maria Pia
2015-01-01
The precise physical mechanism describing the emergence of the seeds of cosmic structure from a perfect isotropic and homogeneous universe has not been fully explained by the standard version of inflationary models. To handle this shortcoming, D. Sudarsky and collaborators have developed a proposal: the self-induced collapse hypothesis. In this scheme, the objective collapse of the inflaton wave function is responsible for the emergence of inhomogeneity and anisotropy at all scales. In previous papers, the proposal was developed with an almost exact de Sitter space-time approximation for the background that led to a perfect scale-invariant power spectrum. In the present article, we consider a full quasi-de Sitter expansion and calculate the primordial power spectrum for three different choices of the self-induced collapse. The consideration of a quasi-de Sitter background allows us to distinguish departures from an exact scale-invariant power spectrum that are due to the inclusion of the collapse hypothesis. These deviations are also different from the prediction of standard inflationary models with a running spectral index. A comparison with the primordial power spectrum and the CMB temperature fluctuation spectrum preferred by the latest observational data is also discussed. From the analysis performed in this work, it follows that most of the collapse schemes analyzed in this paper are viable candidates to explain the present observations of the CMB fluctuation spectrum. (orig.)
Wang, Zhiyuan; Hazzard, Kaden R. A.
2018-03-01
We study Read and Green's mean-field model of the spinless px+i py superconductor [N. Read and D. Green, Phys. Rev. B 61, 10267 (2000), 10.1103/PhysRevB.61.10267] at a special set of parameters where we find the analytic expressions for the topologically degenerate ground states and the Majorana modes, including in finite systems with edges and in the presence of an arbitrary number of vortices. The wave functions of these ground states are similar (but not always identical) to the Moore-Read Pfaffian states proposed for the ν =5/2 fractional quantum Hall system, which are interpreted as the p -wave superconducting states of composite fermions. The similarity in the long-wavelength universal properties is expected from previous work, but at the special point studied herein the wave functions are exact even for short-range, nonuniversal properties. As an application of these results, we show how to obtain the non-Abelian statistics of the vortex Majorana modes by explicitly calculating the analytic continuation of the ground state wave functions when vortices are adiabatically exchanged, an approach different from the previous one based on universal arguments. Our results are also useful for constructing particle-number-conserving (and interacting) Hamiltonians with exact projected mean-field states.
Propagation of elastic waves in an anisotropic functionally graded hollow cylinder in vacuum.
Baron, Cécile
2011-02-01
As a non-destructive, non-invasive and non-ionizing evaluation technique for heterogeneous media, the ultrasonic method is of major interest in industrial applications but especially in biomedical fields. Among the unidirectionally heterogeneous media, the continuously varying media are a particular but widespread case in natural materials. The first studies on laterally varying media were carried out by geophysicists on the Ocean, the atmosphere or the Earth, but the teeth, the bone, the shells and the insects wings are also functionally graded media. Some of them can be modeled as planar structures but a lot of them are curved media and need to be modeled as cylinders instead of plates. The present paper investigates the influence of the tubular geometry of a waveguide on the propagation of elastic waves. In this paper, the studied structure is an anisotropic hollow cylinder with elastic properties (stiffness coefficients c(ij) and mass density ρ) functionally varying in the radial direction. An original method is proposed to find the eigenmodes of this waveguide without using a multilayered model for the cylinder. This method is based on the sextic Stroh's formalism and an analytical solution, the matricant, explicitly expressed under the Peano series expansion form. This approach has already been validated for the study of an anisotropic laterally-graded plate (Baron et al., 2007; Baron and Naili, 2010) [6,5]. The dispersion curves obtained for the radially-graded cylinder are compared to the dispersion curves of a corresponding laterally-graded plate to evaluate the influence of the curvature. Preliminary results are presented for a tube of bone in vacuum modelling the in vitro conditions of bone strength evaluation. Copyright © 2010 Elsevier B.V. All rights reserved.
Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study
Czech Academy of Sciences Publication Activity Database
Plasser, F.; Crespo-Otero, R.; Pederzoli, Marek; Pittner, Jiří; Lischka, H.; Barbatti, M.
2014-01-01
Roč. 10, č. 4 (2014), s. 1395-1405 ISSN 1549-9618 R&D Projects: GA ČR(CZ) GAP208/12/0559 Institutional support: RVO:61388955 Keywords : density-functional theory * resolved photoelectron spectroscopy * nonadiabatic molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.498, year: 2014
Wess, Othmar
2005-04-01
Since 1980 shock waves have proven effective in the field of extracorporeal lithotripsy. More than 10 years ago shock waves were successfully applied for various indications such as chronic pain, non-unions and, recently, for angina pectoris. These fields do not profit from the disintegration power but from stimulating and healing effects of shock waves. Increased metabolism and neo-vascularization are reported after shock wave application. According to C. J. Wang, a biological cascade is initiated, starting with a stimulating effect of physical energy resulting in increased circulation and metabolism. Pathological memory of neural control patterns is considered the reason for different pathologies characterized by insufficient metabolism. This paper presents a neural model for reorganization of pathological reflex patterns. The model acts on associative memory functions of the brain based on modification of synaptic junctions. Accordingly, pathological memory effects of the autonomous nervous system are reorganized by repeated application of shock waves followed by development of normal reflex patterns. Physiologic control of muscle and vascular tone is followed by increased metabolism and tissue repair. The memory model may explain hyper-stimulation effects in pain therapy.
International Nuclear Information System (INIS)
Li, Peng; Jin, Feng; Cao, Xiao-Shan
2013-01-01
The effect of functional graded piezoelectric materials on the propagation of thickness-twist waves is investigated through equations of the linear theory of piezoelectricity. The elastic and piezoelectric coefficients, dielectric permittivity, and mass density are assumed to change in a linear form but with different graded parameters along the wave propagation direction. We employ the power-series technique to solve the governing differential equations with variable coefficients attributed to the different graded parameters and prove the correction and convergence of this method. As a special case, the functional graded middle layer resulting from piezoelectric damage and material bonding is investigated. Piezoelectric damaged material can facilitate energy trapping, which is impossible in perfect materials. The increase in the damaged length and the reduction in the piezoelectric coefficient decrease the resonance frequency but increase the number of modes. Higher modes of thickness-twist waves appear periodically along the damaged length. Moreover, the displacement of the center of the damaged portion is neither symmetric nor anti-symmetric, unlike the non-graded plate. The conclusions are theoretically and practically significant for wave devices. (paper)
Wu, Zhenbo; Xu, Tao; Liang, Chuntao; Wu, Chenglong; Liu, Zhiqiang
2018-03-01
The northeastern (NE) Tibet records and represents the far-field deformation response of the collision between the Indian and Eurasian plates in the Cenozoic time. Over the past two decades, studies have revealed the existence of thickened crust in the NE Tibet, but the thickening mechanism is still in debate. We deployed a passive-source seismic profile with 22 temporary broad-band seismic stations in the NE Tibet to investigate the crustal shear wave velocity structure in this region. We selected 288 teleseismic events located in the west Pacific subduction zone near Japan with similar ray path to calculate P-wave receiver functions. Neighbourhood algorithm method is applied to invert the shear wave velocity beneath stations. The inversion result shows a low-velocity zone (LVZ) is roughly confined to the Songpan-Ganzi block and Kunlun mountains and extends to the southern margin of Gonghe basin. Considering the low P-wave velocity revealed by the wide-angle reflection-refraction seismic experiment and high ratio of Vp/Vs based on H-κ grid searching of the receiver functions in this profile, LVZ may be attributed to partial melting induced by temperature change. This observation appears to be consistent with the crustal ductile deformation in this region derived from other geophysical investigations.
Baryon scattering at high energies. Wave function, impact factor, and gluon radiation
International Nuclear Information System (INIS)
Bartels, J.; Motyka, L.; Jagellonian Univ., Krakow
2007-11-01
The scattering of a baryon consisting of three massive quarks is investigated in the high energy limit of perturbative QCD. A model of a relativistic proton-like wave function, dependent on valence quark longitudinal and transverse momenta and on quark helicities, is proposed, and we derive the baryon impact factors for two, three and four t-channel gluons. We find that the baryonic impact factor can be written as a sum of three pieces: in the first one a subsystem consisting of two of the three quarks behaves very much like the quark-antiquark pair in γ * scattering, whereas the third quark acts as a spectator. The second term belongs to the odderon, whereas in the third (C-even) piece all three quarks participate in the scattering. This term is new and has no analogue in γ * scattering. We also study the small x evolution of gluon radiation for each of these three terms. The first term follows the same pattern of gluon radiation as the γ * -initiated quark-antiquark dipole, and, in particular, it contains the BFKL evolution followed by the 2→4 transition vertex (triple Pomeron vertex). The odderon-term is described by the standard BKP evolution, and the baryon couples to both known odderon solutions, the Janik-Wosiek solution and the BLV solution. Finally, the t-channel evolution of the third term starts with a three reggeized gluon state which then, via a new 3→4 transition vertex, couples to the four gluon (two-Pomeron) state. We briefly discuss a few consequences of these findings, in particular the pattern of unitarization of high energy baryon scattering amplitudes. (orig.)
Kohno, Wataru; Kirikoshi, Akimitsu; Kita, Takafumi
2018-03-01
We construct a variational ground-state wave function of weakly interacting M-component Bose-Einstein condensates beyond the mean-field theory by incorporating the dynamical 3/2-body processes, where one of the two colliding particles drops into the condensate and vice versa. Our numerical results with various masses and particle numbers show that the 3/2-body processes between different particles make finite contributions to lowering the ground-state energy, implying that many-body correlation effects between different particles are essential even in the weak-coupling regime of the Bose-Einstein condensates. We also consider the stability condition for 2-component miscible states using the new ground-state wave function. Through this calculation, we obtain the relation UAB2/UAAUBB originates from the 3/2- and 2-body processes.
Kirichuk, V F; Maĭborodin, A V; Volin, M V; Krenitskiĭ, A P; Tupikin, V D
2001-01-01
A comparative analysis was made of the effect of two kinds of EMI MMD-radiation: EMI MMD-waves, generated by a vehicle "Jav-1 M" (42.2 and 53.5 HHz), and EMI MMD-waves exerting influence with frequencies of molecular spectrum of radiation and nitric oxide absorption (150.176-150.644 HHz), obtained with a specially created generator, with respect to their influence on the functional ability of platelets of unstable angina pectoris patients. It was shown that in vitro EMI MMD-fluctuations with frequencies of molecular spectrum of radiation and nitric oxide absorption exert a stronger inhibiting influence on the functional activity of platelets of unstable angina pectoris patients. Features of the action of various kinds of EMI MMD-effect on the activative-high-speed characteristics of platelet aggregation are shown.
International Nuclear Information System (INIS)
West, Aaron C.; Schmidt, Michael W.; Gordon, Mark S.; Ruedenberg, Klaus
2013-01-01
Through a basis-set-independent web of localizing orbital-transformations, the electronic wave function of a molecule is expressed in terms of a set of orbitals that reveal the atomic structure and the bonding pattern of a molecule. The analysis is based on resolving the valence orbital space in terms of an internal space, which has minimal basis set dimensions, and an external space. In the internal space, oriented quasi-atomic orbitals and split-localized molecular orbitals are determined by new, fast localization methods. The density matrix between the oriented quasi-atomic orbitals as well as the locations of the split-localized orbitals exhibit atomic populations and inter-atomic bonding patterns. A correlation-adapted quasi-atomic basis is determined in the external orbital space. The general formulations are specified in detail for Hartree-Fock wave functions. Applications to specific molecules exemplify the general scheme
Giner, Emmanuel; Tenti, Lorenzo; Angeli, Celestino; Malrieu, Jean-Paul
2016-09-01
The impact of the antisymmetrization is often addressed as a local property of the many-electron wave function, namely that the wave function should vanish when two electrons with parallel spins are in the same position in space. In this paper, we emphasize that this presentation is unduly restrictive: we illustrate the strong non-local character of the antisymmetrization principle, together with the fact that it is a matter of spin symmetry rather than spin parallelism. To this aim, we focus our attention on the simplest representation of various states of two-electron systems, both in atomic (helium atom) and molecular (H2 and the π system of the ethylene molecule) cases. We discuss the non-local property of the nodal structure of some two-electron wave functions, both using analytical derivations and graphical representations of cuttings of the nodal hypersurfaces. The attention is then focussed on the impact of the antisymmetrization on the maxima of the two-body density, and we show that it introduces strong correlation effects (radial and/or angular) with a non-local character. These correlation effects are analyzed in terms of inflation and depletion zones, which are easily identifiable, thanks to the nodes of the orbitals composing the wave function. Also, we show that the correlation effects induced by the antisymmetrization occur also for anti-parallel spins since all Ms components of a given spin state have the same N-body densities. Finally, we illustrate that these correlation effects occur also for the singlet states, but they have strictly opposite impacts: the inflation zones in the triplet become depletion zones in the singlet and vice versa.
Asiri, Sharefa M.
2017-10-19
In this paper, a method based on modulating functions is proposed to estimate the Cerebral Blood Flow (CBF). The problem is written in an input estimation problem for a damped wave equation which is used to model the spatiotemporal variations of blood mass density. The method is described and its performance is assessed through some numerical simulations. The robustness of the method in presence of noise is also studied.
Energy Technology Data Exchange (ETDEWEB)
Kowalewski, Markus, E-mail: mkowalew@uci.edu; Mukamel, Shaul, E-mail: smukamel@uci.edu [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)
2015-07-28
Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings.
International Nuclear Information System (INIS)
Kowalewski, Markus; Mukamel, Shaul
2015-01-01
Femtosecond Stimulated Raman Spectroscopy (FSRS) signals that monitor the excited state conical intersections dynamics of acrolein are simulated. An effective time dependent Hamiltonian for two C—H vibrational marker bands is constructed on the fly using a local mode expansion combined with a semi-classical surface hopping simulation protocol. The signals are obtained by a direct forward and backward propagation of the vibrational wave function on a numerical grid. Earlier work is extended to fully incorporate the anharmonicities and intermode couplings
Evans functions and bifurcations of nonlinear waves of some nonlinear reaction diffusion equations
Zhang, Linghai
2017-10-01
The main purposes of this paper are to accomplish the existence, stability, instability and bifurcation of the nonlinear waves of the nonlinear system of reaction diffusion equations ut =uxx + α [ βH (u - θ) - u ] - w, wt = ε (u - γw) and to establish the existence, stability, instability and bifurcation of the nonlinear waves of the nonlinear scalar reaction diffusion equation ut =uxx + α [ βH (u - θ) - u ], under different conditions on the model constants. To establish the bifurcation for the system, we will study the existence and instability of a standing pulse solution if 0 1; the existence and instability of two standing wave fronts if 2 (1 + αγ) θ = αβγ and 0 0 is a positive constant, if 0 mathematical neuroscience.
Deringer, Volker L; George, Janine; Dronskowski, Richard; Englert, Ulli
2017-05-16
Molecular compounds, organic and inorganic, crystallize in diverse and complex structures. They continue to inspire synthetic efforts and "crystal engineering", with implications ranging from fundamental questions to pharmaceutical research. The structural complexity of molecular solids is linked with diverse intermolecular interactions: hydrogen bonding with all its facets, halogen bonding, and other secondary bonding mechanisms of recent interest (and debate). Today, high-resolution diffraction experiments allow unprecedented insight into the structures of molecular crystals. Despite their usefulness, however, these experiments also face problems: hydrogen atoms are challenging to locate, and thermal effects may complicate matters. Moreover, even if the structure of a crystal is precisely known, this does not yet reveal the nature and strength of the intermolecular forces that hold it together. In this Account, we show that periodic plane-wave-based density functional theory (DFT) can be a useful, and sometimes unexpected, complement to molecular crystallography. Initially developed in the solid-state physics communities to treat inorganic solids, periodic DFT can be applied to molecular crystals just as well: theoretical structural optimizations "help out" by accurately localizing the elusive hydrogen atoms, reaching neutron-diffraction quality with much less expensive measurement equipment. In addition, phonon computations, again developed by physicists, can quantify the thermal motion of atoms and thus predict anisotropic displacement parameters and ORTEP ellipsoids "from scratch". But the synergy between experiment and theory goes much further than that. Once a structure has been accurately determined, computations give new and detailed insights into the aforementioned intermolecular interactions. For example, it has been debated whether short hydrogen bonds in solids have covalent character, and we have added a new twist to this discussion using an orbital
Asano, Kimiyuki; Iwata, Tomotaka; Sekiguchi, Haruko; Somei, Kazuhiro; Miyakoshi, Ken; Aoi, Shin; Kunugi, Takashi
2017-08-01
Inter-station cross-correlation functions estimated using continuous ambient noise or microtremor records were used to extract the seismic wave propagation characteristics of the Osaka sedimentary basin, Japan. Temporary continuous observations were conducted at 15 sites in the Osaka basin between 2011 and 2013. The data were analyzed using seismic interferometry. The target period range was 2-8 s. Cross-correlations between all of the possible station pairs were calculated and stacked to produce a year-long data set, and Rayleigh wave signals in the vertical and radial components and Love wave signals in the transverse component were identified from the results. Simulation of inter-station Green's functions using the finite difference method was conducted to check the performance of the current three-dimensional velocity structure model. The measured time lag between the observed and theoretical Green's functions was less than 2 s for most station pairs, which is less than the wave period of interest in the target frequency range. Group velocity tomography was applied to group delay times estimated by means of multiple filter analysis. The estimated group velocities for longer periods of 5-8 s exhibited spatial variation within the basin, which is consistent with the bedrock depth distribution; however, the group velocities for shorter periods of 2-3 s were almost constant over the studied area. The waveform and group velocity information obtained by seismic interferometry analysis can be useful for future reconstruction of a three-dimensional velocity structure model in the Osaka basin.[Figure not available: see fulltext.
Kinetics of parametric instabilities of Alfven waves: Evolution of ion distribution functions
Czech Academy of Sciences Publication Activity Database
Matteini, L.; Landi, S.; Velli, M.; Hellinger, Petr
2010-01-01
Roč. 115, September (2010), A09106/1-A09106/12 ISSN 0148-0227 Institutional research plan: CEZ:AV0Z10030501 Keywords : Alfvén waves * evolution Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 3.303, year: 2010
Directory of Open Access Journals (Sweden)
Zhen Qu
2016-01-01
Full Text Available Subsurface damage could affect the service life of structures. In nuclear engineering, nondestructive evaluation and detection of the evaluation of the subsurface damage region are of great importance to ensure the safety of nuclear installations. In this paper, we propose the use of circumferential horizontal shear (SH waves to detect mechanical properties of subsurface regions of damage on cylindrical structures. The regions of surface damage are considered to be functionally graded material (FGM and the cylinder is considered to be a layered structure. The Bessel functions and the power series technique are employed to solve the governing equations. By analyzing the SH waves in the 12Cr-ODS ferritic steel cylinder, which is frequently applied in the nuclear installations, we discuss the relationship between the phase velocities of SH waves in the cylinder with subsurface layers of damage and the mechanical properties of the subsurface damaged regions. The results show that the subsurface damage could lead to decrease of the SH waves’ phase velocity. The gradient parameters, which represent the degree of subsurface damage, can be evaluated by the variation of the SH waves’ phase velocity. Research results of this study can provide theoretical guidance in nondestructive evaluation for use in the analysis of the reliability and durability of nuclear installations.
Gao, Liming; Ji, Wang; Zheng, Zhong; Jianke, Du
2008-02-01
In a homogeneous plate, Rayleigh waves will have a symmetric and anti-symmetric mode regarding to the mid-plane with different phase velocities. If plate properties vary along the thickness, or the plate is of functionally graded material (FGM), the symmetry of modes and frequency behavior will be modified, thus producing different features for engineering applications such as amplifying or reducing the velocity and deformation. This kind of effect can also be easily realized by utilizing a layered structure with desired material properties that can produce these effects in terms of velocity and displacements, since Rayleigh waves in a solid with general material property grading schemes are difficult to analyze with known methods. Solutions from layered structures with exponential and polynomial property grading schemes are obtained from the layered model and comparisons with known analytical results are made to validate the method and examine possible applications of such structures in engineering.
Grassi, Davide; Desideri, Giovambattista; Necozione, Stefano; Ruggieri, Fabrizio; Blumberg, Jeffrey B; Stornello, Michele; Ferri, Claudio
2012-09-01
Nitric oxide plays a pivotal role in regulating vascular tone. Different studies show endothelial function is impaired during hyperglycemia. Dark chocolate increases flow-mediated dilation in healthy and hypertensive subjects with and without glucose intolerance; however, the effect of pretreatment with dark chocolate on endothelial function and other vascular responses to hyperglycemia has not been examined. Therefore, we aimed to investigate the effects of flavanol-rich dark chocolate administration on (1) flow-mediated dilation and wave reflections; (2) blood pressure, endothelin-1 and oxidative stress, before and after oral glucose tolerance test (OGTT). Twelve healthy volunteers (5 males, 28.2±2.7 years) randomly received either 100 g/d dark chocolate or flavanol-free white chocolate for 3 days. After 7 days washout period, volunteers were switched to the other treatment. Flow-mediated dilation, stiffness index, reflection index, peak-to-peak time, blood pressure, endothelin-1 and 8-iso-PGF(2α) were evaluated after each treatment phase and OGTT. Compared with white chocolate, dark chocolate ingestion improved flow-mediated dilation (P=0.03), wave reflections, endothelin-1 and 8-iso-PGF(2α) (Pchocolate ingestion, flow-mediated dilation was reduced after OGTT from 7.88±0.68 to 6.07±0.76 (P=0.027), 6.74±0.51 (P=0.046) at 1 and 2 h after the glucose load, respectively. Similarly, after white chocolate but not after dark chocolate, wave reflections, blood pressure, and endothelin-1 and 8-iso-PGF(2α) increased after OGTT. OGTT causes acute, transient impairment of endothelial function and oxidative stress, which is attenuated by flavanol-rich dark chocolate. These results suggest cocoa flavanols may contribute to vascular health by reducing the postprandial impairment of arterial function associated with the pathogenesis of atherosclerosis.
Energy Technology Data Exchange (ETDEWEB)
Deta, U. A., E-mail: utamaalan@yahoo.co.id [Theoretical Physics Group, Physics Department of Post Graduate Program, Sebelas Maret University, Jl. Ir. Sutami 36A, Surakarta 57126, Indonesia and Physics Department, State University of Surabaya, Jl. Ketintang, Surabaya 60231 (Indonesia); Suparmi,; Cari,; Husein, A. S.; Yuliani, H.; Khaled, I. K. A.; Luqman, H.; Supriyanto [Theoretical Physics Group, Physics Department of Post Graduate Program, Sebelas Maret University, Jl. Ir. Sutami 36A, Surakarta 57126 (Indonesia)
2014-09-30
The Energy Spectra and Wave Function of Schrodinger equation in D-Dimensions for trigonometric Rosen-Morse potential were investigated analytically using Nikiforov-Uvarov method. This potential captures the essential traits of the quark-gluon dynamics of Quantum Chromodynamics. The approximate energy spectra are given in the close form and the corresponding approximate wave function for arbitrary l-state (l ≠ 0) in D-dimensions are formulated in the form of differential polynomials. The wave function of this potential unnormalizable for general case. The wave function of this potential unnormalizable for general case. The existence of extra dimensions (centrifugal factor) and this potential increase the energy spectra of system.
Energy Technology Data Exchange (ETDEWEB)
Yunta Carretero; Rodriguez Mayquez, E.
1974-07-01
In this paper is described the objective, basis, carrying out in FORTRAN language and use of the program ORBITALES. This program calculate atomic wave function in the case of ths analytical central potential (Author) 8 refs.
Fang, Honghua; Balazs, Daniel M.; Protesescu, Loredana; Kovalenko, Maksym V.; Loi, Maria Antonietta
2015-01-01
Colloidal semiconductor quantum dots (QDs) are extraordinarily appealing for the development of cheap and large area solar cells due to high absorption efficiency; tunable bandgap energies; and solution processability. Understanding:and controlling electronic wave function delocalitation in QD thin
International Nuclear Information System (INIS)
Ahmed, M.A.
2013-01-01
There is growing body of evidence that usage of computers can adversely affect the visual health. Considering the rising number of computer users in Egypt, computer-related visual symptoms might take an epidemic form. In view of that, this study was undertaken to find out the magnitude of the visual problems in computer operators and its relationship with various personal and workplace factors. Aim: To evaluate the probable effects of exposure to electromagnetic waves radiated from visual display terminals on some visual functions. Subjects and Methods: hundred fifty computer operators working in different institutes were randomly selected. They were asked to fill a pre-tested questionnaire (written in Arabic), after obtaining their verbal consent. The selected exposed subjects were were subjected to the following clinical assessment: 1-Visual acuity measurements 2-Refraction (using autorefractometer). 3- Measurements of the ocular dryness defects using the following different diagnostic tests: Schirmer test-,Fluorescein staining , Rose Bengal staining, Tear Break Up Time (TBUT) and LIPCOF test (lid parallel conjunctival fold). A control group included hundred fifty participants, they are working in a field does not necessitate exposure to video display terminals. Inclusion criteria of the subjects were as follows: minimum three symptoms of computer vision syndrome (CVS), minimum one year exposure to (VDT, s) and minimum 6 hs/day in 5working days/week. Exclusion criteria included candidates having ocular pathology like: glaucoma, optic atrophy, diabetic retinopathy, papilledema The following complaints were studied: 1-Tired eyes. 2- Burning eyes with excessive tear production. 3-Dry sore eyes 4-Blurred near vision (letters on the screen run together). 5-Asthenopia. 6-Neck, shoulder and back aches, overall bodily fatigue or tiredness. An interventional protective measure for the selected subjects from the exposed group was administered, it included the following (1
1984-03-01
bridge the gap between nonlinear periodic waves and their properties and the random nonlinear wave found in nature. Mansard and Funke (1982) needed to...14 illustrate attempts by Mansard and Funke C 1982 ) to generate various wave forms at a measurement point 22.8 m from the generator. The left hand...5.0 10.0 15.0 20.0 0 5.0 10.0 15.0 20.0 TIME (S) *FIGURE 14 Desired and Measured Transients obtained in a Wave Tank. Redrawn from Mansard and Funke
Nicol, David S; Hamilton, Ruth; Shahani, Uma; McCulloch, Daphne L
2011-02-01
Steady-state VEPs to full-field flicker (FFF) using sinusoidally modulated light were compared with those elicited by square-wave modulated light across a wide range of stimulus frequencies with monocular and binocular FFF stimulation. Binocular and monocular VEPs were elicited in 12 adult volunteers to FFF with two modes of temporal modulation: sinusoidal or square-wave (abrupt onset and offset, 50% duty cycle) at ten temporal frequencies ranging from 2.83 to 58.8 Hz. All stimuli had a mean luminance of 100 cd/m(2) with an 80% modulation depth (20-180 cd/m(2)). Response magnitudes at the stimulus frequency (F1) and at the double and triple harmonics (F2 and F3) were compared. For both sinusoidal and square-wave flicker, the FFF-VEP magnitudes at F1 were maximal for 7.52 Hz flicker. F2 was maximal for 5.29 Hz flicker, and F3 magnitudes are largest for flicker stimulation from 3.75 to 7.52 Hz. Square-wave flicker produced significantly larger F1 and F2 magnitudes for slow flicker rates (up to 5.29 Hz for F1; at 2.83 and 3.75 Hz for F2). The F3 magnitudes were larger overall for square-wave flicker. Binocular FFF-VEP magnitudes are larger than those of monocular FFF-VEPs, and the amount of this binocular enhancement is not dependant on the mode of flicker stimulation (mean binocular: monocular ratio 1.41, 95% CI: 1.2-1.6). Binocular enhancement of F1 for 21.3 Hz flicker was increased to a factor of 2.5 (95% CI: 1.8-3.5). In the healthy adult visual system, FFF-VEP magnitudes can be characterized by the frequency-response functions of F1, F2 and F3. Low-frequency roll-off in the FFF-VEP magnitudes is greater for sinusoidal flicker than for square-wave flicker for rates ≤ 5.29 Hz; magnitudes for higher-frequency flicker are similar for the two types of flicker. Binocular FFF-VEPs are larger overall than those recorded monocularly, and this binocular summation is enhanced at 21.3 Hz in the mid-frequency range.
Kwon, Myoungjin; Gang, Moonhee; Oh, Kyongok
2013-12-01
The purpose of the study was to examine the effect of group music therapy on brain waves, behavior, and cognitive function among patients with chronic schizophrenia. A quasi-experimental pretest-posttest design was used with nonequivalent control group. The potential participants were recruited from inpatients in a psychiatric facility in a metropolitan city, assigned either to the experimental group (n = 28) or to the control group (n = 27) according to their wards to avoid treatment contamination. The experimental group participated in the group music therapy for 13 sessions over 7 weeks while continuing their standard treatment. The control group only received a standard treatment provided in the hospitals. The outcome measures include brain wave by electroencephalography, behavior by Nurses' Observation Scale for Inpatient Evaluation, and cognitive function by Mini-Mental State Examination. After participating in 13 sessions of the group music therapy, alpha waves measured from eight different sites were consistently present for the experimental group (p = .006-.045) than the control group, revealing that the participants in the music therapy may have experienced more joyful emotions throughout the sessions. The experimental group also showed improved cognitive function (F = 13.46, p = .001) and positive behavior (social competence, social interest & personal neatness) while their negative behaviors was significantly less than those of the control group (F = 24.04, p music therapy used in this study was an effective intervention for improving emotional relaxation, cognitive processing abilities along with positive behavioral changes in patients with chronic schizophrenia. Our results can be useful for establishing intervention strategies toward psychiatric rehabilitation for those who suffer from chronic mental illnesses. Copyright © 2013. Published by Elsevier B.V.
International Nuclear Information System (INIS)
Yu, Kuang; Libisch, Florian; Carter, Emily A.
2015-01-01
We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to our previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors
A functional integral approach to shock wave solutions of Euler equations with spherical symmetry
Yang, Tong
1995-08-01
For n×n systems of conservation laws in one dimension without source terms, the existence of global weak solutions was proved by Glimm [1]. Glimm constructed approximate solutions using a difference scheme by solving a class of Riemann problems. In this paper, we consider the Cauchy problem for the Euler equations in the spherically symmetric case when the initial data are small perturbations of the trivial solution, i.e., u≡0 and ρ≡ constant, where u is velocity and ρ is density. We show that this Cauchy problem can be reduced to an ideal nonlinear problem approximately. If we assume all the waves move at constant speeds in the ideal problem, by using Glimm's scheme and an integral approach to sum the contributions of the reflected waves that correspond to each path through the solution, we get uniform bounds on the L ∞ norm and total variational norm of the solutions for all time. The geometric effects of spherical symmetry leads to a non-integrable source term in the Euler equations. Correspondingly, we consider an infinite reflection problem and solve it by considering the cancellations between reflections of different orders in our ideal problem. Thus we view this as an analysis of the interaction effects at the quadratic level in a nonlinear model problem for the Euler equations. Although it is far more difficult to obtain estimates in the exact solutions of the Euler equations due to the problem of controlling the time at which the cancellations occur, we believe that this analysis of the wave behaviour will be the first step in solving the problem of existence of global weak solutions for the spherically symmetric Euler equations outside of fixed ball.
Energy Technology Data Exchange (ETDEWEB)
Vieira, H.S., E-mail: horacio.santana.vieira@hotmail.com [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, CEP 58051-970, João Pessoa, PB (Brazil); Centro de Ciências, Tecnologia e Saúde, Universidade Estadual da Paraíba, CEP 58233-000, Araruna, PB (Brazil); Bezerra, V.B., E-mail: valdir@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, CEP 58051-970, João Pessoa, PB (Brazil)
2016-10-15
We apply the confluent Heun functions to study the resonant frequencies (quasispectrum), the Hawking radiation and the scattering process of scalar waves, in a class of spacetimes, namely, the ones generated by a Kerr–Newman–Kasuya spacetime (dyon black hole) and a Reissner–Nordström black hole surrounded by a magnetic field (Ernst spacetime). In both spacetimes, the solutions for the angular and radial parts of the corresponding Klein–Gordon equations are obtained exactly, for massive and massless fields, respectively. The special cases of Kerr and Schwarzschild black holes are analyzed and the solutions obtained, as well as in the case of a Schwarzschild black hole surrounded by a magnetic field. In all these special situations, the resonant frequencies, Hawking radiation and scattering are studied. - Highlights: • Charged massive scalar field in the dyon black hole and massless scalar field in the Ernst spacetime are analyzed. • The confluent Heun functions are applied to obtain the solution of the Klein–Gordon equation. • The resonant frequencies are obtained. • The Hawking radiation and the scattering process of scalar waves are examined.
Energy Technology Data Exchange (ETDEWEB)
Mandal, Parikshit [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum, 731 235 West Bengal (India); Ghosh, Manas [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum, 731 235 West Bengal (India)], E-mail: pcmg77@rediffmail.com
2008-11-03
We explore the modulation of energy levels, wave functions and the dynamics of harmonically confined single electron quantum dots as a function of dot size. The system of interest is a 2-D system in the presence of a perpendicular magnetic field and anharmonic perturbations. We show that for given strengths of the confining potentials, descriptors like level spacing distribution and probability density reveal significant dependence on dot size. The pattern of time evolution of eigenstates of the unperturbed system is also analyzed when an external time varying electric field is switched on. The system reveals a long-time dynamics that leads to a kind of localization in the unperturbed state space. The dynamical features are also found to be size dependent. The presence of cubic anharmonicity in the confining field brings in new features in the dynamics.
International Nuclear Information System (INIS)
Mayers, J.
2001-01-01
The properties of the many-particle Schroedinger wave function Ψ are examined in the presence of Bose-Einstein condensation (BEC). It is shown that it is possible to define, in terms of Ψ, a function ψ(r-vector vertical bar s-vector), which can be regarded as the single-particle wave function of an arbitrary particle for a fixed configuration s-vector of all other particles. It is shown that ψ(r-vector|s-vector) plays an analogous role to the field operator of standard field-theoretical treatments of superfluidity. It is shown that in the presence of a Bose-Einstein condensate fraction f, ψ(r-vector|s-vector) must be nonzero and phase coherent within at least a fraction f of the total volume of the N-particle system for essentially all s-vector. Examination of the form of variational many-particle wave functions shows that in liquid 4 He, ψ(r-vector|s-vector) extends throughout the spaces left between the hard cores of the other atoms at s-vector. By contrast, in the absence of BEC, ψ(r-vector|s-vector) in the ground state must be nonzero only over a localized region of space. It is shown that in order for long-range phase coherence in ψ(r-vector|s-vector) to be maintained in the presence of velocity fields, any circulation must be quantized over macroscopic length scales. Some numerical calculations of the properties and fluctuations of liquid helium are presented. These suggest that the approach outlined in this paper may have significant advantages for the numerical calculations of the properties of Bose-Einstein condensed systems. The properties of ψ(r-vector|s-vector) are used to show that there is no general connection between the static structure factor and the size of the Bose-Einstein condensate fraction in a Bose fluid. It is suggested that the observed connection in liquid 4 He is due to the creation of vacancies in the liquid structure, which are required so that ψ(r-vector vertical bar s-vector) can delocalize, in the presence of hard
Cao, Xiaoshan; Shi, Junping; Jin, Feng
2012-06-01
The propagation behavior of Love waves in a layered structure that includes a functionally graded material (FGM) substrate carrying a piezoelectric thin film is investigated. Analytical solutions are obtained for both constant and gradient dielectric coefficients in the FGM substrate. Numerical results show that the gradient dielectric coefficient decreases phase velocity in any mode, and the electromechanical coupling factor significantly increases in the first- and secondorder modes. In some modes, the difference in Love waves' phase velocity between these two types of structure might be more than 1%, resulting in significant differences in frequency of the surface acoustic wave devices.
International Nuclear Information System (INIS)
Tokam, Alain-Pierre K.; Tabod, Charles T.; Nyblade, Andrew A.; Jordi Julia; Wiens, Douglas A.; Pasyanos, Michael E.
2009-09-01
The joint inversion of Rayleigh wave group velocities and receiver functions was carried out to investigate the crustal and uppermost mantle structures beneath Cameroon. This was achieved using data from 32 broadband seismic stations installed for 2 years across Cameroon. The Moho depth estimates reveal that the Precambrian crust is variable across the country and shows some significant differences compared to other similar geologic units in East and South Africa. These differences suggest that the setting of the Cameroon Volcanic Line (CVL) and the eastward extension of the Benue Trough have modified the crust of the Panafrican mobile belt in Cameroon by thinning beneath the Rift area and CVL. The velocity models obtained from the joint inversion show at most stations, a layer with shear wave velocities ≥ 4.0 km/s, indicating the presence of a mafic component in the lower crust, predominant beneath the Congo Craton. The lack of this layer at stations within the Panafrican mobile belt may partly explain the crustal thinning observed beneath the CVL and rift area. The significant presence of this layer beneath the Craton, results from the 2100 Ma magmatic events at the origin of the emplacement of swarms of mafic dykes in the region. The CVL stations are underlain by a crust of 35 km on average except near Mt-Cameroon where it is about 25 km. The crustal thinning observed beneath Mt. Cameroon supported by the observed positive gravity anomalies here, suggests the presence of dense astenospheric material within the lithosphere. Shear wave velocities are found to be slower in the crust and uppermost mantle beneath the CVL than the nearby tectonic terrains, suggesting that the origin of the line may be an entirely mantle process through the edge-flow convection process. (author)
Tokam, Alain-Pierre K.; Tabod, Charles T.; Nyblade, Andrew A.; Julià, Jordi; Wiens, Douglas A.; Pasyanos, Michael E.
2010-11-01
The Cameroon Volcanic Line (CVL) consists of a linear chain of Tertiary to Recent, generally alkaline, volcanoes that do not exhibit an age progression. Here we study crustal structure beneath the CVL and adjacent regions in Cameroon using 1-D shear wave velocity models obtained from the joint inversion of Rayleigh wave group velocities and P-receiver functions for 32 broad-band seismic stations deployed between 2005 January and 2007 February. We find that (1) crustal thickness (35-39km) and velocity structure is similar beneath the CVL and the Pan African Oubanguides Belt to the south of the CVL, (2) crust is thicker (43-48km) under the northern margin of the Congo Craton and is characterized by shear wave velocities >=4.0kms-1 in its lower part and (3) crust is thinner (26-31km) under the Garoua rift and the coastal plain. In addition, a fast velocity layer (Vs of 3.6-3.8kms-1) in the upper crust is found beneath many of the seismic stations. Crustal structure beneath the CVL and the Oubanguides Belt is very similar to Pan African crustal structure in the Mozambique Belt, and therefore it appears not to have been modified significantly by the magmatic activity associated with the CVL. The crust beneath the coastal plain was probably thinned during the opening of the southern Atlantic Ocean, while the crust beneath the Garoua rift was likely thinned during the formation of the Benue Trough in the early Cretaceous. We suggest that the thickened crust and the thick mafic lower crustal layer beneath the northern margin of the Congo Craton may be relict features from a continent-continent collision along this margin during the formation of Gondwana.
Shega, Joseph W; Sunkara, Priya D; Kotwal, Ashwin; Kern, David W; Henning, Sara L; McClintock, Martha K; Schumm, Philip; Waite, Linda J; Dale, William
2014-11-01
To describe the development of a multidimensional test of cognition for the National Social life, Health and Aging Project (NSHAP), the Chicago Cognitive Function Measure (CCFM). CCFM development included 3 steps: (a) A pilot test of the Montreal Cognitive Assessment (MoCA) to create a standard protocol, choose specific items, reorder items, and improve clarity; (b) integration into a CAPI-based format; and (c) evaluation of the performance of the CCFM in the field. The CCFM was subsequently incorporated into NSHAP, Wave 2 (n = 3,377). The pre-test (n = 120) mean age was 71.35 (SD 8.40); 53% were female, 69% white, and 70% with college or greater education. The MoCA took an average of 15.6min; the time for the CCFM was 12.0 min. CCFM scores (0-20) can be used as a continuous outcome or to adjust for cognition in a multivariable analysis. CCFM scores were highly correlated with MoCA scores (r = .973). Modeling projects MoCA scores from CCFM scores using the equation: MoCA = (1.14 × CCFM) + 6.83. In Wave 2, the overall weighted mean CCFM score was 13.9 (SE 0.13). A survey-based adaptation of the MoCA was successfully integrated into a nationally representative sample of older adults, NSHAP Wave 2. © The Author 2014. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.
Andreev, Pavel A.; Kuz'menkov, L. S.
2017-11-01
A consideration of waves propagating parallel to the external magnetic field is presented. The dielectric permeability tensor is derived from the quantum kinetic equations with non-trivial equilibrium spin-distribution functions in the linear approximation on the amplitude of wave perturbations. It is possible to consider the equilibrium spin-distribution functions with nonzero z-projection proportional to the difference of the Fermi steps of electrons with the chosen spin direction, while x- and y-projections are equal to zero. It is called the trivial equilibrium spin-distribution functions. In the general case, x- and y-projections of the spin-distribution functions are nonzero which is called the non-trivial regime. A corresponding equilibrium solution is found in Andreev [Phys. Plasmas 23, 062103 (2016)]. The contribution of the nontrivial part of the spin-distribution function appears in the dielectric permeability tensor in the additive form. It is explicitly found here. A corresponding modification in the dispersion equation for the transverse waves is derived. The contribution of the nontrivial part of the spin-distribution function in the spectrum of transverse waves is calculated numerically. It is found that the term caused by the nontrivial part of the spin-distribution function can be comparable with the classic terms for the relatively small wave vectors and frequencies above the cyclotron frequency. In a majority of regimes, the extra spin caused term dominates over the spin term found earlier, except the small frequency regime, where their contributions in the whistler spectrum are comparable. A decrease of the left-hand circularly polarized wave frequency, an increase of the high-frequency right-hand circularly polarized wave frequency, and a decrease of frequency changing by an increase of frequency at the growth of the wave vector for the whistler are found. A considerable decrease of the spin wave frequency is found either. It results in an
Ruud, K.; Bast, R.; Gao, B.; Thorvaldsen, A. J.; Ekstrom, U.E.; Visscher, L.
2012-01-01
We outline a new approach for the calculation of higher-order molecular properties for self-consistent field (SCF) wave functions (or Kohn-Sham density-functional theory) expressed in time- and perturbation-dependent basis sets. The approach is based on an atomic-orbital-based, open-ended
Energy Technology Data Exchange (ETDEWEB)
Yasukawa, H. [Mitsubishi Heavy Industries, Ltd., Tokyo (Japan)
1997-10-01
In order to avoid negative wave resistance (which is physically incomprehensible) generated in calculating wave resistance by using the Rankine source method, a proposal was made on a wave resistance calculation method using the Kochin function which describes behavior of speed potential in regions far apart from a hull. The Baba`s condition was used as a free surface condition for the speed potential which expresses wave motions around a hull. This has allowed a new Kochin function which uses as unknown the speed potential on the hull surface and the free surface near the hull to be defined and combined with the Rankine source method. A comparison was made between the calculated values for wave resistance, hull subsidence and trim change of an ore transporting vessel (SR107 type of ship) in a fully loaded condition and the result of water tank tests. The wave resistance values derived from pressure integration have all become negative when the Froude number is from 0.1 to 0.2, while no negative resistance has appeared in the calculations by using the Kochin function, but the result has agreed with that of the water tank tests. Accuracy of the calculations at low speeds was improved. The trim change in the calculations was slightly smaller than that in the water tank tests. The subsidence showed a good agreement. 7 refs., 1 fig.
García-Yeguas, A.; Sánchez-Alzola, A.; De Siena, L.; Prudencio, J.; Díaz-Moreno, A.; Ibáñez, J. M.
2018-03-01
We present a P-wave scattering image of the volcanic structures under Tenerife Island using the autocorrelation functions of P-wave vertical velocity fluctuations. We have applied a cluster analysis to total quality factor attenuation ( {Q}_t^{-1} ) and scattering quality factor attenuation ( {Q}_{PSc}^{-1} ) images to interpret the structures in terms of intrinsic and scattering attenuation variations on a 2D plane, corresponding to a depth of 2000 m, and check the robustness of the scattering imaging. The results show that scattering patterns are similar to total attenuation patterns in the south of the island. There are two main areas where patterns differ: at Cañadas-Teide-Pico Viejo Complex, high total attenuation and average-to-low scattering values are observed. We interpret the difference as induced by intrinsic attenuation. In the Santiago Ridge Zone (SRZ) region, high scattering values correspond to average total attenuation. In our interpretation, the anomaly is induced by an extended scatterer, geometrically related to the surficial traces of Garachico and El Chinyero historical eruptions and the area of highest seismic activity during the 2004-2008 seismic crises.
Fukushima, K; Wada, M; Sakurai, M
2008-06-01
In this study, we explored the general relationship between the three-dimensional (3D) structures of enzymes and their electronic wave functions. Furthermore, we developed a method for the prediction of their functionally important sites. For this purpose, we first performed linear-scaling molecular orbital calculations for 112 nonredundant, non-homologous enzymes with known structure and function. In consequence, we showed that the canonical molecular orbitals (MOs) of the enzymes could be classified into three groups according to the degree of electron delocalization: highly localized orbitals (Group A), highly delocalized orbitals whose electrons are distributed over almost the whole molecule (Group B), and moderately delocalized orbitals (Group C). The MOs belonging to Group A are located near the HOMO-LUMO band gap, and thereby include the frontier orbitals of a given enzyme. We inferred that the MOs of Group B play a role in stabilizing the 3D structure of the enzyme, while those of Group C contribute to constructing the covalent bond framework of the enzyme. Next, we investigated whether the frontier orbitals of enzymes could be used for identifying their potential functional sites. As a result, we found that the frontier orbitals of the 112 enzymes have a high propensity to be colocalized with the known functional sites, especially when the enzymes are hydrated. Such a propensity is shown to be remarkable when Glu or Asp is a functional site residue. On the basis of these results, we finally propose a protocol for the prediction of functional sites of enzymes. (c) 2008 Wiley-Liss, Inc.
Fedorov, M. V.; Sysoeva, A. A.; Vintskevich, S. V.; Grigoriev, D. A.
2018-03-01
The well-known Hong-Ou-Mandel effect is revisited. Two physical reasons are discussed for the effect to be less pronounced or even to disappear: differing polarizations of photons coming to the beamsplitter and delay time of photons in one of two channels. For the latter we use the concepts of biphoton frequency and temporal wave functions depending, correspondingly, on two frequency continuous variables of photons and on two time variables t 1 and t 2 interpreted as the arrival times of photons to the beamsplitter. Explicit expressions are found for the probability densities and total probabilities for photon pairs to be split between two channels after the beamsplitter and to be unsplit, when two photons appear together in one of two channels.
International Nuclear Information System (INIS)
Beshtoev, Kh.M.
2006-01-01
I have considered three-neutrino vacuum transitions and oscillations in the general case and obtained expressions for neutrino wave functions in three cases: with CP violation, without CP violation and in the case when direct ν e - ν τ transitions are absent β(θ 13 ) = 0 (some works indicate this possibility). Then using the existing experimental data some analysis has been fulfilled. This analysis definitely has shown that direct transitions ν e - ν τ cannot be closed for the Solar neutrinos, i. e., β(θ 13 ) ≠ 0. It is also shown that the possibility that β(θ 13 ) = 0 cannot be realized by using the mechanism of resonance enhancement of neutrino oscillations in matter (the Sun). It was found out that the probability of ν e - ν e neutrino transitions is a positive defined value, if in reality neutrino oscillations take place, only if the angle of ν e , ν τ mixing β ≤ 15 - 17 deg
Kwato-Njock, K
2002-01-01
A search is conducted for the determination of expectation values of r sup q between Dirac and quasirelativistic radial wave functions in the quantum-defect approximation. The phenomenological and supersymmetry-inspired quantum-defect models which have proven so far to yield accurate results are used. The recursive structure of formulae derived on the basis of the hypervirial theorem enables us to develop explicit relations for arbitrary values of q. Detailed numerical calculations concerning alkali-metal-like ions of the Li-, Na- and Cu-iso electronic sequences confirm the superiority of supersymmetry-based quantum-defect theory over quantum-defect orbital and exact orbital quantum number approximations. It is also shown that relativistic rather than quasirelativistic treatment may be used for consistent inclusion of relativistic effects.
Kwato-Njock, M G; Oumarou, B
2002-01-01
A search is conducted for the determination of expectation values of $r^q$ between Dirac and quasirelativistic radial wave functions in the quantum-defect approximation. The phenomenological and supersymmetry-inspired quantum-defect models which have proven so far to yield accurate results are used. The recursive structure of formulae derived on the basis of the hypervirial theorem enables us to develop explicit relations for arbitrary values of $q$. Detailed numerical calculations concerning alkali-metal-like ions of the Li-, Na- and Cu-iso electronic sequences confirm the superiority of supersymmetry-based quantum-defect theory over quantum-defect orbital and exact orbital quantum number approximations. It is also shown that relativistic rather than quasirelativistic treatment may be used for consistent inclusion of relativistic effects.
Electron-hydrogen atom inelastic scattering through a correlated wave function
International Nuclear Information System (INIS)
Serpa Vieira, A.E. de.
1984-01-01
The inelastic collision between an electron and a hydrogen atom is studied. A correlated function, used previously to the same system in elastic collisions in which there are two parameters fitted in the energy range studied, is utilized. With this functions an equation is developed for the direct and exchange transition matrix elements to the 15-25 and 15-2 p transitions. The obtained results are compared with Willians experimental measurements, as well the results given by the theoretical treatments of Kingston, Fon and Burke. (L.C.) [pt
Spin dynamics of qqq wave function on light front in high momentum limit of QCD: Role of qqq force
International Nuclear Information System (INIS)
Mitra, A.N.
2008-01-01
The contribution of a spin-rich qqq force (in conjunction with pairwise qq forces) to the analytical structure of the qqq wave function is worked out in the high momentum regime of QCD where the confining interaction may be ignored, so that the dominant effect is Coulombic. A distinctive feature of this study is that the spin-rich qqq force is generated by a ggg vertex (a genuine part of the QCD Lagrangian) wherein the 3 radiating gluon lines end on as many quark lines, giving rise to a (Mercedes-Benz type) Y-shaped diagram. The dynamics is that of a Salpeter-like equation (3D support for the kernel) formulated covariantly on the light front, a la Markov-Yukawa Transversality Principle (MYTP) which warrants a 2-way interconnection between the 3D and 4D Bethe-Salpeter (BSE) forms for 2 as well as 3 fermion quarks. With these ingredients, the differential equation for the 3D wave function φ receives well-defined contributions from the qq and qqq forces. In particular a negative eigenvalue of the spin operator iσ 1 . σ 2 x σ 3 which is an integral part of the qqq force, causes a characteristic singularity in the differential equation, signalling the dynamical effect of a spin-rich qqq force not yet considered in the literature. The potentially crucial role of this interesting effect vis-a-vis the so-called 'spin anomaly' of the proton, is a subject of considerable physical interest
Talebi, Nahid
2017-10-01
Investigating the interaction of electron beams with materials and light has been a field of research for more than a century. The field was advanced theoretically by the rise of quantum mechanics and technically by the introduction of electron microscopes and accelerators. It is possible nowadays to uncover a multitude of information from electron-induced excitations in matter by means of advanced techniques like holography, tomography, and, most recently, photon-induced near-field electron microscopy. The question is whether the interaction can be controlled in an even, more efficient way in order to unravel important questions like modal decomposition of the electron-induced polarization by performing experiments with better spatial, temporal, and energy resolutions. This review discusses recent advances in controlling electron and light interactions at the nanoscale. Theoretical and numerical aspects of the interaction of electrons with nanostructures and metamaterials will be discussed with the aim of understanding the mechanisms of radiation in the interaction of electrons with even more sophisticated structures. Based on these mechanisms of radiation, state-of-the art and novel electron-driven few-photon sources will be discussed. Applications of such sources to gain an understanding of quantum optical effects and also to perform spectral interferometry with electron microscopes will be covered. In an inverse approach, as in the case of the inverse Smith-Purcell effect, laser-induced excitations of nanostructures can cause electron beams traveling in the near-field of such structures to accelerate, provided a synchronization criterion is satisfied. This effect is the basis for linear dielectric and metallic electron accelerators. Moreover, acceleration is accompanied by bunching of the electrons. When single electrons are considered, an efficient design of nanostructures can lead to the shaping of the electron wave function travelling adjacent to them, for
International Nuclear Information System (INIS)
Menouar, Salah; Maamache, Mustapha; Choi, Jeong Ryeol
2010-01-01
The quantum states of time-dependent coupled oscillator model for charged particles subjected to variable magnetic field are investigated using the invariant operator methods. To do this, we have taken advantage of an alternative method, so-called unitary transformation approach, available in the framework of quantum mechanics, as well as a generalized canonical transformation method in the classical regime. The transformed quantum Hamiltonian is obtained using suitable unitary operators and is represented in terms of two independent harmonic oscillators which have the same frequencies as that of the classically transformed one. Starting from the wave functions in the transformed system, we have derived the full wave functions in the original system with the help of the unitary operators. One can easily take a complete description of how the charged particle behaves under the given Hamiltonian by taking advantage of these analytical wave functions.
Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
Czech Academy of Sciences Publication Activity Database
Kuneš, Jan; Arita, R.; Wissgott, Ph.; Toschi, A.; Ikeda, H.; Held, K.
2010-01-01
Roč. 181, č. 11 (2010), s. 1888-1895 ISSN 0010-4655 Institutional research plan: CEZ:AV0Z10100521 Keywords : Wannier function * spin-orbit couping Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.300, year: 2010
Brashier, Bill; Salvi, Sundeep
2015-03-01
Measuring lung function is an important component in the decision making process for patients with obstructive airways disease (OAD). Not only does it help in arriving at a specific diagnosis, but it also helps in evaluating severity so that appropriate pharmacotherapy can be instituted, it helps determine prognosis and it helps evaluate response to therapy. Spirometry is currently the most commonly performed lung function test in clinical practice and is considered to be the gold standard diagnostic test for asthma and COPD. However, spirometry is not an easy test to perform because the forceful expiratory and inspiratory manoeuvres require good patient co-operation. Children aged <5 years, elderly people and those with physical and cognitive limitations cannot perform spirometry easily.
Lim, Hobin; Kim, YoungHee; Song, Teh-Ru Alex; Shen, Xuzhang
2018-03-01
Accurate determination of the seismometer orientation is a prerequisite for seismic studies including, but not limited to seismic anisotropy. While borehole seismometers on land produce seismic waveform data somewhat free of human-induced noise, they might have a drawback of an uncertain orientation. This study calculates a harmonic decomposition of teleseismic receiver functions from the P and PP phases and determines the orientation of a seismometer by minimizing a constant term in a harmonic expansion of tangential receiver functions in backazimuth near and at 0 s. This method normalizes the effect of seismic sources and determines the orientation of a seismometer without having to assume for an isotropic medium. Compared to the method of minimizing the amplitudes of a mean of the tangential receiver functions near and at 0 s, the method yields more accurate orientations in cases where the backazimuthal coverage of earthquake sources (even in the case of ocean bottom seismometers) is uneven and incomplete. We apply this method to data from the Korean seismic network (52 broad-band velocity seismometers, 30 of which are borehole sensors) to estimate the sensor orientation in the period of 2005-2016. We also track temporal changes in the sensor orientation through the change in the polarity and the amplitude of the tangential receiver function. Six borehole stations are confirmed to experience a significant orientation change (10°-180°) over the period of 10 yr. We demonstrate the usefulness of our method by estimating the orientation of ocean bottom sensors, which are known to have high noise level during the relatively short deployment period.
International Nuclear Information System (INIS)
Macia, R.; Correig, A.M.
1987-01-01
Seismic wave propagation is described by a second order differential equation for medium displacement. By Fourier transforming with respect to time and space, wave equation transforms into a system of first order linear differential equations for the Fourier transform of displacement and stress. This system of differential equations is solved by means of Matrix Propagator and applied to the propagation of body waves in stratified media. The matrix propagators corresponding to P-SV and SH waves in homogeneous medium are found as an intermediate step to obtain the spectral response of body waves propagating through a stratified medium with homogeneous layers. (author) 14 refs
Schwerdtfeger, Peter; Lein, Matthias; Krawczyk, Robert P.; Jacob, Christoph R.
2008-03-01
Quantum theoretical calculations are presented for CO attached to charged and neutral Au and Au2 with the aim to test the performance of currently applied density functional theory (DFT) by comparison with accurate wave-function based results. For this, we developed a compact sized correlation-consistent valence basis set which accompanies a small-core energy-consistent scalar relativistic pseudopotential for gold. The properties analyzed are geometries, dissociation energies, vibrational frequencies, ionization potentials, and electron affinities. The important role of the basis-set superposition error is addressed which can be substantial for the negatively charged systems. The dissociation energies decrease along the series Au+-CO, Au-CO, and Au--CO and as well as along the series Au2+-CO, Au2-CO, and Au2--CO. As one expects, a negative charge on gold weakens the carbon oxygen bond considerably, with a consequent redshift in the CO stretching frequency when moving from the positively charged to the neutral and the negatively charged gold atom or dimer. We find that the different density functional approximations applied are not able to correctly describe the rather weak interaction between CO and gold, thus questioning the application of DFT to CO adsorption on larger gold clusters or surfaces.
Energy Technology Data Exchange (ETDEWEB)
Tokam, A K; Tabod, C T; Nyblade, A A; Julia, J; Wiens, D A; Pasyanos, M E
2010-02-18
Cameroon using 1-D shear wave velocity models obtained from the joint inversion of Rayleigh wave group velocities and P-receiver functions for 32 broadband seismic stations. From the 1-D shear wave velocity models, we obtain new insights into the composition and structure of the crust and upper mantle across Cameroon. After briefly reviewing the geological framework of Cameroon, we describe the data and the joint inversion method, and then interpret variations in crustal structure found beneath Cameroon in terms of the tectonic history of the region.
Hayati, Yazdan; Eskandari-Ghadi, Morteza
2018-02-01
An asymmetric three-dimensional thermoelastodynamic wave propagation with scalar potential functions is presented for an isotropic half-space, in such a way that the wave may be originated from an arbitrary either traction or heat flux applied on a patch at the free surface of the half-space. The displacements, stresses and temperature are presented within the framework of Biot's coupled thermoelasticity formulations. By employing a complete representation for the displacement and temperature fields in terms of two scalar potential functions, the governing equations of coupled thermoelasticity are uncoupled into a sixth- and a second-order partial differential equation in cylindrical coordinate system. By virtue of Fourier expansion and Hankel integral transforms, the angular and radial variables are suppressed respectively, and a 6{th}- and a 2{nd}-order ordinary differential equation in terms of depth are received, which are solved readily, from which the displacement, stresses and temperature fields are derived in transformed space by satisfying both the regularity and boundary conditions. By applying the inverse Hankel integral transforms, the displacements and temperature are numerically evaluated to determine the solutions in the real space. The numerical evaluations are done for three specific cases of vertical and horizontal time-harmonic patch traction and a constant heat flux passing through a circular disc on the surface of the half-space. It has been previously proved that the potential functions used in this paper are applicable from elastostatics to thermoelastodynamics. Thus, the analytical solutions presented in this paper are verified by comparing the results of this study with two specific problems reported in the literature, which are an elastodynamic problem and an axisymmetric quasi-static thermoelastic problem. To show the accuracy of numerical results, the solution of this study is also compared with the solution for elastodynamics exists in
Richings, Gareth W; Habershon, Scott
2017-09-12
We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.
Approximating quantum many-body wave functions using artificial neural networks
Cai, Zi; Liu, Jinguo
2018-01-01
In this paper, we demonstrate the expressibility of artificial neural networks (ANNs) in quantum many-body physics by showing that a feed-forward neural network with a small number of hidden layers can be trained to approximate with high precision the ground states of some notable quantum many-body systems. We consider the one-dimensional free bosons and fermions, spinless fermions on a square lattice away from half-filling, as well as frustrated quantum magnetism with a rapidly oscillating ground-state characteristic function. In the latter case, an ANN with a standard architecture fails, while that with a slightly modified one successfully learns the frustration-induced complex sign rule in the ground state and approximates the ground states with high precisions. As an example of practical use of our method, we also perform the variational method to explore the ground state of an antiferromagnetic J1-J2 Heisenberg model.
Four loop wave function renormalization in the non-abelian Thirring model
International Nuclear Information System (INIS)
Ali, D.B.; Gracey, J.A.
2001-01-01
We compute the anomalous dimension of the fermion field with N f flavours in the fundamental representation of a general Lie colour group in the non-abelian Thirring model at four loops. The implications on the renormalization of the two point Green's function through the loss of multiplicative renormalizability of the model in dimensional regularization due to the appearance of evanescent four fermi operators are considered at length. We observe the appearance of one new colour group Casimir, d F abcd d F abcd , in the final four loop result and discuss its consequences for the relation of the Knizhnik-Zamolodchikov critical exponents in the Wess-Zumino-Witten-Novikov model to the non-abelian Thirring model. Renormalization scheme changes are also considered to ensure that the underlying Fierz symmetry broken by dimensional regularization is restored
Why does the sign problem occur in evaluating the overlap of HFB wave functions?
Mizusaki, Takahiro; Oi, Makito; Shimizu, Noritaka
2018-04-01
For the overlap matrix element between Hartree-Fock-Bogoliubov states, there are two analytically different formulae: one with the square root of the determinant (the Onishi formula) and the other with the Pfaffian (Robledo's Pfaffian formula). The former formula is two-valued as a complex function, hence it leaves the sign of the norm overlap undetermined (i.e., the so-called sign problem of the Onishi formula). On the other hand, the latter formula does not suffer from the sign problem. The derivations for these two formulae are so different that the reasons are obscured why the resultant formulae possess different analytical properties. In this paper, we discuss the reason why the difference occurs by means of the consistent framework, which is based on the linked cluster theorem and the product-sum identity for the Pfaffian. Through this discussion, we elucidate the source of the sign problem in the Onishi formula. We also point out that different summation methods of series expansions may result in analytically different formulae.
International Nuclear Information System (INIS)
Blinov, A.V.; Solov'ev, V.V.
1991-01-01
The contribution to the cross sections of the quasi-elastic charge-exchange reaction p+ 3 He→n p +(ppp) from the S and D components of the 3 He wave function is calculated at zero momentum transfer in the farmework of the impulse approximation taking into account the spin of the particles
International Nuclear Information System (INIS)
Castro, L. B.; Castro, A. S. de
2010-01-01
It is shown that the paper 'Wave functions for a Duffin-Kemmer-Petiau particle in a time-dependent potential' by Merad and Bensaid [J. Math. Phys. 48, 073515 (2007)] is not correct in using inadvertently a non-Hermitian Hamiltonian in a formalism that does require Hermitian Hamiltonians.
Uemura, Wataru
2011-01-01
In this paper, we introduce a new representation of many body electron wave function and a few calculation results of the ground state energies of many body systems using that representation, which is systematically better than the Hartree-Fock approximation.
Oberhofer, Harald; Blumberger, Jochen
2010-12-28
We present a plane wave basis set implementation for the calculation of electronic coupling matrix elements of electron transfer reactions within the framework of constrained density functional theory (CDFT). Following the work of Wu and Van Voorhis [J. Chem. Phys. 125, 164105 (2006)], the diabatic wavefunctions are approximated by the Kohn-Sham determinants obtained from CDFT calculations, and the coupling matrix element calculated by an efficient integration scheme. Our results for intermolecular electron transfer in small systems agree very well with high-level ab initio calculations based on generalized Mulliken-Hush theory, and with previous local basis set CDFT calculations. The effect of thermal fluctuations on the coupling matrix element is demonstrated for intramolecular electron transfer in the tetrathiafulvalene-diquinone (Q-TTF-Q(-)) anion. Sampling the electronic coupling along density functional based molecular dynamics trajectories, we find that thermal fluctuations, in particular the slow bending motion of the molecule, can lead to changes in the instantaneous electron transfer rate by more than an order of magnitude. The thermal average, ()(1/2)=6.7 mH, is significantly higher than the value obtained for the minimum energy structure, |H(ab)|=3.8 mH. While CDFT in combination with generalized gradient approximation (GGA) functionals describes the intermolecular electron transfer in the studied systems well, exact exchange is required for Q-TTF-Q(-) in order to obtain coupling matrix elements in agreement with experiment (3.9 mH). The implementation presented opens up the possibility to compute electronic coupling matrix elements for extended systems where donor, acceptor, and the environment are treated at the quantum mechanical (QM) level.
Coupling Functions between Brain Waves: Significance of Opened/Closed Eyes
Directory of Open Access Journals (Sweden)
Lal Hussain
2017-08-01
Full Text Available In dynamical systems, the information flows converge or diverges in state space and is integrated or communicated between different cells assemblies termed as CFC. This process allows different oscillatory systems to communicate in accurate time, control and distribute the information flows in cell assemblies. The CF interactions allow the oscillatory rhythms to communicate in accurate time, and reintegrate the separated information. The intrinsic brain dynamics in Electroencephalography (EEG with eye - closed (EC and eye open (EO during resting states have been investigated to see the changes in brain complexity i.e. simple visual processing which are associated with increase in global dimension complexity. In order to study these changes in EEG, we have computed the coupling to see the inhibitory interneurons response and inter-regions functional connectivity differences between the eye conditions. We have investigated the fluctuations in EEG activities in low (delta, theta and high (alpha frequency brain oscillations. Coupling strength was estimated using Dynamic Bayesian inference approach which can effectively detect the phase connectivity subject to the noise within a network of time varying coupled phase oscillators. Using this approach, we have seen that delta-alpha and theta-alpha CFC are more dominant in resting state EEG and applicable to multivariate network oscillator. It shows that alpha phase was dominated by low frequency oscillations i.e. delta and theta. These different CFC help us to investigate complex neuronal brain dynamics at large scale networks. We observed the local interactions at high frequencies and global interactions at low frequencies. The alpha oscillations are generated from both posterior and anterior origins whereas the delta oscillations found at posterior regions.
Bai, Y.; Ai, Y.; Jiang, M.; He, Y.; Chen, Q.
2017-12-01
The deep structure of the southeastern Tibetan plateau is of great scientific importance to a better understanding of the India-Eurasia collision as well as the evolution of the magnificent Tibetan plateau. In this study, we collected 566 permanent and temporary seismic stations deployed in SE Tibet, with a total of 77853 high quality P-wave receiver functions been extracted by maximum entropy deconvolution method. On the basis of the Common Conversion Point (CCP) stacking technique, we mapped the topography of the 410km and 660km discontinuities (hereinafter called the `410' and the `660'), and further investigated the lateral variation of the mantle transition zone (MTZ) thickness beneath this region. The background velocity model deduced from H-κ stacking results and a previous body-wave tomographic research was applied for the correction of the crustal and upper mantle heterogeneities beneath SE Tibet for CCP stacking. Our results reveal two significantly thickened MTZ anomalies aligned nearly in the south-north direction. The magnitude of both anomalies are 30km above the global average of 250km. The southern anomaly located beneath the Dianzhong sub-block and the Indo-China block is characterized by a slightly deeper `410' and a greater-than-normal `660', while the northern anomaly beneath western Sichuan has an uplifted `410' and a depressed `660'. Combining with previous studies in the adjacent region, we suggest that slab break-off may occurred during the eastward subduction of the Burma plate, with the lower part of the cold slab penetrated into the MTZ and stagnated at the bottom of the `660' which may cause the southern anomaly in our receiver function images. The origin of the Tengchong volcano is probably connected to the upwelling of the asthenospheric material caused by the slab break-off or to the ascending of the hot and wet material triggered by the dehydration of stagnant slab in the MTZ. The anomaly in the north, on the other hand, might be
Robust Wave Resource Estimation
DEFF Research Database (Denmark)
Lavelle, John; Kofoed, Jens Peter
2013-01-01
An assessment of the wave energy resource at the location of the Danish Wave Energy test Centre (DanWEC) is presented in this paper. The Wave Energy Converter (WEC) test centre is located at Hanstholm in the of North West Denmark. Information about the long term wave statistics of the resource...... is necessary for WEC developers, both to optimise the WEC for the site, and to estimate its average yearly power production using a power matrix. The wave height and wave period sea states parameters are commonly characterized with a bivariate histogram. This paper presents bivariate histograms and kernel....... An overview is given of the methods used to do this, and a method for identifying outliers of the wave elevation data, based on the joint distribution of wave elevations and accelerations, is presented. The limitations of using a JONSWAP spectrum to model the measured wave spectra as a function of Hm0 and T0...
Aryan, H.; Sibeck, D. G.; Balikhin, M. A.; Agapitov, O. V.; Kletzing, C.
2015-12-01
The dynamics of the radiation belts is dependent upon the acceleration and loss of radiation belt electrons that is largely determined by the interaction of georesonant wave particles with chorus and plasmaspheric hiss waves. The distribution of these waves in the inner magnetosphere is commonly presented as a function of geomagnetic activity as expressed by the geomagnetic indices (Ae, Kp, and Dst). However, it has been shown that not all geomagnetic storms necessarily increase the flux of energetic electrons at the radiation belts. In fact, almost 20% of all geomagnetic storms cause a decrease in the flux of energetic electrons, while 30% has relatively no effect. Also, the geomagnetic indices are indirect, nonspecific parameters compiled from imperfectly covered ground based measurements that lack time history. This emphasises the need to present wave distributions as a function of both geomagnetic activity and solar wind parameters, such as velocity (V), density (n), and interplanetary magnetic field component (Bz), that are known to be predominantly effective in the control of radiation belt energetic electron fluxes. This study presents the distribution of chorus and plasmaspheric hiss waves in the inner magnetosphere as functions of both geomagnetic activity and solar wind parameters for different L-shell, magnetic local time, and magnetic latitude. This study uses almost three years of data measured by the EMFISIS on board the Van Allen Probes. Initial results indicate that the intensity of chorus and plasmaspheric hiss emissions are not only dependent on the geomagnetic activity but also dependent on solar wind parameters. The largest average wave intensities are observed with equatorial chorus in the region 4
Allam, A. A.; Schulte-Pelkum, V.; Ben-Zion, Y.; Tape, C.; Ruppert, N.; Ross, Z. E.
2017-11-01
We examine the structure of the Denali fault system in the crust and upper mantle using double-difference tomography, P-wave receiver functions, and analysis (spatial distribution and moveout) of fault zone head waves. The three methods have complementary sensitivity; tomography is sensitive to 3D seismic velocity structure but smooths sharp boundaries, receiver functions are sensitive to (quasi) horizontal interfaces, and fault zone head waves are sensitive to (quasi) vertical interfaces. The results indicate that the Mohorovičić discontinuity is vertically offset by 10 to 15 km along the central 600 km of the Denali fault in the imaged region, with the northern side having shallower Moho depths around 30 km. An automated phase picker algorithm is used to identify 1400 events that generate fault zone head waves only at near-fault stations. At shorter hypocentral distances head waves are observed at stations on the northern side of the fault, while longer propagation distances and deeper events produce head waves on the southern side. These results suggest a reversal of the velocity contrast polarity with depth, which we confirm by computing average 1D velocity models separately north and south of the fault. Using teleseismic events with M ≥ 5.1, we obtain 31,400 P receiver functions and apply common-conversion-point stacking. The results are migrated to depth using the derived 3D tomography model. The imaged interfaces agree with the tomography model, showing a Moho offset along the central Denali fault and also the sub-parallel Hines Creek fault, a suture zone boundary 30 km to the north. To the east, this offset follows the Totschunda fault, which ruptured during the M7.9 2002 earthquake, rather than the Denali fault itself. The combined results suggest that the Denali fault zone separates two distinct crustal blocks, and that the Totschunda and Hines Creeks segments are important components of the fault and Cretaceous-aged suture zone structure.
Directory of Open Access Journals (Sweden)
M. V. Tchernycheva
2017-01-01
Full Text Available Subject of Research. The paper deals with development outcomes for creation method of one-electron wave functions of complex atoms, relatively simple, symmetrical for all atom electrons and free from hard computations. The accuracy and resource intensity of the approach are focused on systematic calculations of cross sections and rate constants of elementary processes of inelastic collisions of atoms or molecules with electrons (ionization, excitation, excitation transfer, and others. Method. The method is based on a set of two iterative processes. At the first iteration step the Schrödinger equation was solved numerically for the radial parts of the electron wave functions in the potential of the atomic core self-consistent field. At the second iteration step the new approximationfor the atomic core field is created that uses found solutions for all one-electron wave functions. The solution optimization for described multiparameter problem is achieved by the use of genetic algorithm. The suitability of the developed method was verified by comparing the calculation results with numerous data on the energies of atoms in the ground and excited states. Main Results. We have created the run-time version of the program for creation of sets of one-electron wave functions and calculation of the cross sections and constants of collisional transition rates in the first Born approximation. The priori available information about binding energies of the electrons for any many-particle system for creation of semi-empirical refined solutions for the one-electron wave functions can be considered at any step of this procedure. Practical Relevance. The proposed solution enables a simple and rapid preparation of input data for the numerical simulation of nonlocal gas discharge plasma. The approach is focused on the calculation of discharges in complex gas mixtures requiring inclusion in the model of a large number of elementary collisional and radiation
McCall, Damian O; McGartland, Claire P; Woodside, Jayne V; Sharpe, Peter; McCance, David R; Young, Ian S
2010-01-01
Carotid-radial pulse wave velocity (CRPWV) can be measured rapidly using applanation tonometry and significantly higher values have been reported among patients with risk factors for vascular disease. Forearm blood flow responses to intrabrachial infusion of acetylcholine independently predict cardiovascular morbidity among hypertensive patients. We aimed to examine the relationship between CRPWV, a potentially informative, noninvasive measure and this more established parameter of arterial health. One hundred and fifteen mildly hypertensive individuals (67% men, mean (± SD) age 54 ± 8 years, mean (± SD) blood pressure (BP) 143 ± 16/83 ± 12 mmHg) were recruited from a weekly medical outpatient clinic. Each volunteer had CRPWV measured using sequential tonometry before forearm blood flow responses to intra-arterial, endothelium-dependent (acetylcholine) and independent (sodium nitroprusside) vasodilators were assessed. There was a significant negative correlation between CRPWV and maximum forearm blood flow response to acetylcholine (r = -0.225, p = 0.016). This association remained significant in a multiple regression analysis (β = -0.213, p = 0.034). Mean arterial pressure and weight were additional independent predictors of CRPWV in this model. There was no such relationship between CRPWV and response to sodium nitroprusside (r = 0.088, p = 0.349). In patients with mild hypertension, a poor forearm blood flow response to acetylcholine independently predicted faster CRPWV, thus linking an established measure of microvascular endothelial function with a noninvasive index of conduit vessel stiffness.
International Nuclear Information System (INIS)
Miller, G.A.
1984-01-01
In the Cloudy Bag Model hadrons are treated as quarks confined in an M.I.T. bag that is surrounded by a cloud of pions. Computations of the charge and magnetism distributions of nucleons and baryons, pion-nucleon scattering, and the strong and electromagnetic decays of mesons are discussed. Agreement with experimental results is excellent if the nucleon bag radius is in the range between 0.8 and 1.1 fm. Underlying qualitative reasons which cause the pionic corrections to be of the obtained sizes are analyzed. If bags are of such reasonably large sizes, nucleon bags in nuclei will often come into contact. As a result one needs to consider whether explicit quark degrees of freedom are relevant for Nuclear Physics. To study such possibilities a model which treats a nucleus as a collection of baryons, pions and six-quark bags is discussed. In particular, the short distance part of a nucleon-nucleon wave function is treated as six quarks confined in a bag. This approach is used to study the proton-proton weak interaction, the asymptotic D to S state ratio of the deuteron, the pp → dπ reaction, the charge density of /sup 3/He, magnetic moments of /sup 3/He and /sup 3/H and, the /sup 3/He-/sup 3/H binding energy difference. It is found that quark effects are very relevant for understanding nuclear properties
Energy Technology Data Exchange (ETDEWEB)
Loth, S.
2007-10-26
This thesis reports measurements of single dopant atoms in III-V semiconductors with low temperature Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS). It investigates the anisotropic spatial distribution of acceptor induced tunneling processes at the {l_brace}110{r_brace} cleavage planes. Two different tunneling processes are identified: conventional imaging of the squared acceptor wave function and resonant tunneling at the charged acceptor. A thorough analysis of the tip induced space charge layers identifies characteristic bias windows for each tunnel process. The symmetry of the host crystal's band structure determines the spatial distribution of the tunneling paths for both processes. Symmetry reducing effects at the surface are responsible for a pronounced asymmetry of the acceptor contrasts along the principal [001] axis. Uniaxial strain fields due to surface relaxation and spin orbit interaction of the tip induced electric field are discussed on the basis of band structure calculations. High-resolution STS studies of acceptor atoms in an operating p-i-n diode confirm that an electric field indeed changes the acceptor contrasts. In conclusion, the anisotropic contrasts of acceptors are created by the host crystal's band structure and concomitant symmetry reduction effects at the surface. (orig.)
Directory of Open Access Journals (Sweden)
Sabiha Abekhoukh
2017-04-01
Full Text Available Cytoplasmic FMRP interacting protein 1 (CYFIP1 is a candidate gene for intellectual disability (ID, autism, schizophrenia and epilepsy. It is a member of a family of proteins that is highly conserved during evolution, sharing high homology with its Drosophila homolog, dCYFIP. CYFIP1 interacts with the Fragile X mental retardation protein (FMRP, encoded by the FMR1 gene, whose absence causes Fragile X syndrome, and with the translation initiation factor eIF4E. It is a member of the WAVE regulatory complex (WRC, thus representing a link between translational regulation and the actin cytoskeleton. Here, we present data showing a correlation between mRNA levels of CYFIP1 and other members of the WRC. This suggests a tight regulation of the levels of the WRC members, not only by post-translational mechanisms, as previously hypothesized. Moreover, we studied the impact of loss of function of both CYFIP1 and FMRP on neuronal growth and differentiation in two animal models – fly and mouse. We show that these two proteins antagonize each other's function not only during neuromuscular junction growth in the fly but also during new neuronal differentiation in the olfactory bulb of adult mice. Mechanistically, FMRP and CYFIP1 modulate mTor signaling in an antagonistic manner, likely via independent pathways, supporting the results obtained in mouse as well as in fly at the morphological level. Collectively, our results illustrate a new model to explain the cellular roles of FMRP and CYFIP1 and the molecular significance of their interaction.
Miller, M. S.; Becker, T. W.; Allam, A. A.; Alpert, L. A.; Di Leo, J. F.; Wookey, J. M.
2013-12-01
The complex tectonic history and orogenesis in the westernmost Mediterranean are primarily due to Cenozoic convergence of Africa with Eurasia. The Gibraltar system, which includes the Rif Mountains of Morocco and the Betics in Spain, forms a tight arc around the Alboran Basin. Further to the south the Atlas Mountains of Morocco, an example of an intracontinental fold and thrust belt, display only modest tectonic shortening, yet have unusually high topography. To the south of the Atlas, the anti-Atlas is the oldest mountain range in the region, has the lowest relief, and extends toward the northern extent of the West African Craton. To help unravel the regional tectonics, we use new broadband seismic data from 105 stations across the Gibraltar arc into southern Morocco. We use shear wave splitting analysis for a deep (617 km) local S event and over 230 SKS events to infer azimuthal seismic anisotropy and we image the lithospheric structure with receiver functions. One of the most striking discoveries from these methods is evidence for localized, near vertical-offset deformation of both crust-mantle and lithosphere-asthenosphere interfaces at the flanks of the High Atlas. These offsets coincide with the locations of Jurassic-aged normal faults that were reactivated during the Cenozoic. This suggests that these lithospheric-scale discontinuities were involved in the formation of the Atlas and are still active. Shear wave splitting results show that the inferred stretching axes are aligned with the highest topography in the Atlas, suggesting asthenospheric shearing in mantle flow guided by lithospheric topography. Geodynamic modeling shows that the inferred seismic anisotropy may be produced by the interaction of mantle flow with the subducted slab beneath the Alboran, the West African Craton, and the thinned lithosphere beneath the Atlas. Isostatic modeling based on these lithospheric structure estimates indicates that lithospheric thinning alone does not explain the
Wang, Bin; Qian, Zhenghua; Li, Nian; Sarraf, Hamid
2016-01-01
We propose the use of thickness-twist (TT) wave modes of an AT-cut quartz crystal plate resonator for measurement of material parameters, such as stiffness, density and material gradient, of a functionally graded material (FGM) layer on its surface, whose material property varies exponentially in thickness direction. A theoretical analysis of dispersion relations for TT waves is presented using Mindlin's plate theory, with displacement mode shapes plotted, and the existence of face-shear (FS) wave modes discussed. Through numerical examples, the effects of material parameters (stiffness, density and material gradient) on dispersion curves, cutoff frequencies and mode shapes are thoroughly examined, which can act as a theoretical reference for measurements of unknown properties of FGM layer. Copyright © 2015 Elsevier B.V. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Ibral, Asmaa [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Zouitine, Asmae [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); Assaid, El Mahdi, E-mail: eassaid@yahoo.fr [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida 24000 (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Université Chouaïb Doukkali, B.P. 20 El Jadida Principale, El Jadida (Morocco); Feddi, El Mustapha [Département de Physique, Ecole Nationale Supérieure d’Enseignement Technique, Université Mohammed V Souissi, B.P. 6207 Rabat-Instituts, Rabat (Morocco); and others
2014-09-15
Ground state energy and wave function of a hydrogen-like off-centre donor impurity, confined anywhere in a ZnS/CdSe spherical core/shell nanostructure are determined in the framework of the envelope function approximation. Conduction band-edge alignment between core and shell of nanostructure is described by a finite height barrier. Dielectric constant mismatch at the surface where core and shell materials meet is taken into account. Electron effective mass mismatch at the inner surface between core and shell is considered. A trial wave function where coulomb attraction between electron and off-centre ionized donor is used to calculate ground state energy via the Ritz variational principle. The numerical approach developed enables access to the dependence of binding energy, coulomb correlation parameter, spatial extension and radial probability density with respect to core radius, shell radius and impurity position inside ZnS/CdSe core/shell nanostructure.
Coronal Waves and Oscillations
Directory of Open Access Journals (Sweden)
Nakariakov Valery M.
2005-07-01
Full Text Available Wave and oscillatory activity of the solar corona is confidently observed with modern imaging and spectral instruments in the visible light, EUV, X-ray and radio bands, and interpreted in terms of magnetohydrodynamic (MHD wave theory. The review reflects the current trends in the observational study of coronal waves and oscillations (standing kink, sausage and longitudinal modes, propagating slow waves and fast wave trains, the search for torsional waves, theoretical modelling of interaction of MHD waves with plasma structures, and implementation of the theoretical results for the mode identification. Also the use of MHD waves for remote diagnostics of coronal plasma - MHD coronal seismology - is discussed and the applicability of this method for the estimation of coronal magnetic field, transport coefficients, fine structuring and heating function is demonstrated.
Sebastian, Nita; Kim, Seongryong; Tkalčić, Hrvoje; Sippl, Christian
2017-04-01
The purpose of this study is to develop an integrated inference on the lithospheric structure of NE China using three passive seismic networks comprised of 92 stations. The NE China plain consists of complex lithospheric domains characterised by the co-existence of complex geodynamic processes such as crustal thinning, active intraplate cenozoic volcanism and low velocity anomalies. To estimate lithospheric structures with greater detail, we chose to perform the joint inversion of independent data sets such as receiver functions and surface wave dispersion curves (group and phase velocity). We perform a joint inversion based on principles of Bayesian transdimensional optimisation techniques (Kim etal., 2016). Unlike in the previous studies of NE China, the complexity of the model is determined from the data in the first stage of the inversion, and the data uncertainty is computed based on Bayesian statistics in the second stage of the inversion. The computed crustal properties are retrieved from an ensemble of probable models. We obtain major structural inferences with well constrained absolute velocity estimates, which are vital for inferring properties of the lithosphere and bulk crustal Vp/Vs ratio. The Vp/Vs estimate obtained from joint inversions confirms the high Vp/Vs ratio ( 1.98) obtained using the H-Kappa method beneath some stations. Moreover, we could confirm the existence of a lower crustal velocity beneath several stations (eg: station SHS) within the NE China plain. Based on these findings we attempt to identify a plausible origin for structural complexity. We compile a high-resolution 3D image of the lithospheric architecture of the NE China plain.
Energy Technology Data Exchange (ETDEWEB)
Nakra Mohajer, Soukaina; El Harouny, El Hassan [Laboratoire de Physique de la Matière Condensée, Département de Physique, Faculté des Sciences, Université Abdelmalek Essaadi, B.P. 2121 M’Hannech II, 93030 Tétouan (Morocco); Ibral, Asmaa [Equipe d’Optique et Electronique du Solide, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B. P. 20 El Jadida Principale, El Jadida (Morocco); Laboratoire d’Instrumentation, Mesure et Contrôle, Département de Physique, Faculté des Sciences, Université Chouaïb Doukkali, B. P. 20 El Jadida Principale, El Jadida (Morocco); El Khamkhami, Jamal [Laboratoire de Physique de la Matière Condensée, Département de Physique, Faculté des Sciences, Université Abdelmalek Essaadi, B.P. 2121 M’Hannech II, 93030 Tétouan (Morocco); and others
2016-09-15
Eigenvalues equation solutions of a hydrogen-like donor impurity, confined in a hemispherical quantum dot deposited on a wetting layer and capped by an insulating matrix, are determined in the framework of the effective mass approximation. Conduction band alignments at interfaces between quantum dot and surrounding materials are described by infinite height barriers. Ground and excited states energies and wave functions are determined analytically and via one-dimensional finite difference approach in case of an on-center donor. Donor impurity is then moved from center to pole of hemispherical quantum dot and eigenvalues equation is solved via Ritz variational principle, using a trial wave function where Coulomb attraction between electron and ionized donor is taken into account, and by two-dimensional finite difference approach. Numerical codes developed enable access to variations of donor total energy, binding energy, Coulomb correlation parameter, spatial extension and radial probability density with respect to hemisphere radius and impurity position inside the quantum dot.
International Nuclear Information System (INIS)
Nakra Mohajer, Soukaina; El Harouny, El Hassan; Ibral, Asmaa; El Khamkhami, Jamal
2016-01-01
Eigenvalues equation solutions of a hydrogen-like donor impurity, confined in a hemispherical quantum dot deposited on a wetting layer and capped by an insulating matrix, are determined in the framework of the effective mass approximation. Conduction band alignments at interfaces between quantum dot and surrounding materials are described by infinite height barriers. Ground and excited states energies and wave functions are determined analytically and via one-dimensional finite difference approach in case of an on-center donor. Donor impurity is then moved from center to pole of hemispherical quantum dot and eigenvalues equation is solved via Ritz variational principle, using a trial wave function where Coulomb attraction between electron and ionized donor is taken into account, and by two-dimensional finite difference approach. Numerical codes developed enable access to variations of donor total energy, binding energy, Coulomb correlation parameter, spatial extension and radial probability density with respect to hemisphere radius and impurity position inside the quantum dot.
International Nuclear Information System (INIS)
Bhatnagar, S.; Mahecha, J.
2008-09-01
We have employed the framework of Bethe-Salpeter equation under Covariant Instantaneous Ansatz to calculate the leptonic decay constants of unequal mass pseudoscalar mesons. In the Dirac structure of BS wave function, the covariants are incorporated from their complete set in accordance with a recently proposed power counting rule, order-by-order in powers of inverse of meson mass. The decay constants are calculated incorporating both Leading Order (LO) as well as Next-to-leading Order (NLO) Dirac covariants. The contribution of both LO as well as NLO covariants to decay constants are studied in detail in this paper. The results are found to improve dramatically, and hence validating the power counting rule which also provides a practical means of incorporating Dirac covariants in the BS wave function of a hadron. (author)
Hutter, Jürg
2003-03-01
An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.
International Nuclear Information System (INIS)
Gocheva, A.D.; Puzynin, I.V.
1987-01-01
The description of BSMADM program package for numerical solution of a particular Sturm-Liouville problem is presented. This problem arises in the calculation of energy levels and wave functions of bound states of three particles with Coulomb interaction in adiabatic representation. The program package was used for calculating characteristics of weakly bound states of mesic molecules ddμ and dtμ which are of main interest for muon-catalysed fusion
International Nuclear Information System (INIS)
Abrashkevich, A.G.; Abrashkevich, D.G.; Vinitskij, S.I.; Puzynin, I.V.
1989-01-01
Description of package BCATOM for calculating the energy levels and wave functions of helium-like systems in the hyperspherical adiabatic approach taking into account the isotopic effects is given. The corresponding Sturm-Liouville problems are approximated by the difference method and the high order accuracy finite element method. The obtained generalized algebraic eigenvalue problems are solved by subspace iteration method. Possibilities of the package are demonstrated by calculating the ground state characteristics of a negative hydrogen ion. 33 refs.; 1 fig
Czech Academy of Sciences Publication Activity Database
Tichý, V.; Kuběna, Aleš Antonín; Skála, L.
2012-01-01
Roč. 90, č. 6 (2012), s. 503-513 ISSN 0008-4204 Institutional support: RVO:67985556 Keywords : Schroninger equation * partial differential equation * analytic solution * anharmonic oscilator * double-well Subject RIV: BE - Theoretical Physics Impact factor: 0.902, year: 2012 http://library.utia.cas.cz/separaty/2012/E/kubena-analytic energies and wave functions of the two-dimensional schrodinger equation.pdf
Margerin, Ludovic
2017-11-01
In this work, I propose to model the propagation of high-frequency seismic waves in the heterogeneous Earth by means of a coupled system of radiative transfer equations for P and S waves. The model describes the propagation of both coherent and diffuse waves in a statistically isotropic heterogeneous medium and takes into account key phenomena such as scattering conversions between propagation modes, scattering anisotropy and absorption. The main limitation of the approach lies in the neglect of the shear wave polarization information. The canonical case of a medium with uniform scattering and absorption properties is studied in details. Using an adjoint formalism, Green's functions (isotropic point source solutions) of the transport equation are shown to obey a reciprocity relation relating the P energy density radiated by an S source to the S energy density radiated by a P source. A spectral method of calculation of the Green's function is presented. Application of Fourier, Hankel and Legendre transforms to time, space and angular variables, respectively, turns the equation of transport into a numerically tractable penta-diagonal linear system of equations. The implementation of the spectral method is discussed in details and validated through one-to-one comparisons with Monte Carlo simulations. Numerical experiments in different propagation regimes illustrate that the ratio between the correlation length of heterogeneities and the incident wavelength plays a key role in the rate of stabilization of the P-to- S energy ratio in the coda. The results suggest that the rapid stabilization of energy ratios observed in the seismic coda is a signature of the broadband nature of crustal heterogeneities. The impact of the texture of the medium on both pulse broadening and generation of converted S wave arrivals by explosion sources is illustrated. The numerical study indicates that smooth media enhance the visibility of ballistic-like S arrivals from P sources.
King, Andrew W; Baskerville, Adam L; Cox, Hazel
2018-03-13
An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).
Chen, Zhenhua; Chen, Xun; Wu, Wei
2013-04-01
In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.
Goussev, Arseni; Dorfman, J R
2006-07-01
We consider the time evolution of a wave packet representing a quantum particle moving in a geometrically open billiard that consists of a number of fixed hard-disk or hard-sphere scatterers. Using the technique of multiple collision expansions we provide a first-principle analytical calculation of the time-dependent autocorrelation function for the wave packet in the high-energy diffraction regime, in which the particle's de Broglie wavelength, while being small compared to the size of the scatterers, is large enough to prevent the formation of geometric shadow over distances of the order of the particle's free flight path. The hard-disk or hard-sphere scattering system must be sufficiently dilute in order for this high-energy diffraction regime to be achievable. Apart from the overall exponential decay, the autocorrelation function exhibits a generally complicated sequence of relatively strong peaks corresponding to partial revivals of the wave packet. Both the exponential decay (or escape) rate and the revival peak structure are predominantly determined by the underlying classical dynamics. A relation between the escape rate, and the Lyapunov exponents and Kolmogorov-Sinai entropy of the counterpart classical system, previously known for hard-disk billiards, is strengthened by generalization to three spatial dimensions. The results of the quantum mechanical calculation of the time-dependent autocorrelation function agree with predictions of the semiclassical periodic orbit theory.
International Nuclear Information System (INIS)
Shima, Y.; Baer, M.; Kouri, D.J.
1986-01-01
Recently a method for solving the Baer-Kouri-Levin-Tobocman integral equations was presented and applied to several collinear reactive systems. The method is based on using a distortion potential in the unperturbed Hamiltonian so that the translational part of the Green's function involves distorted elastic wave functions. In this work we report on a solution of these equations without a distortion potential so that the Green's function involves free (asymptotic) translational wave functions. The advantages of using these functions is that a certain amount of computer work is saved because some of the integrations can be carried out analytically. A disadvantage is that the rate of convergence with respect to both vibrational and translational basis functions is slower than when the smooth distortion potential is employed. Two diagnostics of the accuracy of the results are found to be the size of the determinant of coefficients of the simultaneous algebraic equations and symmetry of the R matrix. In addition, it is found that if a distortion potential is used, one should choose it so that the resulting perturbation is made small and of least extent possible. This accelerates convergence of the solution with respect to basis size
International Nuclear Information System (INIS)
Montenegro, E.; Pinho, A.G. de; Baptista, G.B.
1981-01-01
An exact analytical expression for the energy differential K-shell ionisation cross section is obtained in the framework of the plane-wave Born approximation (PWBA). The excitation function I(eta, theta) is expressed in terms of elementary analytical functions plus a rapidly convergent power-series expansion. With a few terms of the power series the values obtained by numerical integration are reproduced within the precision inherent in the available tables. Starting from the same general formulation an exact algebraic equation for the 1s-n excitation for atomic hydrogen is also obtained. (author)
Energy Technology Data Exchange (ETDEWEB)
Tong, Shi-Yuan [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China); Material and Chemical Research Laboratories, Industrial Technology Research Institute, Taiwan (China); Wu, Jenn-Ming, E-mail: wu408410@yahoo.com.tw [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China); Huang, Yu-Ting; Tung, Mean-Jue; Ko, Wen-Song; Wang, Li-Chun [Material and Chemical Research Laboratories, Industrial Technology Research Institute, Taiwan (China); Yang, Min-Da [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China); Material and Chemical Research Laboratories, Industrial Technology Research Institute, Taiwan (China)
2011-02-03
Research highlights: > Effective permeability simulated by numerical finite elemental analysis. > Macroscopic effective permeability presenting a weak dependence on initial permeability of ferrite. > Modulated radio-wave reflection loss for a flexible absorptive structure is -48 dB at 4.6 GHz. - Abstract: This investigation aims to present a structural design of a radio-wave absorber incorporating NiCuZn ferrite granules in a contiguous polyepoxide matrix. Electromagnetic properties of the composites in radio-wave frequency were characterized by a combined transmission/reflection method in a coaxial airline fixture. The response of the composites to radio-wave field was attributed to macroscopic magnetic loss and dielectric loss relating to domain wall resonance, spin relaxation, and dipole polarization. Return losses were evaluated using equations representing a structure with a single-layer absorber terminated by a layer of perfect conductor. The maximum return loss was -48 dB occurring at 4.6 GHz for 8 mm thick samples with a ferrite/polyepoxide (F/P) volume ratio = 0.55. The variations of return losses with absorber thickness and absorption bandwidth were also investigated. The macroscopic effective permeability of the composites was computed by a numerical finite elemental analysis (FEA) using a periodic elliptical structure. The FEA calculations are more accurate than values predicted by empirical mixture rules assuming uniform distribution, especially at higher ferrite fractions (F/P {>=} 0.73).
Agrawal, D.; Moore, R. C.
2012-12-01
Dual-beam ELF wave generation experiments performed at the High-frequency Active Auroral Research Program (HAARP) HF transmitter are used to investigate the dependence of the generated ELF wave magnitude on HF power, HF frequency, modulation waveform, and receiver location. During the experiments, two HF beams transmit simultaneously: one amplitude modulated (AM) HF beam modulates the conductivity of the lower ionosphere at ELF frequencies while a second HF beam broadcasts a continuous waveform (CW) signal, modifying the efficiency of ELF conductivity modulation and thereby the efficiency of ELF wave generation. We report experimental results for different ambient ionospheric conditions, and we interpret the observations in the context of a newly developed dual-beam HF heating model. A comparison between model predictions and experimental observations indicates that the theoretical model includes the essential physics involved in multifrequency HF heating of the lower ionosphere. In addition to the HF transmission parameters mentioned above, the model is used to predict the dependence of ELF wave magnitude on the polarization of the CW beam and on the modulation frequency of the modulated beam. We consider how these effects vary with ambientD-region electron density and electron temperature.
DEFF Research Database (Denmark)
Ljungberg, M.P.; Mortensen, Jens Jørgen; Pettersson, L.G.M.
2011-01-01
We describe the implementation of K-shell core level spectroscopies (X-ray absorption (XAS), X-ray emission (XES), and X-ray photoemission (XPS)) in the real-space-grid-based Projector Augmented Wave (PAW) GPAW code. The implementation for XAS is based on the Haydock recursion method avoiding...
Directory of Open Access Journals (Sweden)
Wang L
2016-10-01
Full Text Available Wang L, Jiang Y, Jiang Z, Han L. Effect of low-energy extracorporeal shock wave on vascular regeneration after spinal cord injury and the recovery of motor function. Neuropsychiatr Dis Treat. 2016 Aug 31;12:2189–2198. doi: 10.2147/NDT.S82864.This article was found to have plagiarized the content of:Low-energy extracorporeal shock wave therapy promotes vascular endothelial growth factor expression and improves locomotor recovery after spinal injury published in the Journal of Neurosurgery in 2014 (J Neurosurg. 121: 1514–1525, 2014.Accordingly, Dr Pinder, Editor-in-Chief of Neuropsychiatric Disease and Treatment has decided to issue a Retraction notice and advise the academic supervisors of Dr Wang et al of this matter. This Retraction relates to
Wave directional spectrum from array measurements
Digital Repository Service at National Institute of Oceanography (India)
Fernandes, A.A.; Sarma, Y.V.B.; Menon, H.B.
Using the method of Esteva (1976, 1977), whcih assumes that at the frequency band the waves approach from just a single "mean" wave direction, wave direction has been consistently, accurately and unambiguously evaluated as a function of frequency...
Directory of Open Access Journals (Sweden)
Simeng Zhu
2014-12-01
Full Text Available Athletic training can result in increased left ventricular (LV wall thickness, termed physiologic hypertrophy (PhH. By contrast, pathologic hypertrophy (PaH can be due to hypertension, aortic stenosis, or genetic mutation causing hypertrophic cardiomyopathy (HCM. Because morphologic (LV dimension, wall thickness, mass, etc. and functional index similarities (LV ejection fraction, cardiac output, peak filling rate, etc. limit diagnostic specificity, ability to differentiate between PhH and PaH is important. Conventional echocardiographic diastolic function (DF indexes have limited ability to differentiate between PhH and PaH and cannot provide information on chamber property (stiffness and relaxation. We hypothesized that kinematic model-based DF assessment can differentiate between PhH and PaH and, by providing chamber properties, has even greater value compared with conventional metrics. For validation, we assessed DF in the following three age-matched groups: pathologic (HCM hypertrophy (PaH, n = 14, PhH (Olympic rowers, PhH, n = 21, and controls (n = 21. Magnetic resonance imaging confirmed presence of both types of hypertrophy and determined LV mass and chamber size. Model-based indexes, chamber stiffness (k, relaxation/viscoelasticity (c, and load (xo and conventional indexes, Epeak (peak of E-wave, ratio of Epeak to Apeak (E/A, E-wave acceleration time (AT, and E-wave deceleration time (DT were computed. We analyzed 1588 E waves distributed as follows: 328 (PaH, 672 (athletes, and 588 (controls. Among conventional indexes, Epeak and E-wave DT were similar between PaH and PhH, whereas E/A and E-wave AT were lower in PaH. Model-based analysis showed that PaH had significantly higher relaxation/viscoelasticity (c and chamber stiffness (k than PhH. The physiologic equation of motion for filling-based derivation of the model provides a mechanistic understanding of the differences between PhH and PaH.
Lu, Zengbing; Yeung, Chi-Kong; Lin, Ge; Yew, David T W; Andrews, P L R; Rudd, John A
2017-10-01
Glucagon-like peptide-1 (GLP-1) receptor agonists are indicated for the treatment of Type 2 diabetes and obesity, but can cause nausea and emesis in some patients. GLP-1 receptors are distributed widely in the brain, where they contribute to mechanisms of emesis, reduced appetite and aversion, but it is not known if these centrally located receptors also contribute to a modulation of gastric slow wave activity, which is linked causally to nausea. Our aim was to investigate the potential of the GLP-1 receptor agonist, exendin-4, administered into the 3rd ventricle to modulate emesis, feeding and gastric slow wave activity. Thermoregulation and cardiovascular parameters were also monitored, as they are disturbed during nausea. Ferrets were used as common laboratory rodents do not have an emetic reflex. A guide cannula was implanted into the 3rd ventricle for delivering a previously established dose of exendin-4 (10nmol), which had been shown to induce emesis and behaviours indicative of 'nausea'. Radiotelemetry recorded gastric myoelectric activity (GMA; slow waves), blood pressure and heart rate variability (HRV), and core temperature; food intake and behaviour were also assessed. Exendin-4 (10nmol, i.c.v.) decreased the dominant frequency of GMA, with an associated increase in the percentage of bradygastric power (lasting ~4h). Food intake was inhibited in all animals, with 63% exhibiting emesis. Exendin-4 also increased blood pressure (lasting ~24h) and heart rate (lasting ~7h), decreased HRV (lasting ~24h), and caused transient hyperthermia. None of the above parameters were emesis-dependent. The present study shows for the first time that gastric slow waves may be modulated by GLP-1 receptors in the brain through mechanisms that appear independent from emesis. Taken together with a reduction in HRV, the findings are consistent with changes associated with the occurrence of nausea in humans. Copyright © 2017 Elsevier Ltd. All rights reserved.
Godin, Oleg A.
2015-04-01
Much like light and sound, acoustic-gravity waves in inhomogeneous atmosphere often have a caustic or caustics, where the ray theory predicts unphysical, divergent values of the wave amplitude and needs to be modified. Increase of the wave magnitude in the vicinity of a caustic makes such vicinities of primary interest in a number of problems, where a signal needs to be separated from a background noise. The value of wave focusing near caustics should be carefully quantified in order to evaluate possible nonlinearities promoted by the focusing. Physical understanding of the wave field in the vicinity of a caustic is also important for understanding of the wave reflection from and transmission (tunneling) through the caustic. To our knowledge, in contrast to caustics of acoustic, electromagnetic, and seismic waves as well as gravity waves in incompressible fluids, asymptotics of acoustic-gravity waves in the vicinity of a caustic have never been studied systematically. In this paper, we fill this gap. Atmospheric waves are considered as linear acoustic-gravity waves in a neutral, horizontally stratified, moving ideal gas of variable composition. Air temperature and wind velocity are assumed to be gradually varying functions of height, and slowness of these variations determines the large parameter of the problem. The scale height of the atmosphere can be large or small compared to the vertical wavelength. It is found that the uniform asymptotics of the wave field in the presence of a simple caustic can be expressed in terms of the Airy function and its derivative. As for the acoustic waves, the argument of the Airy function is expressed in terms of the eikonal calculated in the ray, or WKB, approximation. The geometrical, or Berry, phase, which arises in the consistent WKB approximation for acoustic-gravity waves, plays an important role in the caustic asymptotics. In the uniform asymptotics, the terms with the Airy function and its derivative are weighted by cosine
Ruud, Kenneth; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas J.; Ekström, Ulf; Visscher, Lucas
2012-12-01
We outline a new approach for the calculation of higher-order molecular properties for self-consistent field (SCF) wave functions (or Kohn-Sham density-functional theory) expressed in time- and perturbation-dependent basis sets. The approach is based on an atomic-orbital-based, open-ended quasienergy derivative formalism, and is applicable for use in linear scaling SCF calculations. In order to enable the calculation of any response property, we have also developed open- ended one- and two-electron integral derivative programs, as well as a program that can calculate derivatives of exchange- correlation functionals to any order using automatic differentiation. These modules have been interfaced to both the Dalton and DIRAC programs. This allows us to calculate molecular properties at the one-, two- and four-component levels of theory using a common theoretical framework and code.
Directory of Open Access Journals (Sweden)
Bessbousse H.
2013-04-01
Full Text Available Track-etched functionalized nanoporous β-PVDF membrane electrodes, or functionalized membrane electrodes (FMEs, are electrodes made from track-etched, poly(acrylic acid (PAA functionalized nanoporous β-poly(vinylidene fluoride (β-PVDF membranes with thin porous Au films sputtered on each side as electrodes. To form the β-PVDF nanoporous membranes, β-PVDF films are irradiated by swift heavy ions. After irradiation, radical tracks are stable in the membranes. Chemical etching removes some of the radical tracks revealing nanopores. Radicals, remaining in the pores, initiate radio grafting of PAA from the pore walls of the nanoporous β-PVDF. PAA is a cation exchange polymer that adsorbs metal ions, such as Pb2+, from aqueous solutions thus concentrating the ions into the membrane. After a calibrated time the FME is transferred to an electrochemical cell for square-wave anodic stripping voltammetry analysis.
Vallée, M.; Charléty, J.; Ferreira, A. M. G.; Delouis, B.; Vergoz, J.
2011-01-01
Accurate and fast magnitude determination for large, shallow earthquakes is of key importance for post-seismic response and tsumami alert purposes. When no local real-time data are available, which is today the case for most subduction earthquakes, the first information comes from teleseismic body waves. Standard body-wave methods give accurate magnitudes for earthquakes up to Mw= 7-7.5. For larger earthquakes, the analysis is more complex, because of the non-validity of the point-source approximation and of the interaction between direct and surface-reflected phases. The latter effect acts as a strong high-pass filter, which complicates the magnitude determination. We here propose an automated deconvolutive approach, which does not impose any simplifying assumptions about the rupture process, thus being well adapted to large earthquakes. We first determine the source duration based on the length of the high frequency (1-3 Hz) signal content. The deconvolution of synthetic double-couple point source signals—depending on the four earthquake parameters strike, dip, rake and depth—from the windowed real data body-wave signals (including P, PcP, PP, SH and ScS waves) gives the apparent source time function (STF). We search the optimal combination of these four parameters that respects the physical features of any STF: causality, positivity and stability of the seismic moment at all stations. Once this combination is retrieved, the integration of the STFs gives directly the moment magnitude. We apply this new approach, referred as the SCARDEC method, to most of the major subduction earthquakes in the period 1990-2010. Magnitude differences between the Global Centroid Moment Tensor (CMT) and the SCARDEC method may reach 0.2, but values are found consistent if we take into account that the Global CMT solutions for large, shallow earthquakes suffer from a known trade-off between dip and seismic moment. We show by modelling long-period surface waves of these events that
Bos, E H; Ten Have, M; van Dorsselaer, S; Jeronimus, B F; de Graaf, R; de Jonge, P
2018-01-14
The vulnerability hypothesis suggests that impairments after remission of depressive episodes reflect a pre-existing vulnerability, while the scar hypothesis proposes that depression leaves residual impairments that confer risk of subsequent episodes. We prospectively examined vulnerability and scar effects in mental and physical functioning in a representative Dutch population sample. Three waves were used from the Netherlands Mental Health Survey and Incidence Study-2, a population-based study with a 6-years follow-up. Mental and physical functioning were assessed with the Medical Outcomes Study Short Form (SF-36). Major depressive disorder (MDD) was assessed with the Composite International Diagnostic Interview 3.0. Vulnerability effects were examined by comparing healthy controls (n = 2826) with individuals who developed a first-onset depressive episode during first follow-up but did not have a lifetime diagnosis of MDD at baseline (n = 181). Scarring effects were examined by comparing pre- and post-morbid functioning in individuals who developed a depressive episode after baseline that was remitted at the third wave (n = 108). Both mental (B = -5.4, s.e. = 0.9, p vulnerability rather than a scar.
Directory of Open Access Journals (Sweden)
Mohamed Abdelsabour Fahmy
Full Text Available A numerical computer model, based on the dual reciprocity boundary element method (DRBEM for studying the generalized magneto-thermo-visco-elastic stress waves in a rotating functionally graded anisotropic thin film/substrate structure under pulsed laser irradiation is established. An implicit-implicit staggered algorithm was proposed and implemented for use with the DRBEM to get the solution for the temperature, displacement components and thermal stress components through the structure thickness. A comparison of the results for different theories is presented in the presence and absence of rotation. Some numerical results that demonstrate the validity of the proposed method are also presented.
Tarumi, Moto; Kobayashi, Masato; Nakai, Hiromi
2012-11-13
The antisymmetric product of strongly orthogonal geminals (APSG) method is a wave function theory that can effectively treat the static electron correlation. Recently, we proposed the open-shell APSG method using one-electron orbitals for open-shell parts. In this paper, we have extended the perturbation correction to the open-shell APSG calculations through Møller-Plesset-type multiconfiguration perturbation theory (MP-MCPT). Numerical applications demonstrate that the present open-shell MP-MCPT can reasonably reproduce the dissociation energies or equilibrium distances for open-shell systems.
Drachta, Jürgen T.; Kreil, Dominik; Hobbiger, Raphael; Böhm, Helga M.
2018-03-01
Correlations, highly important in low-dimensional systems, are known to decrease the plasmon dispersion of two-dimensional electron liquids. Here we calculate the plasmon properties, applying the 'Dynamic Many-Body Theory', accounting for correlated two-particle-two-hole fluctuations. These dynamic correlations are found to significantly lower the plasmon's energy. For the data obtained numerically, we provide an analytic expression that is valid across a wide range both of densities and of wave vectors. Finally, we demonstrate how this can be invoked in determining the actual electron densities from measurements on an AlGaAs quantum well.
Nazarenko, Sergey
2015-07-01
Wave turbulence is the statistical mechanics of random waves with a broadband spectrum interacting via non-linearity. To understand its difference from non-random well-tuned coherent waves, one could compare the sound of thunder to a piece of classical music. Wave turbulence is surprisingly common and important in a great variety of physical settings, starting with the most familiar ocean waves to waves at quantum scales or to much longer waves in astrophysics. We will provide a basic overview of the wave turbulence ideas, approaches and main results emphasising the physics of the phenomena and using qualitative descriptions avoiding, whenever possible, involved mathematical derivations. In particular, dimensional analysis will be used for obtaining the key scaling solutions in wave turbulence - Kolmogorov-Zakharov (KZ) spectra.
Molina-Aguilera, A.; Mancilla, F. D. L.; Julià, J.; Morales, J.
2017-12-01
Joint inversion techniques of P-receiver functions and wave dispersion data implicitly assume an isotropic radial stratified earth. The conventional approach invert stacked radial component receiver functions from different back-azimuths to obtain a laterally homogeneous single-velocity model. However, in the presence of strong lateral heterogeneities as anisotropic layers and/or dipping interfaces, receiver functions are considerably perturbed and both the radial and transverse components exhibit back azimuthal dependences. Harmonic analysis methods exploit these azimuthal periodicities to separate the effects due to the isotropic flat-layered structure from those effects caused by lateral heterogeneities. We implement a harmonic analysis method based on radial and transverse receiver functions components and carry out a synthetic study to illuminate the capabilities of the method in isolating the isotropic flat-layered part of receiver functions and constrain the geometry and strength of lateral heterogeneities. The independent of the baz P receiver function are jointly inverted with phase and group dispersion curves using a linearized inversion procedure. We apply this approach to high dense seismic profiles ( 2 km inter-station distance, see figure) located in the central Betics (western Mediterranean region), a region which has experienced complex geodynamic processes and exhibit strong variations in Moho topography. The technique presented here is robust and can be applied systematically to construct a 3-D model of the crust and uppermost mantle across large networks.
DEFF Research Database (Denmark)
Margheritini, Lucia; Nørgaard, Jørgen Harck
2012-01-01
. By collecting the experience from mainly three different wave energy developers, the possible alternative functions (other than energy production) of the devices are describe: Wave Dragon can be effectively used to reduce coastline erosion and/or as mussel farm; the Sea wave Slot cone Generator (SSG) can...
Nonlinear Waves on Stochastic Support: Calcium Waves in Astrocyte Syncytia
Jung, P.; Cornell-Bell, A. H.
Astrocyte-signaling has been observed in cell cultures and brain slices in the form of Calcium waves. Their functional relevance for neuronal communication, brain functions and diseases is, however, not understood. In this paper, the propagation of intercellular calcium waves is modeled in terms of waves in excitable media on a stochastic support. We utilize a novel method to decompose the spatiotemporal patterns into space-time clusters (wave fragments). Based on this cluster decomposition, a statistical description of wave patterns is developed.
Directory of Open Access Journals (Sweden)
Birhanu Mekassa
2017-11-01
Full Text Available A simple and reproducible poly(l-aspartic acid/functionalized multi-walled carbon nanotubes composite modified glassy carbon electrode, P(LAsp/f-MWCNTs/GCE, was constructed for simultaneous determination of caffeine and theophylline using square wave voltammetry. The electrode preserves and combines the properties of the individual modifiers synergistically. The electrochemical response of P(LAsp/f-MWCNTs/GCE was characterized by cyclic voltammetry. A significant enhancement in the peak current response of CF and TP were observed accompanied with a negative shift in peak potential at the composite modified electrode compared to the bare electrode. The prepared P(LAsp/f-MWCNTs/GCE exhibited excellent SWV response towards the simultaneous detection of CF and TP in the range of 1â150 and 0.1â50Î¼M with limit of detection of 0.28 and 0.02Î¼M (S/N=3, respectively. Real sample analysis has been successfully carried out in green tea, blood serum and pharmaceutical formulation of Panadol extra samples, which revealed good recovery results, 92.0â106%. The proposed sensor also displayed good selectivity, repeatability and reproducibility with appreciable long-term stability, indicating the feasibility and reliability. Keywords: Poly(l-aspartic acid/functionalized multi-walled carbon nanotubes composite modified electrode, Square wave voltammetry, Simultaneous determination caffeine and theophylline, Green tea, Blood serum, Panadol extra
Energy Technology Data Exchange (ETDEWEB)
Melnik, Eva [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Department of Analytical Chemistry, University of Vienna, Waehringer Strasse 38, 1090 Vienna (Austria); Bruck, Roman [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Hainberger, Rainer, E-mail: rainer.hainberger@ait.ac.at [Health and Environment Department, Nano Systems, AIT Austrian Institute of Technology GmbH, Donau-City-Strasse 1, 1220 Vienna (Austria); Laemmerhofer, Michael, E-mail: michael.laemmerhofer@univie.ac.at [Department of Analytical Chemistry, University of Vienna, Waehringer Strasse 38, 1090 Vienna (Austria)
2011-08-12
Highlights: {yields} We realize a biosensing platform for polyimide evanescent photonic wave sensors. {yields} We show that the surface functionalization via silanisation and biotinylation followed by streptavidin immobilization do not destroy or damage the thin polyimide film. {yields} A highly dense streptavidin layer enables the immobilisation of biotinylated ligands such as biotinylated ssDNA for the selective measurement of DNA hybridization. - Abstract: The process of surface functionalization involving silanization, biotinylation and streptavidin bonding as platform for biospecific ligand immobilization was optimized for thin film polyimide spin-coated silicon wafers, of which the polyimide film serves as a wave guiding layer in evanescent wave photonic biosensors. This type of optical sensors make great demands on the materials involved as well as on the layer properties, such as the optical quality, the layer thickness and the surface roughness. In this work we realized the binding of a 3-mercaptopropyl trimethoxysilane on an oxygen plasma activated polyimide surface followed by subsequent derivatization of the reactive thiol groups with maleimide-PEG{sub 2}-biotin and immobilization of streptavidin. The progress of the functionalization was monitored by using different fluorescence labels for optimization of the chemical derivatization steps. Further, X-ray photoelectron spectroscopy and atomic force microscopy were utilized for the characterization of the modified surface. These established analytical methods allowed to derive information like chemical composition of the surface, surface coverage with immobilized streptavidin, as well as parameters of the surface roughness. The proposed functionalization protocol furnished a surface density of 144 fmol mm{sup -2} streptavidin with good reproducibility (13.9% RSD, n = 10) and without inflicted damage to the surface. This surface modification was applied to polyimide based Mach-Zehnder interferometer
Swanson, DG
1989-01-01
Plasma Waves discusses the basic development and equations for the many aspects of plasma waves. The book is organized into two major parts, examining both linear and nonlinear plasma waves in the eight chapters it encompasses. After briefly discussing the properties and applications of plasma wave, the book goes on examining the wave types in a cold, magnetized plasma and the general forms of the dispersion relation that characterize the waves and label the various types of solutions. Chapters 3 and 4 analyze the acoustic phenomena through the fluid model of plasma and the kinetic effects. Th
Eby, Lillian T.; Rothrauff-Laschober, Tanja C.
2011-01-01
Using data from a nationwide study, we annually track a cohort of 598 substance use disorder counselors over a 4-wave period to (1) document the cumulative rates of voluntary turnover and (2) examine how counselor perceptions of the organizational environment (procedural justice, distributive justice, perceived organizational support, job satisfaction) and clinical supervisor leadership effectiveness (relationship quality, in-role performance, extra-role performance) predict voluntary turnover over time. Survey data were collected from counselors in year 1 and actual turnover data were collected from organizational records in year 2, 3, and 4. Findings reveal that 25% of the original counselors turned over by year 2, 39% by year 3, and 47% by year 4. Counselors with more favorable perceptions of the organizational environment are between 13.8% – 22.8% less likely to turn over than those with less favorable perceptions. None of the leadership effectiveness variables are significant. PMID:22116013
On the impact of wave-current on Stokes waves | Oyetunde | Journal ...
African Journals Online (AJOL)
This study considers the impact of wave - current on Stokes waves in deep water. Using separately, the third, fourth and fifth order approximations of wave profile functions respectively and the determined expressions for wave – current speed , it is shown that the wave - current speed is more intense on the surface of the ...
Turbulent wind waves on a water current
Directory of Open Access Journals (Sweden)
M. V. Zavolgensky
2008-05-01
Full Text Available An analytical model of water waves generated by the wind over the water surface is presented. A simple modeling method of wind waves is described based on waves lengths diagram, azimuthal hodograph of waves velocities and others. Properties of the generated waves are described. The wave length and wave velocity are obtained as functions on azimuth of wave propagation and growth rate. Motionless waves dynamically trapped into the general picture of three dimensional waves are described. The gravitation force does not enter the three dimensional of turbulent wind waves. That is why these waves have turbulent and not gravitational nature. The Langmuir stripes are naturally modeled and existence of the rogue waves is theoretically proved.
DEFF Research Database (Denmark)
Kramer, Morten; Brorsen, Michael; Frigaard, Peter
Denne rapport beskriver numeriske beregninger af forskellige flydergeometrier for bølgeenergianlæget Wave Star.......Denne rapport beskriver numeriske beregninger af forskellige flydergeometrier for bølgeenergianlæget Wave Star....
Energy Technology Data Exchange (ETDEWEB)
Miller, Jonah Maxwell [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-10-18
This report has slides on Gravitational Waves; Pound and Rebka: A Shocking Fact; Light is a Ruler; Gravity is the Curvature of Spacetime; Gravitational Waves Made Simple; How a Gravitational Wave Affects Stuff Here; LIGO; This Detection: Neutron Stars; What the Gravitational Wave Looks Like; The Sound of Merging Neutron Stars; Neutron Star Mergers: More than GWs; The Radioactive Cloud; The Kilonova; and finally Summary, Multimessenger Astronomy.
DEFF Research Database (Denmark)
Kofoed, Jens Peter; Frigaard, Peter; Sørensen, H. C.
1998-01-01
This paper concerns with the development of the wave energy converter (WEC) Wave Dragon. This WEC is based on the overtopping principle. An overview of the performed research done concerning the Wave Dragon over the past years is given, and the results of one of the more comprehensive studies...
Towne, Dudley H
1988-01-01
This excellent undergraduate-level text emphasizes optics and acoustics, covering inductive derivation of the equation for transverse waves on a string, acoustic plane waves, boundary-value problems, polarization, three-dimensional waves and more. With numerous problems (solutions for about half). ""The material is superbly chosen and brilliantly written"" - Physics Today. Problems. Appendices.
DEFF Research Database (Denmark)
This book is dedicated to various aspects of electromagnetic wave theory and its applications in science and technology. The covered topics include the fundamental physics of electromagnetic waves, theory of electromagnetic wave propagation and scattering, methods of computational analysis......, material characterization, electromagnetic properties of plasma, analysis and applications of periodic structures and waveguide components, etc....
Li, Yonghua; Wang, Xingchen; Zhang, Ruiqing; Wu, Qingju; Ding, Zhifeng
2017-05-01
We investigated the crustal structure at 34 stations using the H-κ stacking method and jointly inverting receiver functions with Rayleigh-wave phase and group velocities. These seismic stations are distributed along a profile extending across the Songpan-Ganzi Terrane, Qinling-Qilian terranes and southwestern Ordos Basin. Our results reveal the variation in crustal thickness across this profile. We found thick crust beneath the Songpan-Ganzi Terrane (47-59 km) that decreases to 45-47 km in the west Qinling and Qilian terranes, and reaches its local minimum beneath the southwestern Ordos Block (43-51 km) at an average crustal thickness of 46.7 ± 2.5 km. A low-velocity zone in the upper crust was found beneath most of the stations in NE Tibet, which may be indicative of partial melt or a weak detachment layer. Our observations of low to moderate Vp/Vs (1.67-1.79) represent a felsic to intermediate crustal composition. The shear velocity models estimated from joint inversions also reveal substantial lateral variations in velocity beneath the profile, which is mainly reflected in the lower crustal velocities. For the Ordos Block, the average shear wave velocities below 20 km are 3.8 km/s, indicating an intermediate-to-felsic lower crust. The thick NE Tibet crust is characterized by slow shear wave velocities (3.3-3.6 km/s) below 20 km and lacks high-velocity material (Vs ≥ 4.0 km/s) in the lower crust, which may be attributed to mafic lower crustal delamination or/and the thickening of the upper and middle crust.
Lloyd, Stephen F.
The purpose of this research is to test the effectiveness of forward and inverse modeling approaches in wave propagation analysis problems with complex settings and scenarios that include fluid-solid interfaces, non-stationary sources, and non-point sources not previously investigated. The research is made up of three components. First, finite element method modeling and a genetic algorithm are employed to assess the feasibility of using inverse modeling to determine the thickness of the surface ice on Europa, one of Jupiter's moons, and the depth of a possible subsurface ocean. The feasibility study presented in this dissertation considers the specific case in which inverse modeling might be used to determine the depths of ice and ocean layers on Europa for a possible space mission in which the effects of a spacecraft-released impactor on Europa's surface are measured. Second, reconstructing dynamic distributed loads, such as truck loads on highways, require inverting for large numbers of parameters. To address solving for the large number of unknowns in such problems, an adjoint-method-based acoustic-source inversion procedure for reconstructing multiple moving, non-point acoustic sources is developed and tested with numerical experiments. Third, forward modeling of moving sources in three-dimensional (3D) settings is tested with numerical experiments using SPECFEM3D, an open source spectral element method program. Researching forward modeling for complicated scenarios such as moving acoustic sources in fluid-solid coupled systems in 3D is an important step toward using SPECFEM3D for moving-source inversion problems in 3D. The conclusions of the research presented are as follows: It is feasible to estimate the thickness of the ice layer on the surface of Europa and the depth of a subsurface ocean with inverse modeling based on measured wave motions in the ice caused by a planned impact. The adjoint method is effective in reconstructing large numbers of acoustic
Aliyari, Hamed; Kazemi, Masoomeh; Tekieh, Elaheh; Salehi, Maryam; Sahraei, Hedayat; Daliri, Mohammad Reza; Agaei, Hassan; Minaei-Bidgoli, Behrouz; Lashgari, Reza; Srahian, Nahid; Hadipour, Mohammad Mehdi; Salehi, Mostafa; Ranjbar Aghdam, Asghar
2015-07-01
Computer games have attracted remarkable attentions in general publics with different cultures and their effects are subject of research by cognitive neuroscientists. In the present study, possible effects of the game Fifa 2015 on cognitive performance, hormonal levels, and electroencephalographic (EEG) signals were evaluated in young male volunteers. Thirty two subjects aged 20 years on average participated mutually in playing computer game Fifa 2015. Identification information and general knowledge about the game were collected. Saliva samples from the contestants were obtained before and after the competition. Perceptive and cognitive performance including the general cognitive health, response delay, attention maintenance, and mental fatigue were measured using PASAT test. EEG were recorded during the play using EEG device and analyzed later using QEEG. Simultaneously, the players' behavior were recorded using a video camera. Saliva cortisol levels were assessed by ELISA kit. Data were analyzed by SPSS program. The impact of playing computer games on cortisol concentration of saliva before and after the game showed that the amount of saliva plasma after playing the game has dropped significantly. Also the impact of playing computer games on mental health, before and after the game indicated that the number of correct answers has not changed significantly. This indicates that sustained attention has increased in participants after the game in comparison with before that. Also it is shown that mental fatigue measured by PASAT test, did not changed significantly after the game in comparison to before that. The impact of game on changes in brain waves showed that the subjects in high activity state during playing the game had higher power of the EEG signals in most of the channels in lower frequency bands in compared to normal state. The present study showed that computer games can positively affect the stress system and the perceptual-cognitive system. Even though
DEFF Research Database (Denmark)
Feidenhans, Nikolaj A.; Jensen, Thomas Glasdam; Lafleur, Josiane P.
2013-01-01
functionalized with biotin using photografting. The biotin was used for immobilization of fluorescently labelled streptavidin, and experiments revealed a linear correlation between streptavidin concentration and fluorescent intensity. To further demonstrate the attractiveness of using thiol-ene for optofluidic...
DEFF Research Database (Denmark)
Feidenhans'l, Nikolaj Agentoft; Jensen, Thomas Glasdam; Lafleur, Josiane P.
2013-01-01
functionalized with biotin using photografting. The biotin was used for immobilization of fluorescently labelled streptavidin, and experiments revealed a linear correlation between streptavidin concentration and fluorescent intensity. To further demonstrate the attractiveness of using thiol−ene for optofluidic...
Directory of Open Access Journals (Sweden)
Linpei Jia
2017-03-01
Full Text Available Background/Aims: In this study, we aim to investigate the association between renal function and arterial stiffness in a Chinese Han population, and further to discuss the effects of smoking on renal function. Methods: We collected the data of the brachium-ankle pulse wave velocity (baPWV, blood pressure, blood chemistry and smoking status. Then, the multiple linear regression was done to explore the relationship between estimated glomerular filtration (eGFR and baPWV. Further, the parameters were compared among the four groups divided according to the quartiles of baPWV. Finally, the baPWV, eGFR and albuminuria values were compared between smokers and non-smokers. Results: baPWV is associated with eGFR in the correlation analysis and univariate linear regression model. After adjustment, the pulse pressure (PP instead of baPWV showed a significant association with eGFR. Nevertheless, the eGFR values differed among the four baPWV groups; the baPWV values were significantly higher in the subjects at the CKD (eGFR<60 mL/min/1.73 m2 and the early CKD stage (eGFR60–80 mL/min/1.73 m2. The baPWV values and the ratio of proteinuria were significantly increased in smokers. Conclusion: PP but not baPWV is a predictor of declined renal function. Smokers have worse arterial stiffness and worse renal function.
Wave-particle dualism of spiral waves dynamics.
Biktasheva, I V; Biktashev, V N
2003-02-01
We demonstrate and explain a wave-particle dualism of such classical macroscopic phenomena as spiral waves in active media. That means although spiral waves appear as nonlocal processes involving the whole medium, they respond to small perturbations as effectively localized entities. The dualism appears as an emergent property of a nonlinear field and is mathematically expressed in terms of the spiral waves response functions, which are essentially nonzero only in the vicinity of the spiral wave core. Knowledge of the response functions allows quantitatively accurate prediction of the spiral wave drift due to small perturbations of any nature, which makes them as fundamental characteristics for spiral waves as mass is for the condensed matter.
Ibrahim, A.; Marsiglio, F.
2018-03-01
The solution to a problem in quantum mechanics is generally a linear superposition of states. The solutions for double well potentials epitomize this property, and go even further than this: they can often be described by an effective model whose low energy features can be described by two states—one in which the particle is on one side of the barrier, and a second where the particle is on the other side. Then the ground state remains a linear superposition of these two macroscopic-like states. In this paper, we illustrate that this property is achieved similarly with an attractive potential that separates two regions of space, as opposed to the traditionally repulsive one. In explaining how this comes about we revisit the concept of "orthogonalized plane waves," first discussed in 1940 to understand electronic band structure in solids, along with the accompanying concept of a pseudopotential. We show how these ideas manifest themselves in a simple double well potential, whose "barrier" consists of a moat instead of the conventional wall.
Directory of Open Access Journals (Sweden)
Zheng-Johansson J. X.
2006-10-01
Full Text Available The electromagnetic component waves, comprising together with their generating oscillatory massless charge a material particle, will be Doppler shifted when the charge hence particle is in motion, with a velocity v, as a mere mechanical consequence of the source motion. We illustrate here that two such component waves generated in opposite directions and propagating at speed c between walls in a one-dimensional box, superpose into a traveling beat wave of wavelength Λd=vcΛ and phase velocity c2/v+v which resembles directly L. de Broglie’s hypothetic phase wave. This phase wave in terms of transmitting the particle mass at the speed v and angular frequency Ωd= 2πv/Λd, with Λd and Ωd obeying the de Broglie relations, represents a de Broglie wave. The standing-wave function of the de Broglie (phase wave and its variables for particle dynamics in small geometries are equivalent to the eigen-state solutions to Schrödinger equation of an identical system.
Small, David W; Sundstrom, Eric J; Head-Gordon, Martin
2015-03-07
We introduce a necessary and sufficient condition for an arbitrary wavefunction to be collinear, i.e., its spin is quantized along some axis. It may be used to obtain a cheap and simple computational procedure to test for collinearity in electronic structure theory calculations. We adapt the procedure for Generalized Hartree Fock (GHF), and use it to study two dissociation pathways in CO2. For these dissociation processes, the GHF wave functions transform from low-spin Unrestricted Hartree Fock (UHF) type states to noncollinear GHF states and on to high-spin UHF type states, phenomena that are succinctly illustrated by the constituents of the collinearity test. This complements earlier GHF work on this molecule.
International Nuclear Information System (INIS)
Yoon, Tai Hyun
2007-01-01
We study analytically the dynamic cancellation of ac Stark shift in the recently proposed pulsed electromagnetically-induced-transparency (EIT-)Raman optical lattice clock based on the wave-function formalism. An explicit expression for the time evolution operator corresponding to the effective two-level interaction Hamiltonian has been obtained in order to explain the atomic phase shift cancellation due to the ac Stark shift induced by the time-separated laser pulses. We present how to determine an optimum value of the common detuning of the driving fields at which the atomic phase shift cancels completely with the parameters for the practical realization of the EIT-Raman optical lattice clock with alkaline-earth-metal atoms
Directory of Open Access Journals (Sweden)
Roberto Androson
2013-12-01
Full Text Available Objective: This paper has the purpose to analyze prospectively the treatment results in patients with chronic plantar fasciitis resistant to conservative treatment who underwent extracorporeal shock wave therapy (ESWT. Methods: We evaluated 30 patients (36 feet; 16 (53.3% patients were male and 14 (47.7% female with mean age of 48.7 y.o., varying from 33 to 78 y.o.; 16 (53.3% present the problem on the left side, 14 (46.7% on the right ones and 6 (20% bilateral; the symptomatology varied from 6 to 60 months, with the average of 13.58 months. These patients were submitted to a weekly ESWT session for 4 consecutive weeks. We measured the plantar fascia thickness millimeters with ultrasound and we applied American Orthopaedic Foot and Ankle Society (AOFAS scale for ankle and hindfoot, and Roles & Maudsley scales in pre ESWT, after one, three and six months after and decrease in the plantar fascia thickness by the ultrasound (p = 0.011 along the different moments studied. Results: We observed improvement of the evaluated criteria (p < 0.001 and plantar fascia thickness by ultrasound (p = 0.011 at different time points studied. Conclusion: The ESWT can be considered an important tool in the primary or adjuvant treatment of the chronic plantar fasciitis when associated with conventional therapies. This methodology is safe, non-invasive and provides precocious rehabilitation and return to regular activities considering the results of the statistical analysis. This resource provides decrease in the thickness of the plantar fascia.
Corinaldesi, Ernesto
1963-01-01
Geared toward advanced undergraduate and graduate students of physics, this text provides readers with a background in relativistic wave mechanics and prepares them for the study of field theory. The treatment originated as a series of lectures from a course on advanced quantum mechanics that has been further amplified by student contributions.An introductory section related to particles and wave functions precedes the three-part treatment. An examination of particles of spin zero follows, addressing wave equation, Lagrangian formalism, physical quantities as mean values, translation and rotat
Peeters, Marloes M; van Grinsven, Bart; Foster, Christopher W; Cleij, Thomas J; Banks, Craig E
2016-04-26
A novel procedure is developed for producing bulk modified Molecularly Imprinted Polymer (MIP) screen-printed electrodes (SPEs), which involves the direct mixing of the polymer particles within the screen-printed ink. This allowed reduction of the sample preparation time from 45 min to 1 min, and resulted in higher reproducibility of the electrodes. The samples are measured with a novel detection method, namely, thermal wave transport analysis (TWTA), relying on the analysis of thermal waves through a functional interface. As a first proof-of-principle, MIPs for dopamine are developed and successfully incorporated within a bulk modified MIP SPE. The detection limits of dopamine within buffer solutions for the MIP SPEs are determined via three independent techniques. With cyclic voltammetry this was determined to be 4.7 × 10(-6) M, whereas by using the heat-transfer method (HTM) 0.35 × 10(-6) M was obtained, and with the novel TWTA concept 0.26 × 10(-6) M is possible. This TWTA technique is measured simultaneously with HTM and has the benefits of reducing measurement time to less than 5 min and increasing effect size by nearly a factor of two. The two thermal methods are able to enhance dopamine detection by one order of magnitude compared to the electrochemical method. In previous research, it was not possible to measure neurotransmitters in complex samples with HTM, but with the improved signal-to-noise of TWTA for the first time, spiked dopamine concentrations were determined in a relevant food sample. In summary, novel concepts are presented for both the sensor functionalization side by employing screen-printing technology, and on the sensing side, the novel TWTA thermal technique is reported. The developed bio-sensing platform is cost-effective and suitable for mass-production due to the nature of screen-printing technology, which makes it very interesting for neurotransmitter detection in clinical diagnostic applications.
Ferenczy, György G
2013-04-05
Mixed quantum mechanics/quantum mechanics (QM/QM) and quantum mechanics/molecular mechanics (QM/MM) methods make computations feasible for extended chemical systems by separating them into subsystems that are treated at different level of sophistication. In many applications, the subsystems are covalently bound and the use of frozen localized orbitals at the boundary is a possible way to separate the subsystems and to ensure a sensible description of the electronic structure near to the boundary. A complication in these methods is that orthogonality between optimized and frozen orbitals has to be warranted and this is usually achieved by an explicit orthogonalization of the basis set to the frozen orbitals. An alternative to this approach is proposed by calculating the wave-function from the Huzinaga equation that guaranties orthogonality to the frozen orbitals without basis set orthogonalization. The theoretical background and the practical aspects of the application of the Huzinaga equation in mixed methods are discussed. Forces have been derived to perform geometry optimization with wave-functions from the Huzinaga equation. Various properties have been calculated by applying the Huzinaga equation for the central QM subsystem, representing the environment by point charges and using frozen strictly localized orbitals to connect the subsystems. It is shown that a two to three bond separation of the chemical or physical event from the frozen bonds allows a very good reproduction (typically around 1 kcal/mol) of standard Hartree-Fock-Roothaan results. The proposed scheme provides an appropriate framework for mixed QM/QM and QM/MM methods. Copyright © 2012 Wiley Periodicals, Inc.
Periodic folded waves for a (2+1)-dimensional modified dispersive water wave equation
International Nuclear Information System (INIS)
Wen-Hua, Huang
2009-01-01
A general solution, including three arbitrary functions, is obtained for a (2+1)-dimensional modified dispersive water-wave (MDWW) equation by means of the WTC truncation method. Introducing proper multiple valued functions and Jacobi elliptic functions in the seed solution, special types of periodic folded waves are derived. In the long wave limit these periodic folded wave patterns may degenerate into single localized folded solitary wave excitations. The interactions of the periodic folded waves and the degenerated single folded solitary waves are investigated graphically and found to be completely elastic. (general)
CERN. Geneva
2005-01-01
We will present a brief introduction to the physics of gravitational waves and their properties. We will review potential astrophysical sources of gravitational waves, and the physics and astrophysics that can be learned from their study. We will survey the techniques and technologies for detecting gravitational waves for the first time, including bar detectors and broadband interferometers, and give a brief status report on the international search effort, with special emphasis on the LIGO detectors and search results.
Xu, Gang; Li, Xiaoli; Li, Duan; Liu, Xiaomin
2014-01-01
In the last two decades, functional near-infrared spectroscopy (fNIRS) is getting more and more popular as a neuroimaging technique. The fNIRS instrument can be used to measure local hemodynamic response, which indirectly reflects the functional neural activities in human brain. In this study, an easily implemented way to establish DAQ-device-based fNIRS system was proposed. Basic instrumentation components (light sources driving, signal conditioning, sensors, and optical fiber) of the fNIRS system were described. The digital in-phase and quadrature demodulation method was applied in LabVIEW software to distinguish light sources from different emitters. The effectiveness of the custom-made system was verified by simultaneous measurement with a commercial instrument ETG-4000 during Valsalva maneuver experiment. The light intensity data acquired from two systems were highly correlated for lower wavelength (Pearson's correlation coefficient r = 0.92, P < 0.01) and higher wavelength (r = 0.84, P < 0.01). Further, another mental arithmetic experiment was implemented to detect neural activation in the prefrontal cortex. For 9 participants, significant cerebral activation was detected in 6 subjects (P < 0.05) for oxyhemoglobin and in 8 subjects (P < 0.01) for deoxyhemoglobin.
Directory of Open Access Journals (Sweden)
Gang Xu
2014-01-01
Full Text Available In the last two decades, functional near-infrared spectroscopy (fNIRS is getting more and more popular as a neuroimaging technique. The fNIRS instrument can be used to measure local hemodynamic response, which indirectly reflects the functional neural activities in human brain. In this study, an easily implemented way to establish DAQ-device-based fNIRS system was proposed. Basic instrumentation components (light sources driving, signal conditioning, sensors, and optical fiber of the fNIRS system were described. The digital in-phase and quadrature demodulation method was applied in LabVIEW software to distinguish light sources from different emitters. The effectiveness of the custom-made system was verified by simultaneous measurement with a commercial instrument ETG-4000 during Valsalva maneuver experiment. The light intensity data acquired from two systems were highly correlated for lower wavelength (Pearson’s correlation coefficient r = 0.92, P < 0.01 and higher wavelength (r = 0.84, P < 0.01. Further, another mental arithmetic experiment was implemented to detect neural activation in the prefrontal cortex. For 9 participants, significant cerebral activation was detected in 6 subjects (P < 0.05 for oxyhemoglobin and in 8 subjects (P < 0.01 for deoxyhemoglobin.
Liu, T.; Klemperer, S. L.; Yu, C.; Ning, J.
2017-12-01
In the past decades, P wave receiver functions (PRF) have been routinely used to image the Moho, although it is well known that PRFs are susceptible to contamination from sedimentary multiples. Recently, Virtual Deep Seismic Sounding (VDSS) emerged as a novel method to image the Moho. However, despite successful applications of VDSS on multiple datasets from different areas, how sedimentary basins affect the waveforms of post-critical SsPmp, the Moho reflection phase used in VDSS, is not widely understood. Here, motivated by a dataset collected in the Ordos plateau, which shows distinct effects of sedimentary basins on SsPmp and Pms waveforms, we use synthetic seismograms to study the effects of sedimentary basins on SsPmp and Pms, the phases used in VDSS and PRF respectively. The results show that when the sedimentary thickness is on the same order of magnitude as the dominant wavelength of the incident S wave, SsPmp amplitude decreases significantly with S velocity of the sedimentary layer, whereas increasing sedimentary thickness has little effect in SsPmp amplitude. Our explanation is that the low S velocity layer at the virtual source reduces the incident angle of S wave at the free surface, thus decreases the S-to-P reflection coefficient at the virtual source. In addition, transmission loss associated with the bottom of sedimentary basins also contributes to reducing SsPmp amplitude. This explains not only our observations from the Ordos plateau, but also observations from other areas where post-critical SsPmp is expected to be observable, but instead is too weak to be identified. As for Pms, we observe that increasing sedimentary thickness and decreasing sedimentary velocities both can cause interference between sedimentary multiples and Pms, rendering the Moho depths inferred from Pms arrival times unreliable. The reason is that although Pms amplitude does not vary with sedimentary thickness or velocities, as sedimentary velocities decrease and thickness
Ferrate, Andres
2010-01-01
Catch Google Wave, the revolutionary Internet protocol and web service that lets you communicate and collaborate in realtime. With this book, you'll understand how Google Wave integrates email, instant messaging (IM), wiki, and social networking functionality into a powerful and extensible platform. You'll also learn how to use its features, customize its functions, and build sophisticated extensions with Google Wave's open APIs and network protocol. Written for everyone -- from non-techies to ninja coders -- Google Wave: Up and Running provides a complete tour of this complex platform. You'
Jia, Linpei; Zhang, Weiguang; Ma, Jie; Chen, Xizhao; Chen, Lei; Li, Zuoxiang; Cai, Guangyan; Huang, Jing; Zhang, Jinping; Bai, Xiaojuan; Feng, Zhe; Sun, Xuefeng; Chen, Xiangmei
2017-01-01
In this study, we aim to investigate the association between renal function and arterial stiffness in a Chinese Han population, and further to discuss the effects of smoking on renal function. We collected the data of the brachium-ankle pulse wave velocity (baPWV), blood pressure, blood chemistry and smoking status. Then, the multiple linear regression was done to explore the relationship between estimated glomerular filtration (eGFR) and baPWV. Further, the parameters were compared among the four groups divided according to the quartiles of baPWV. Finally, the baPWV, eGFR and albuminuria values were compared between smokers and non-smokers. baPWV is associated with eGFR in the correlation analysis and univariate linear regression model. After adjustment, the pulse pressure (PP) instead of baPWV showed a significant association with eGFR. Nevertheless, the eGFR values differed among the four baPWV groups; the baPWV values were significantly higher in the subjects at the CKD (eGFR<60 mL/min/1.73 m2) and the early CKD stage (eGFR60-80 mL/min/1.73 m2). The baPWV values and the ratio of proteinuria were significantly increased in smokers. PP but not baPWV is a predictor of declined renal function. Smokers have worse arterial stiffness and worse renal function. © 2017 The Author(s)Published by S. Karger AG, Basel.
Lacoste, Deanna
2016-06-23
The responses of laminar methane-air flames to forcing by acoustic waves, AC electric fields, and nanosecond repetitively pulsed (NRP) glow discharges are reported here. The experimental setup consists of an axisymmetric burner with a nozzle made from a quartz tube. Three different flame geometries have been studied: conical, M-shaped and V-shaped flames. A central stainless steel rod is used as a cathode for the electric field and plasma excitations. The acoustic forcing is obtained with a loudspeaker located at the bottom part of the burner. For forcing by AC electric fields, a metallic grid is placed above the rod and connected to an AC power supply. Plasma forcing is obtained by applying high-voltage pulses of 10-ns duration applied at 10 kHz, between the rod and an annular stainless steel ring, placed at the outlet of the quartz tube. The chemiluminescence of CH is used to determine the heat release rate fluctuations. For forcing by acoustic waves and plasma, the geometry of the flame plays a key role in the response of the combustion, while the flame shape does not affect the response of the combustion to electric field forcing. The flame response to acoustic forcing of about 10% of the incoming flow is similar to those obtained in the literature. The flames are found to be responsive to an AC electric field across the whole range of frequencies studied. A forcing mechanism, based on the generation of ionic wind, is proposed. The gain of the transfer function obtained for plasma forcing is found to be up to 5 times higher than for acoustic forcing. A possible mechanism of plasma forcing is introduced.
Directory of Open Access Journals (Sweden)
Tomoaki Shiba
2014-01-01
Full Text Available Aim. To determine whether there is a significant correlation between the optic nerve head (ONH circulation determined by laser speckle flowgraphy (LSFG and kidney function. Materials. Seventy-one subjects were investigated. The estimated glomerular filtration rate (GFR and serum creatinine, cystatin C, and urinary albumin excretion were measured. The ONH circulation was determined by an analysis of the pulse wave of LSFG, and this parameter was named blowout time (BOT. Chronic kidney disease (CKD was defined to be present when the estimated GFR was <60 mL/min per 1.73 m2. Pearson’s correlation coefficients were used to determine the relationship between the BOT and the kidney function. We also examined whether there were significant differences in all parameters in patients with and without CKD. Results. BOT was significantly correlated with the level of creatinine (r=-0.24, P=0.04, the estimated GFR (r=0.42, P=0.0003, cystatin C (r=-0.29, P=0.01, and urinary albumin excretion (r=-0.29, P=0.01. The BOT level in subjects with CKD was significantly lower than that in subjects without CKD (P=0.002. Conclusion. BOT in ONH by LSFG can detect the organ damage such as kidney dysfunction, CKD.
Directory of Open Access Journals (Sweden)
Zhong-Cheng Xin
2013-05-01
Full Text Available To investigate the therapeutic effect of different doses of low energy shock wave therapy (LESWT on the erectile dysfunction (ED in streptozotocin (STZ induced diabetic rats. SD rats (n = 75 were randomly divided into 5 groups (normal control, diabetic control, 3 different dose LESWT treated diabetic groups. Diabetic rats were induced by intra-peritoneal injection of STZ (60 mg/kg and rats with fasting blood glucose ≥ 300 mg/dL were selected as diabetic models. Twelve weeks later, different doses of LESWT (100, 200 and 300 shocks each time treatment on penises were used to treat ED (7.33 MPa, 2 shocks/s three times a week for two weeks. The erectile function was evaluated by intracavernous pressure (ICP after 1 week washout period. Then the penises were harvested for histological study. The results showed LESWT could significantly improve the erectile function of diabetic rats, increase smooth muscle and endothelial contents, up-regulate the expression of α-SMA, vWF, nNOS and VEGF, and down- regulate the expression of RAGE in corpus cavernosum. The therapeutic effect might relate to treatment dose positively, and the maximal therapeutic effect was noted in the LESWT300 group. Consequently, 300 shocks each time might be the ideal LESWT dose for diabetic ED treatment.
Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg
2017-05-09
A local resolution-of-the-identity (LRI) approach is introduced in combination with the Gaussian and plane waves (GPW) scheme to enable large-scale Kohn-Sham density functional theory calculations. In GPW, the computational bottleneck is typically the description of the total charge density on real-space grids. Introducing the LRI approximation, the linear scaling of the GPW approach with respect to system size is retained, while the prefactor for the grid operations is reduced. The density fitting is an O(N) scaling process implemented by approximating the atomic pair densities by an expansion in one-center fit functions. The computational cost for the grid-based operations becomes negligible in LRIGPW. The self-consistent field iteration is up to 30 times faster for periodic systems dependent on the symmetry of the simulation cell and on the density of grid points. However, due to the overhead introduced by the local density fitting, single point calculations and complete molecular dynamics steps, including the calculation of the forces, are effectively accelerated by up to a factor of ∼10. The accuracy of LRIGPW is assessed for different systems and properties, showing that total energies, reaction energies, intramolecular and intermolecular structure parameters are well reproduced. LRIGPW yields also high quality results for extended condensed phase systems such as liquid water, ice XV, and molecular crystals.
Kobayashi, Masato
2014-02-28
The analytical gradient for the atomic-orbital-based Hartree-Fock-Bogoliubov (HFB) energy functional, the modified form of which was proposed by Staroverov and Scuseria to account for the static electron correlation [J. Chem. Phys. 117, 11107 (2002)], is derived. Interestingly, the Pulay force for the HFB energy is expressed with the same formula as that for the Hartree-Fock method. The efficiency of the present HFB energy gradient is demonstrated in the geometry optimizations of conjugated and biradical systems. The geometries optimized by using the HFB method with the appropriate factor ζ, which controls the degree of static correlation included, are found to show good agreement with those obtained by using a complete active-space self-consistent field method, although they are significantly dependent on ζ.
International Nuclear Information System (INIS)
Barysz, Maria; Mentel, Lukasz; Leszczynski, Jerzy
2009-01-01
The two-component Hamiltonian of the infinite-order two-component (IOTC) theory is obtained by a unitary block-diagonalizing transformation of the Dirac-Hamiltonian. Once the IOTC spin orbitals are calculated, they can be back transformed into four-component solutions. The transformed four component solutions are then used to evaluate different moments of the electron density distribution. This formally exact method may, however, suffer from certain approximations involved in its numerical implementation. As shown by the present study, with sufficiently large basis set of Gaussian functions, the Dirac values of these moments are fully recovered in spite of using the approximate identity resolution into eigenvectors of the p 2 operator.
International Nuclear Information System (INIS)
Guellenstern, S.
1991-09-01
Using the technique of Cherniak and Zhitnitzky we have calculated the wavefunctions of ρ(770) and Φ(1020) within the framework of QCD sum rules. Whereas the standard approach assumes light-like distances of the quarks (z 2 = 0), we also have taken into account higher order terms in z 2 . Thus, we obtained non-vanishing orbital angular momentum contributions. The first few moments of various invariant functions have been calculated with the help of an especially developed REDUCE program package. In zeroth order (z 2 = 0) our results of the reconstructed wavefunctions agree with those in the literature. However, we got first order contributions in z 2 of an amount of almost 10% of the corresponding zeroth order. (orig.)
DEFF Research Database (Denmark)
Kramer, Morten; Brorsen, Michael; Frigaard, Peter
Nærværende rapport beskriver numeriske beregninger af den hydrodynamiske interaktion mellem 5 flydere i bølgeenergianlægget Wave Star.......Nærværende rapport beskriver numeriske beregninger af den hydrodynamiske interaktion mellem 5 flydere i bølgeenergianlægget Wave Star....
Brooks, Simon P; Coccia, Margherita; Tang, Hao R; Kanuga, Naheed; Machesky, Laura M; Bailly, Maryse; Cheetham, Michael E; Hardcastle, Alison J
2010-06-15
Nance-Horan syndrome (NHS) is an X-linked developmental disorder, characterized by bilateral congenital cataracts, dental anomalies, facial dysmorphism and mental retardation. Null mutations in a novel gene, NHS, cause the syndrome. The NHS gene appears to have multiple isoforms as a result of alternative transcription, but a cellular function for the NHS protein has yet to be defined. We describe NHS as a founder member of a new protein family (NHS, NHSL1 and NHSL2). Here, we demonstrate that NHS is a novel regulator of actin remodelling and cell morphology. NHS localizes to sites of cell-cell contact, the leading edge of lamellipodia and focal adhesions. The N-terminus of isoforms NHS-A and NHS-1A, implicated in the pathogenesis of NHS, have a functional WAVE homology domain that interacts with the Abi protein family, haematopoietic stem/progenitor cell protein 300 (HSPC300), Nap1 and Sra1. NHS knockdown resulted in the disruption of the actin cytoskeleton. We show that NHS controls cell morphology by maintaining the integrity of the circumferential actin ring and controlling lamellipod formation. NHS knockdown led to a striking increase in cell spreading. Conversely, ectopic overexpression of NHS inhibited lamellipod formation. Remodelling of the actin cytoskeleton and localized actin polymerization into branched actin filaments at the plasma membrane are essential for mediating changes in cell shape, migration and cell contact. Our data identify NHS as a new regulator of actin remodelling. We suggest that NHS orchestrates actin regulatory protein function in response to signalling events during development.
International Nuclear Information System (INIS)
Brodin, G.; Stenflo, L.
2017-01-01
Considering a class of solutions where the density perturbations are functions of time, but not of space, we derive a new exact large amplitude wave solution for a cold uniform electron plasma. This result illustrates that most simple analytical solutions can appear even if the density perturbations are large. - Highlights: • The influence of large amplitude electromagnetic waves on electrostatic oscillations is found. • A generalized Mathieu equation is derived. • Anharmonic wave profiles are computed numerically.
Energy Technology Data Exchange (ETDEWEB)
Brodin, G., E-mail: gert.brodin@physics.umu.se [Department of Physics, Umeå University, SE-901 87 Umeå (Sweden); Stenflo, L. [Department of Physics, Linköping University, SE-581 83 Linköping (Sweden)
2017-03-18
Considering a class of solutions where the density perturbations are functions of time, but not of space, we derive a new exact large amplitude wave solution for a cold uniform electron plasma. This result illustrates that most simple analytical solutions can appear even if the density perturbations are large. - Highlights: • The influence of large amplitude electromagnetic waves on electrostatic oscillations is found. • A generalized Mathieu equation is derived. • Anharmonic wave profiles are computed numerically.
Exact travelling wave solutions for the generalized shallow water wave equation
International Nuclear Information System (INIS)
Elwakil, S.A.; El-labany, S.K.; Zahran, M.A.; Sabry, R.
2003-01-01
Using homogeneous balance method an auto-Baecklund transformation for the generalized shallow water wave equation is obtained. Then solitary wave solutions are found. Also, modified extended tanh-function method is applied and new exact travelling wave solutions are obtained. The obtained solutions include rational, periodical, singular and solitary wave solutions
Exact travelling wave solutions for the generalized shallow water wave equation
Energy Technology Data Exchange (ETDEWEB)
Elwakil, S.A.; El-labany, S.K.; Zahran, M.A.; Sabry, R
2003-07-01
Using homogeneous balance method an auto-Baecklund transformation for the generalized shallow water wave equation is obtained. Then solitary wave solutions are found. Also, modified extended tanh-function method is applied and new exact travelling wave solutions are obtained. The obtained solutions include rational, periodical, singular and solitary wave solutions.
DEFF Research Database (Denmark)
Tedd, James; Kofoed, Jens Peter; Knapp, W.
2006-01-01
power of the device. The project development team has gained much soft experience from working in the harsh offshore environment. In particular the effect of marine growth in the draft tubes of the turbines has been investigated. The control of the device has been a focus for development as is operates......Wave Dragon is a floating wave energy converter working by extracting energy principally by means of overtopping of waves into a reservoir. A 1:4.5 scale prototype has been sea tested for 20 months. This paper presents results from testing, experiences gained and developments made during...
New exact travelling wave solutions of bidirectional wave equations
Indian Academy of Sciences (India)
where , , and d are real constants. In general, the exact travelling wave solutions will be helpful in the theoretical and numerical study of the nonlinear evolution systems. In this paper, we obtain exact travelling wave solutions of system (1) using the modiﬁed tanh–coth function method with computerized symbolic ...
DEFF Research Database (Denmark)
Jensen, J.; Houmann, Jens Christian Gylden; Bjerrum Møller, Hans
1975-01-01
with increasing temperatures implies that the two-ion coupling is effectively isotropic above ∼ 150 K. We present arguments for concluding that, among the mechanisms which may introduce anisotropic two-ion couplings in the rare-earth metals, the modification of the indirect exchange interaction by the spin......The energies of spin waves propagating in the c direction of Tb have been studied by inelastic neutron scattering, as a function of a magnetic field applied along the easy and hard directions in the basal plane, and as a function of temperature. From a general spin Hamiltonian, consistent...... with the symmetry, we deduce the dispersion relation for the spin waves in a basal-plane ferromagnet. This phenomenological spin-wave theory accounts for the observed behavior of the magnon energies in Tb. The two q⃗-dependent Bogoliubov components of the magnon energies are derived from the experimental results...
... quickly. - Drink plenty of water regularly and often. - Eat small meals and eat more often. - Avoid using salt tablets ... plenty of water during a heat wave and eat smaller, more frequent meals. Text from "Are You Prepared?" by the Cass ( ...
Efficient Wave Energy Amplification with Wave Reflectors
DEFF Research Database (Denmark)
Kramer, Morten Mejlhede; Frigaard, Peter Bak
2002-01-01
Wave Energy Converters (WEC's) extract wave energy from a limited area, often a single point or line even though the wave energy is generally spread out along the wave crest. By the use of wave reflectors (reflecting walls) the wave energy is effectively focused and increased to approximately 130...... for different geometries of the wave reflectors and optimal geometrical design parameters are specified. On this basis inventors of WEC's can evaluate whether a specific WEC possible could benefit from wave reflectors....
Directory of Open Access Journals (Sweden)
Ashraf Abdelaal Mohamed Abdelaal
2016-12-01
Full Text Available Background: Diabetic peripheral polyneuropathy (DPN is an arousing problem that negatively affects body systems. Pulsed low frequency electromagnetic field (PLFEM and Extracorporeal shock waves (ESW are therapeutic modalities frequently used to treat varieties of pathological conditions. Objective of the study was to evaluate and compare effects of PLFEM and ESW on feet blood flow (maximum skin blood perfusion (SBP-max, minimum skin blood perfusion (SBP-min, and basal mean perfusion changes (BMCP (by Laser Doppler and functional balance (by Berg balance scale "BBS" in patients with DPN. Methods: Seventy patients with DPN were randomly assigned into PLFEM, ESW and control groups. PLFEMgroup received treatment twice weekly while ESW received treatment once weekly, for 12 weeks. Variables were evaluated prestudy (evaluation-1, post-study (evaluation-2 and 4-weeks post-treatment cessation (evaluation-3. Results: At evaluation-2 and 3; SBP-max, SBP-min, BMCP and BBS showed significant increase in both PLFEM and ESWgroups (P 0.5. At evaluation-2; SBPmax, SBP-min, BMCP and BBS mean values and percentages of change were [27.21±4.27(23.27 %, 10.51±2.32(50.004%, 16.15±2.22(24.45 %, 43.18±2.95(33.01 %], [24.74±3.33(10.62 %, 8.69±2.58(21.15 %, 14.48±2.35(11.66 %, 40.13±3.52(23.12 %] and [22.12(-0.05 %, 7.196(-0.1 %, 13.06±2.38(-0.09, 32.76(-0.1 %] for LFPEM, ESW and control groups respectively (P<0.05. Conclusion: While both PLFEM and ESW have significant long-term effects in improving lower extremity blood flow and functional balance in patients with DPN, but still PLFEM is more effective than ESW.
DEFF Research Database (Denmark)
Kramer, Morten; Frigaard, Peter
Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Byggeri og Anlæg med bølgeenergianlæget Wave Star.......Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Byggeri og Anlæg med bølgeenergianlæget Wave Star....
DEFF Research Database (Denmark)
Kramer, Morten; Andersen, Thomas Lykke
Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Vand, Jord og Miljøteknik med bølgeenergianlægget Wave Star.......Nærværende rapport beskriver modelforsøg udført på Aalborg Universitet, Institut for Vand, Jord og Miljøteknik med bølgeenergianlægget Wave Star....
Directional wave measurements and modelling
Digital Repository Service at National Institute of Oceanography (India)
Anand, N.M.; Nayak, B.U.; Bhat, S.S.; SanilKumar, V.
-dimensional spectra and sech@u2@@ (beta theta) spreading function seem to provide a better estimate of the directional energy distribution for the monsoon conditions. While non-linear wave-wave interaction seems to be the major governing factor in the directional...
Needham, Charles E
2010-01-01
The primary purpose of this text is to document many of the lessons that have been learned during the author’s more than forty years in the field of blast and shock. The writing therefore takes on an historical perspective, in some sense, because it follows the author’s experience. The book deals with blast waves propagating in fluids or materials that can be treated as fluids. It begins by distinguishing between blast waves and the more general category of shock waves. It then examines several ways of generating blast waves, considering the propagation of blast waves in one, two and three dimensions as well as through the real atmosphere. One section treats the propagation of shocks in layered gases in a more detailed manner. The book also details the interaction of shock waves with structures in particular reflections, progressing from simple to complex geometries, including planar structures, two-dimensional structures such as ramps or wedges, reflections from heights of burst, and three-dimensional st...
Skeletonized wave equation of surface wave dispersion inversion
Li, Jing
2016-09-06
We present the theory for wave equation inversion of dispersion curves, where the misfit function is the sum of the squared differences between the wavenumbers along the predicted and observed dispersion curves. Similar to wave-equation travel-time inversion, the complicated surface-wave arrivals in traces are skeletonized as simpler data, namely the picked dispersion curves in the (kx,ω) domain. Solutions to the elastic wave equation and an iterative optimization method are then used to invert these curves for 2D or 3D velocity models. This procedure, denoted as wave equation dispersion inversion (WD), does not require the assumption of a layered model and is less prone to the cycle skipping problems of full waveform inversion (FWI). The synthetic and field data examples demonstrate that WD can accurately reconstruct the S-wave velocity distribution in laterally heterogeneous media.
4-wave dynamics in kinetic wave turbulence
Chibbaro, Sergio; Dematteis, Giovanni; Rondoni, Lamberto
2018-01-01
A general Hamiltonian wave system with quartic resonances is considered, in the standard kinetic limit of a continuum of weakly interacting dispersive waves with random phases. The evolution equation for the multimode characteristic function Z is obtained within an ;interaction representation; and a perturbation expansion in the small nonlinearity parameter. A frequency renormalization is performed to remove linear terms that do not appear in the 3-wave case. Feynman-Wyld diagrams are used to average over phases, leading to a first order differential evolution equation for Z. A hierarchy of equations, analogous to the Boltzmann hierarchy for low density gases is derived, which preserves in time the property of random phases and amplitudes. This amounts to a general formalism for both the N-mode and the 1-mode PDF equations for 4-wave turbulent systems, suitable for numerical simulations and for investigating intermittency. Some of the main results which are developed here in detail have been tested numerically in a recent work.
DEFF Research Database (Denmark)
Frigaard, Peter; Høgedal, Michael; Christensen, Morten
The intention of this manual is to provide some formulas and techniques which can be used for generating waves in hydraulic laboratories. Both long crested waves (2-D waves) and short crested waves (3-D waves) are considered.......The intention of this manual is to provide some formulas and techniques which can be used for generating waves in hydraulic laboratories. Both long crested waves (2-D waves) and short crested waves (3-D waves) are considered....
Metamaterials and wave control
Lheurette, Eric
2013-01-01
Since the concept was first proposed at the end of the 20th Century, metamaterials have been the subject of much research and discussion throughout the wave community. More than 10 years later, the number of related published articles is increasing significantly. Onthe one hand, this success can be attributed to dreams of new physical objects which are the consequences of the singular properties of metamaterials. Among them, we can consider the examples of perfect lensing and invisibility cloaking. On other hand,metamaterials also provide new tools for the design of well-known wave functions s
Ferenczy, György G
2013-04-05
The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.
Directory of Open Access Journals (Sweden)
Seham Ragab
2015-08-01
Full Text Available Background: Cardiac iron toxicity is the leading cause of death among β-halassaemia major (TM patients. Once heart failure becomes overt , it will be difficult to reverse . Objectives: To investigate non overt cardiac dysfunctions in TM patients using pulsed wave Tissue Doppler Imaging (TD I and its relation to the iron overload and brain natruritic peptide (BNP. Methods: Thorough clinical , conventional echo and pulsed wave TDI parameters were compared between asymtomatic 25 β-TM patients and 20 age and gender matched individuals. Serum ferritin and plasma BNP levels were assayed by ELISA . Results: TM patients had significant higher mitral inflow early diastolic (E wave and non significant other conventional echo parameters. Pulsed wave TDI revealed systolic and diastolic dysfunctions in the form of significant higher isovolumetric contraction time (ICT , ejection time ( E T and isovolumetric relaxation time (IRT with significantly lower mitral annulus early diastolic velocity E` (12.07 ±2.06 vs 15.04±2.65 ,P= 0.003 in patients compared to controls. Plasma BNP was higher in patients compared to the controls. Plasma BNP and serum ferritin had significant correlation with each other and with pulsed wave conventional and TDI indices of systolic and diastolic functions. Patients with E/E` ≥ 8 had significant higher serum ferritin and plasma BNP levels compared to those with E/E` ratio < 8 without difference in Hb levels .Conclusion: Pulsed wave TDI is an important diagnostic tool for latent cardiac dysfunction in iron loaded TM patients and is related to iron overload and BNP .
Indian Academy of Sciences (India)
IAS Admin
plitude waves and finite amplitude waves. This article provides a brief introduction to finite amplitude wave theories. Some of the general characteristics of waves as well as the importance of finite amplitude wave theories are touched upon. 2. Small Amplitude Waves. The topmost and the lowest levels of the waves are re-.
Water Waves The Mathematical Theory with Applications
Stoker, J J
2011-01-01
Offers an integrated account of the mathematical hypothesis of wave motion in liquids with a free surface, subjected to gravitational and other forces. Uses both potential and linear wave equation theories, together with applications such as the Laplace and Fourier transform methods, conformal mapping and complex variable techniques in general or integral equations, methods employing a Green's function. Coverage includes fundamental hydrodynamics, waves on sloping beaches, problems involving waves in shallow water, the motion of ships and much more.
Wave-equation dispersion inversion
Li, Jing
2016-12-08
We present the theory for wave-equation inversion of dispersion curves, where the misfit function is the sum of the squared differences between the wavenumbers along the predicted and observed dispersion curves. The dispersion curves are obtained from Rayleigh waves recorded by vertical-component geophones. Similar to wave-equation traveltime tomography, the complicated surface wave arrivals in traces are skeletonized as simpler data, namely the picked dispersion curves in the phase-velocity and frequency domains. Solutions to the elastic wave equation and an iterative optimization method are then used to invert these curves for 2-D or 3-D S-wave velocity models. This procedure, denoted as wave-equation dispersion inversion (WD), does not require the assumption of a layered model and is significantly less prone to the cycle-skipping problems of full waveform inversion. The synthetic and field data examples demonstrate that WD can approximately reconstruct the S-wave velocity distributions in laterally heterogeneous media if the dispersion curves can be identified and picked. The WD method is easily extended to anisotropic data and the inversion of dispersion curves associated with Love waves.
de Araújo, W. R. B.; de Melo, J. P. B. C.; Tsushima, K.
2018-02-01
We study the nucleon electromagnetic (EM) form factors in symmetric nuclear matter as well as in vacuum within a light-front approach using the in-medium inputs calculated by the quark-meson coupling model. The same in-medium quark properties are used as those used for the study of in-medium pion properties. The zero of the proton EM form factor ratio in vacuum, the electric to magnetic form factor ratio μpGEp (Q2) /GMp (Q2) (Q2 = -q2 > 0 with q being the four-momentum transfer), is determined including the latest experimental data by implementing a hard constituent quark component in the nucleon wave function. A reasonable fit is achieved for the ratio μpGEp (Q2) /GMp (Q2) in vacuum, and we predict that the Q02 value to cross the zero of the ratio to be about 15 GeV2. In addition the double ratio data of the proton EM form factors in 4He and H nuclei, [GEp4He (Q2) /G4HeMp (Q2) ] / [GEp1H (Q2) /GMp1H (Q2) ], extracted by the polarized (e → ,e‧ p →) scattering experiment on 4He at JLab, are well described. We also predict that the Q02 value satisfying μpGEp (Q02) /GMp (Q0 2) = 0 in symmetric nuclear matter, shifts to a smaller value as increasing nuclear matter density, which reflects the facts that the faster falloff of GEp (Q2) as increasing Q2 and the increase of the proton mean-square charge radius. Furthermore, we calculate the neutron EM form factor double ratio in symmetric nuclear matter for 0.1
Wave calculus based upon wave logic
International Nuclear Information System (INIS)
Orlov, Y.F.
1978-01-01
A number operator has been introduced based upon the binary (p-nary) presentation of numbers. This operator acts upon a numerical state vector. Generally the numerical state vector describes numbers that are not precise but smeared in a quantum sense. These states are interrupted in wave logic terms, according to which concepts may exist within the inner language of a phenomenon that in principle cannot be translated into the language of the investigator. In particular, states may exist where mean values of a quantity, continuous in classical limits, take only discrete values. Operators for differentiation and integration of operator functions are defined, which take the usual form in the classical limit. (author)
Tropical Cyclogenesis in a Tropical Wave Critical Layer: Easterly Waves
Dunkerton, T. J.; Montgomery, M. T.; Wang, Z.
2009-01-01
The development of tropical depressions within tropical waves over the Atlantic and eastern Pacific is usually preceded by a "surface low along the wave" as if to suggest a hybrid wave-vortex structure in which flow streamlines not only undulate with the waves, but form a closed circulation in the lower troposphere surrounding the low. This structure, equatorward of the easterly jet axis, is identified herein as the familiar critical layer of waves in shear flow, a flow configuration which arguably provides the simplest conceptual framework for tropical cyclogenesis resulting from tropical waves, their interaction with the mean flow, and with diabatic processes associated with deep moist convection. The recirculating Kelvin cat's eye within the critical layer represents a sweet spot for tropical cyclogenesis in which a proto-vortex may form and grow within its parent wave. A common location for storm development is given by the intersection of the wave's critical latitude and trough axis at the center of the cat's eye, with analyzed vorticity centroid nearby. The wave and vortex live together for a time, and initially propagate at approximately the same speed. In most cases this coupled propagation continues for a few days after a tropical depression is identified. For easterly waves, as the name suggests, the propagation is westward. It is shown that in order to visualize optimally the associated Lagrangian motions, one should view the flow streamlines, or stream function, in a frame of reference translating horizontally with the phase propagation of the parent wave. In this co-moving frame, streamlines are approximately equivalent to particle trajectories. The closed circulation is quasi-stationary, and a dividing streamline separates air within the cat's eye from air outside.
Impact of Wave Dragon on Wave Climate
DEFF Research Database (Denmark)
Andersen, Thomas Lykke; Tedd, James; Kramer, Morten
This report is an advisory paper for use in determining the wave dragon effects on hydrography, by considering the effect on the wave climate in the region of a wave dragon. This is to be used in the impact assessment for the Wave Dragon pre-commercial demonstrator.......This report is an advisory paper for use in determining the wave dragon effects on hydrography, by considering the effect on the wave climate in the region of a wave dragon. This is to be used in the impact assessment for the Wave Dragon pre-commercial demonstrator....
Ciufolini, I; Moschella, U; Fre, P
2001-01-01
Gravitational waves (GWs) are a hot topic and promise to play a central role in astrophysics, cosmology, and theoretical physics. Technological developments have led us to the brink of their direct observation, which could become a reality in the coming years. The direct observation of GWs will open an entirely new field: GW astronomy. This is expected to bring a revolution in our knowledge of the universe by allowing the observation of previously unseen phenomena, such as the coalescence of compact objects (neutron stars and black holes), the fall of stars into supermassive black holes, stellar core collapses, big-bang relics, and the new and unexpected.With a wide range of contributions by leading scientists in the field, Gravitational Waves covers topics such as the basics of GWs, various advanced topics, GW detectors, astrophysics of GW sources, numerical applications, and several recent theoretical developments. The material is written at a level suitable for postgraduate students entering the field.
DEFF Research Database (Denmark)
Kramer, Morten; Frigaard, Peter; Brorsen, Michael
Nærværende rapport beskriver foreløbige hovedkonklusioner på modelforsøg udført på Aalborg Universitet, Institut for Vand, Jord og Miljøteknik med bølgeenergianlægget Wave Star i perioden 13/9 2004 til 12/11 2004.......Nærværende rapport beskriver foreløbige hovedkonklusioner på modelforsøg udført på Aalborg Universitet, Institut for Vand, Jord og Miljøteknik med bølgeenergianlægget Wave Star i perioden 13/9 2004 til 12/11 2004....
Jiang, Z
2005-01-01
The International Symposium on Shock Waves (ISSW) is a well established series of conferences held every two years in a different location. A unique feature of the ISSW is the emphasis on bridging the gap between physicists and engineers working in fields as different as gas dynamics, fluid mechanics and materials sciences. The main results presented at these meetings constitute valuable proceedings that offer anyone working in this field an authoritative and comprehensive source of reference.
Ferrarese, Giorgio
2011-01-01
Lectures: A. Jeffrey: Lectures on nonlinear wave propagation.- Y. Choquet-Bruhat: Ondes asymptotiques.- G. Boillat: Urti.- Seminars: D. Graffi: Sulla teoria dell'ottica non-lineare.- G. Grioli: Sulla propagazione del calore nei mezzi continui.- T. Manacorda: Onde nei solidi con vincoli interni.- T. Ruggeri: "Entropy principle" and main field for a non linear covariant system.- B. Straughan: Singular surfaces in dipolar materials and possible consequences for continuum mechanics
Projector augmented wave method: ab initio molecular dynamics ...
Indian Academy of Sciences (India)
Unknown
The projector augmented wave method is an all-electron method for efficient ab initio molecular dynamics simulations with full wave functions. .... In that case the muffin–tin approximation is used solely to define the basis set. ..... functions probe the local character of the auxiliary wave function in the atomic region. Examples ...
DEFF Research Database (Denmark)
Buxens Azcoaga, Alvaro Juan; Poulsen, Henrik Nørskov; Clausen, Anders
2000-01-01
The authors report simultaneous demultiplexing and wavelength conversion of two 10Gbit/s channels from a 40Gbit/s OTDM signal using bidirectional four wave mixing in a single semiconductor optical amplifier. Simultaneous demultiplexing and clearing of a 10Gbit/s channel from the 40Gbit/s OTDM dat...
Attosecond electron wave packet interferometry
International Nuclear Information System (INIS)
Remetter, T.; Ruchon, T.; Johnsson, P.; Varju, K.; Gustafsson, E.
2006-01-01
Complete test of publication follows. The well controlled generation and characterization of attosecond XUV light pulses provide an unprecedented tool to study electron wave packets (EWPs). Here a train of attosecond pulses is used to create and study the phase of an EWP in momentum space. There is a clear analogy between electronic wave functions and optical fields. In optics, methods like SPIDER or wave front shearing interferometry, allow to measure the spectral or spatial phase of a light wave. These two methods are based on the same principle: an interferogram is produced when recombining two sheared replica of a light pulse, spectrally (SPIDER) or spatially (wave front shearing interferometry). This enables the comparison of two neighbouring different spectral or spatial slices of the original wave packet. In the experiment, a train of attosecond pulses is focused in an Argon atomic gas jet. EWPs are produced from the single XUV photon ionization of Argon atoms. If an IR beam is synchronized to the EWPs, it is possible to introduce a shear in momentum space between two consecutive s wave packets. A Velocity Map Imaging Spectrometer (VMIS) enables us to detect the interference pattern. An analysis of the interferograms will be presented leading to a conclusion about the symmetry of the studied wave packet.
Freak waves in Saturn's magnetosphere
Sabry, R.
2015-01-01
Properties of planar as well as nonplanar ion acoustic freak waves that propagate in a plasma composed of warm ions and two-temperature electron plasma having kappa-distribution are reported. The dynamics of the nonlinear freak waves is governed by a modified nonlinear Schrödinger equation. The possible region for the freak waves to exist is defined precisely for typical parameters of Saturn's magnetosphere. For planar case, stability/instability analyses reveals that there is a critical value ( f cr ) of f (i.e., the equilibrium density ratio of the hot-to-cold electron species) exists for low wave number k. For large wave number k, the stability domain is always a decreasing function in f. Low κ values, which indicate that an excess of suprathermal particles in the tail of the distribution, shifts f cr to higher values. Also, there exists a modulation instability period for the cylindrical and spherical envelope excitations, which does not exist in the one-dimensional case. Furthermore, cylindrical and spherical freak waves are investigated numerically. Spherical ion-acoustic freak waves are found to grow faster than the cylindrical waves.
International Nuclear Information System (INIS)
Yuste, Santos Bravo; Abad, Enrique
2011-01-01
We present an iterative method to obtain approximations to Bessel functions of the first kind J p (x) (p > -1) via the repeated application of an integral operator to an initial seed function f 0 (x). The class of seed functions f 0 (x) leading to sets of increasingly accurate approximations f n (x) is considerably large and includes any polynomial. When the operator is applied once to a polynomial of degree s, it yields a polynomial of degree s + 2, and so the iteration of this operator generates sets of increasingly better polynomial approximations of increasing degree. We focus on the set of polynomial approximations generated from the seed function f 0 (x) = 1. This set of polynomials is useful not only for the computation of J p (x) but also from a physical point of view, as it describes the long-time decay modes of certain fractional diffusion and diffusion-wave problems.
Linear superposition solutions to nonlinear wave equations
International Nuclear Information System (INIS)
Liu Yu
2012-01-01
The solutions to a linear wave equation can satisfy the principle of superposition, i.e., the linear superposition of two or more known solutions is still a solution of the linear wave equation. We show in this article that many nonlinear wave equations possess exact traveling wave solutions involving hyperbolic, triangle, and exponential functions, and the suitable linear combinations of these known solutions can also constitute linear superposition solutions to some nonlinear wave equations with special structural characteristics. The linear superposition solutions to the generalized KdV equation K(2,2,1), the Oliver water wave equation, and the k(n, n) equation are given. The structure characteristic of the nonlinear wave equations having linear superposition solutions is analyzed, and the reason why the solutions with the forms of hyperbolic, triangle, and exponential functions can form the linear superposition solutions is also discussed
Energy Technology Data Exchange (ETDEWEB)
Menikoff, Ralph [Los Alamos National Laboratory
2012-04-03
Shock initiation in a plastic-bonded explosives (PBX) is due to hot spots. Current reactive burn models are based, at least heuristically, on the ignition and growth concept. The ignition phase occurs when a small localized region of high temperature (or hot spot) burns on a fast time scale. This is followed by a growth phase in which a reactive front spreads out from the hot spot. Propagating reactive fronts are deflagration waves. A key question is the deflagration speed in a PBX compressed and heated by a shock wave that generated the hot spot. Here, the ODEs for a steady deflagration wave profile in a compressible fluid are derived, along with the needed thermodynamic quantities of realistic equations of state corresponding to the reactants and products of a PBX. The properties of the wave profile equations are analyzed and an algorithm is derived for computing the deflagration speed. As an illustrative example, the algorithm is applied to compute the deflagration speed in shock compressed PBX 9501 as a function of shock pressure. The calculated deflagration speed, even at the CJ pressure, is low compared to the detonation speed. The implication of this are briefly discussed.
Wave Physics Oscillations - Solitons - Chaos
Nettel, Stephen
2009-01-01
This textbook is intended for those second year undergraduates in science and engineering who will later need an understanding of electromagnetic theory and quantum mechanics. The classical physics of oscillations and waves is developed at a more advanced level than has been customary for the second year, providing a basis for the quantum mechanics that follows. In this new edition the Green's function is explained, reinforcing the integration of quantum mechanics with classical physics. The text may also form the basis of an "introduction to theoretical physics" for physics majors. The concluding chapters give special attention to topics in current wave physics: nonlinear waves, solitons, and chaotic behavior.
Making Waves: Seismic Waves Activities and Demonstrations
Braile, S. J.; Braile, L. W.
2011-12-01
The nature and propagation of seismic waves are fundamental concepts necessary for understanding the exploration of Earth's interior structure and properties, plate tectonics, earthquakes, and seismic hazards. Investigating seismic waves is also an engaging approach to learning basic principles of the physics of waves and wave propagation. Several effective educational activities and demonstrations are available for teaching about seismic waves, including the stretching of a spring to demonstrate elasticity; slinky wave propagation activities for compressional, shear, Rayleigh and Love waves; the human wave activity to demonstrate P- and S- waves in solids and liquids; waves in water in a simple wave tank; seismic wave computer animations; simple shake table demonstrations of model building responses to seismic waves to illustrate earthquake damage to structures; processing and analysis of seismograms using free and easy to use software; and seismic wave simulation software for viewing wave propagation in a spherical Earth. The use of multiple methods for teaching about seismic waves is useful because it provides reinforcement of the fundamental concepts, is adaptable to variable classroom situations and diverse learning styles, and allows one or more methods to be used for authentic assessment. The methods described here have been used effectively with a broad range of audiences, including K-12 students and teachers, undergraduate students in introductory geosciences courses, and geosciences majors.
Galerkin finite element methods for wave problems
Indian Academy of Sciences (India)
piecewise linear and quadratic basis functions for solving the one-dimensional wave equation. 2. One-dimensional wave equation. First, we briefly discuss the Galerkin method that employs piecewise quadratic polynomials for the basis or interpolating functions. We will call this as G2FEM for ease of reference. Here, one ...
On Collisionless Damping of Ion Acoustic Waves
DEFF Research Database (Denmark)
Jensen, Vagn Orla; Petersen, P.I.
1973-01-01
Exact theoretical treatments show that the damping of ion acoustic waves in collisionless plasmas does not vanish when the derivative of the undisturbed distribution function at the phase velocity equals zero.......Exact theoretical treatments show that the damping of ion acoustic waves in collisionless plasmas does not vanish when the derivative of the undisturbed distribution function at the phase velocity equals zero....
Properties of information carrying waves in cosmology
International Nuclear Information System (INIS)
O'Shea, E.M.
2004-01-01
Recently we studied the effects of information carrying waves propagating through isotropic cosmologies. By information carrying we mean that the waves have an arbitrary dependence on a function. We found that the waves introduce shear and anisotropic stress into the universe. We then constructed explicit examples of pure gravity wave perturbations for which the presence of this anisotropic stress is essential and the null hypersurfaces playing the role of the histories of the wavefronts in the background space-time are shear free. Motivated by this result we now prove that these two properties are true for all information carrying waves in isotropic cosmologies
Chuluunbaatar, O.; Gusev, A. A.; Abrashkevich, A. G.; Amaya-Tapia, A.; Kaschiev, M. S.; Larsen, S. Y.; Vinitsky, S. I.
2007-10-01
A FORTRAN 77 program is presented which calculates energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on the finite interval with homogeneous boundary conditions of the third type. The resulting system of radial equations which contains the potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite-element method. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials. Program summaryProgram title: KANTBP Catalogue identifier: ADZH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 4224 No. of bytes in distributed program, including test data, etc.: 31 232 Distribution format: tar.gz Programming language: FORTRAN 77 Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IV Operating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XP RAM: depends on (a) the number of differential equations; (b) the number and order of finite-elements; (c) the number of hyperradial points; and (d) the number of eigensolutions required. Test run requires 30 MB Classification: 2.1, 2.4 External routines: GAULEG and GAUSSJ [W.H. Press, B.F. Flanery, S.A. Teukolsky, W.T. Vetterley, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986] Nature of problem: In the hyperspherical adiabatic
International Nuclear Information System (INIS)
Kalluri, D.K.
1996-01-01
The main effect of switching a medium (creating a temporal discontinuity in the properties of a medium) is the splitting of the source (incident) wave into new waves whose frequencies are different. Lightning induced effects in the ionosphere cause a temporary enhancement of ionization. Such transient plasmas have a time-varying plasma frequency ω p (t) with a rise time T r . If the period t 0 of a source wave existing before the transient effect begins is much larger than the rise time, the ionization change may be idealized as a sudden switching of the medium. The solution to this initial value problem with a step-change in the electron density profile is known and this profile will be considered as a reference profile. The topic of this paper is the solution of the initial value problem when t 0 is comparable to the rise time T r . The initial motivation for investigating the problem is given below. There is considerable interest in the ionospheric physics community to investigate the recently discovered Sprites phenomenon which are red emissions in the lower D region induced by the lightning discharges from a cloud to the ground. The preliminary indications are that the Sprite is a plasma with electron density enhanced by about 10 1 to 10 3 /cc in a rise time of about 100 micros
Franceschetti, Massimo
2017-01-01
Understand the relationship between information theory and the physics of wave propagation with this expert guide. Balancing fundamental theory with engineering applications, it describes the mechanism and limits for the representation and communication of information using electromagnetic waves. Information-theoretic laws relating functional approximation and quantum uncertainty principles to entropy, capacity, mutual information, rate distortion, and degrees of freedom of band-limited radiation are derived and explained. Both stochastic and deterministic approaches are explored, and applications for sensing and signal reconstruction, wireless communication, and networks of multiple transmitters and receivers are reviewed. With end-of-chapter exercises and suggestions for further reading enabling in-depth understanding of key concepts, it is the ideal resource for researchers and graduate students in electrical engineering, physics and applied mathematics looking for a fresh perspective on classical informat...
S-Band Doppler Wave Radar System
Directory of Open Access Journals (Sweden)
Zezong Chen
2017-12-01
Full Text Available In this paper, a novel shore-based S-band microwave Doppler coherent wave radar (Microwave Ocean Remote SEnsor (MORSE is designed to improve wave measurements. Marine radars, which operate in the X band, have been widely used for ocean monitoring because of their low cost, small size and flexibility. However, because of the non-coherent measurements and strong absorption of X-band radio waves by rain, these radar systems suffer considerable performance loss in moist weather. Furthermore, frequent calibrations to modify the modulation transfer function are required. To overcome these shortcomings, MORSE, which operates in the S band, was developed by Wuhan University. Because of the coherent measurements of this sensor, it is able to measure the radial velocity of water particles via the Doppler effect. Then the relation between the velocity spectrum and wave height spectrum can be used to obtain the wave height spectra. Finally, wave parameters are estimated from the wave height spectra by the spectrum moment method. Comparisons between MORSE and Waverider MKIII are conducted in this study, and the results, including the non-directional wave height spectra, significant wave height and average wave period, are calculated and displayed. The correlation coefficient of the significant wave height is larger than 0.9, whereas that of the average wave period is approximately 0.4, demonstrating the effectiveness of MORSE for the continuous monitoring of ocean areas with high accuracy.
Indian Academy of Sciences (India)
IAS Admin
are known as intermediate or transitional water waves and if the depth of the water column is less than 1/20 of wavelength, they are called shallow water waves. In the case of both these waves, the particle motion is elliptical. Particle motions are shown in Figure 1. The velocity of waves is generally referred to as wave.
Directory of Open Access Journals (Sweden)
J. OLIVER
1977-06-01
Full Text Available SUMMARY. - Seismic activity associated with the collision of the continental
part of the Australian plate with the oceanic Melanesian arcs along Papua New
Guinea and the Banda arc provides an unusual opportunity to study the relative
excitation of the seismic shear waves Sn and Lg. These waves are produced by
earthquakes located along the arcs in the upper 200 km of the earth and are
recorded by the Australian WWSSN Stations at Charters Towers (CTA and Alice
Springs (ASP. The paths to these stations are predominantly continental. The data
clearly show that for events located at crustal depths, Lg is the predominant phase
on the records and Sn is either absent or very weak. For events deeper than about
50-70 km, Sn becomes the predominant phase on the records. These observations
arc in qualitative agreement with the explanations of Sn and Lg as higher
modes of surface waves, for the particle displacement amplitudes are maximum
within the crust for Lg and maximum within the lid of the lithospheric mantle
for Sn. The data suggest that either the crustal wave guide for Lg is more
efficient than that for Sn, or that Lg is more easily excited than Sn. No clear
Lg is observed from shallow earthquakes when the length of the segment of the
path crossing oceanic structure is greater than about 200 km. Also, widespread
Quaternary volcanism within the « stable » area of central Papua New Guinea
to the south of the mobile belt does not seem to affect the efficient transmission
of high-frequency (1 Hz shear energy.
The paths from events located along the New Hebrides, Solomon, and New
Britain arcs to Australia traverse oceanic structure, and no Lg is observed from
these paths. The inefficient propagation of Sn along these paths from both
shallow and intermediate-depth events can be explained as follows: 1 For
the New Hebrides case, the
Alfianto, E.; Rusydi, F.; Aisyah, N. D.; Fadilla, R. N.; Dipojono, H. K.; Martoprawiro, M. A.
2017-05-01
This study implemented DFT method into the C++ programming language with object-oriented programming rules (expressive software). The use of expressive software results in getting a simple programming structure, which is similar to mathematical formula. This will facilitate the scientific community to develop the software. We validate our software by calculating the energy band structure of Silica, Carbon, and Germanium with FCC structure using the Projector Augmented Wave (PAW) method then compare the results to Quantum Espresso calculation’s results. This study shows that the accuracy of the software is 85% compared to Quantum Espresso.
Internal Wave Generation by Convection
Lecoanet, Daniel Michael
internal gravity wave spectrum, using the Lighthill theory of wave excitation by turbulence. We use a Green's function approach, in which we convolve a convective source term with the Green's function of different internal gravity waves. The remainder of the thesis is a circuitous attempt to verify these analytical predictions. I test the predictions of Chapter 2 via numerical simulation. The first step is to identify a code suitable for this study. I helped develop the Dedalus code framework to study internal wave generation by convection. Dedalus can solve many different partial differential equations using the pseudo-spectral numerical method. In Chapter 3, I demonstrate Dedalus' ability to solve different equations used to model convection in astrophysics. I consider both the propagation and damping of internal waves, and the properties of low Rayleigh number convective steady states, in six different equation sets used in the astrophysics literature. This shows that Dedalus can be used to solve the equations of interest. Next, in Chapter 4, I verify the high accuracy of Dedalus by comparing it to the popular astrophysics code Athena in a standard Kelvin-Helmholtz instability test problem. Dedalus performs admirably in comparison to Athena, and provides a high standard for other codes solving the fully compressible Navier-Stokes equations. Chapter 5 demonstrates that Dedalus can simulate convective adjacent to a stably stratified region, by studying convective mixing near carbon flames. The convective overshoot and mixing is well-resolved, and is able to generate internal waves. Confident in Dedalus' ability to study the problem at hand, Chapter 6 describes simulations inspired by water experiments of internal wave generation by convection. The experiments exploit water's unusual property that its density maximum is at 4°C, rather than at 0°C. We use a similar equation of state in Dedalus, and study internal gravity waves generation by convection in a water
Intrinsic cylindrical and spherical waves
International Nuclear Information System (INIS)
Ludlow, I K
2008-01-01
Intrinsic waveforms associated with cylindrical and spherical Bessel functions are obtained by eliminating the factors responsible for the inverse radius and inverse square radius laws of wave power per unit area of wavefront. The resulting expressions are Riccati-Bessel functions for both cases and these can be written in terms of amplitude and phase functions of order v and wave variable z. When z is real, it is shown that a spatial phase angle of the intrinsic wave can be defined and this, together with its amplitude function, is systematically investigated for a range of fixed orders and varying z. The derivatives of Riccati-Bessel functions are also examined. All the component functions exhibit different behaviour in the near field depending on the order being less than, equal to or greater than 1/2. Plots of the phase angle can be used to display the locations of the zeros of the general Riccati-Bessel functions and lead to new relations concerning the ordering of the real zeros of Bessel functions and the occurrence of multiple zeros when the argument of the Bessel function is fixed
Press, W. H.; Thorne, K. S.
1972-01-01
The significance of experimental evidence for gravitational waves is considered for astronomy. Properties, generation, and astrophysical sources of the waves are discussed. Gravitational wave receivers and antennas are described. A review of the Weber experiment is presented.
Tropical cyclogenesis in a tropical wave critical layer: easterly waves
Directory of Open Access Journals (Sweden)
T. J. Dunkerton
2009-08-01
Full Text Available The development of tropical depressions within tropical waves over the Atlantic and eastern Pacific is usually preceded by a "surface low along the wave" as if to suggest a hybrid wave-vortex structure in which flow streamlines not only undulate with the waves, but form a closed circulation in the lower troposphere surrounding the low. This structure, equatorward of the easterly jet axis, is identified herein as the familiar critical layer of waves in shear flow, a flow configuration which arguably provides the simplest conceptual framework for tropical cyclogenesis resulting from tropical waves, their interaction with the mean flow, and with diabatic processes associated with deep moist convection. The recirculating Kelvin cat's eye within the critical layer represents a sweet spot for tropical cyclogenesis in which a proto-vortex may form and grow within its parent wave. A common location for storm development is given by the intersection of the wave's critical latitude and trough axis at the center of the cat's eye, with analyzed vorticity centroid nearby. The wave and vortex live together for a time, and initially propagate at approximately the same speed. In most cases this coupled propagation continues for a few days after a tropical depression is identified. For easterly waves, as the name suggests, the propagation is westward. It is shown that in order to visualize optimally the associated Lagrangian motions, one should view the flow streamlines, or stream function, in a frame of reference translating horizontally with the phase propagation of the parent wave. In this co-moving frame, streamlines are approximately equivalent to particle trajectories. The closed circulation is quasi-stationary, and a dividing streamline separates air within the cat's eye from air outside. The critical layer equatorward of the easterly jet axis is important to tropical cyclogenesis because its cat's eye provides (i a region of
Radiation and propagation of electromagnetic waves
Tyras, George; Declaris, Nicholas
1969-01-01
Radiation and Propagation of Electromagnetic Waves serves as a text in electrical engineering or electrophysics. The book discusses the electromagnetic theory; plane electromagnetic waves in homogenous isotropic and anisotropic media; and plane electromagnetic waves in inhomogenous stratified media. The text also describes the spectral representation of elementary electromagnetic sources; the field of a dipole in a stratified medium; and radiation in anisotropic plasma. The properties and the procedures of Green's function method of solution, axial currents, as well as cylindrical boundaries a
Spin wave spectrum of magnetic nanotubes
International Nuclear Information System (INIS)
Gonzalez, A.L.; Landeros, P.; Nunez, Alvaro S.
2010-01-01
We investigate the spin wave spectra associated to a vortex domain wall confined within a ferromagnetic nanotube. Basing our study upon a simple model for the energy functional we obtain the dispersion relation, the density of states and dissipation induced life-times of the spin wave excitations in presence of a magnetic domain wall. Our aim is to capture the basics spin wave physics behind the geometrical confinement of nobel magnetic textures.
National Research Council Canada - National Science Library
Pritchard, David
1999-01-01
Matter wave interferometers, in which de Broglie waves are coherently split and then recombined to produce interference fringes, have opened exciting new possibilities for precision and fundamental...
Prostaglandin regulation of gastric slow waves and peristalsis
Forrest, Abigail S.; Hennig, Grant W.; Jokela-Willis, Sari; Park, Chong Doo; Sanders, Kenton M.
2009-01-01
Gastric emptying depends on functional coupling of slow waves between the corpus and antrum, to allow slow waves initiated in the gastric corpus to propagate to the pyloric sphincter and generate gastric peristalsis. Functional coupling depends on a frequency gradient where slow waves are generated at higher frequency in the corpus and drive the activity of distal pacemakers. Simultaneous intracellular recording from corpus and antrum was used to characterize the effects of PGE2 on slow waves...
Directory of Open Access Journals (Sweden)
L. Bressan
2016-01-01
reconstructed sea level (RSL, the background slope (BS and the control function (CF. These functions are examined through a traditional spectral fast Fourier transform (FFT analysis and also through a statistical analysis, showing that they can be characterised by probability distribution functions PDFs such as the Student's t distribution (IS and RSL and the beta distribution (CF. As an example, the method has been applied to data from the tide-gauge station of Siracusa, Italy.
Genomic Functionalization: The Next Revolution In Biology
Energy Technology Data Exchange (ETDEWEB)
Anderson, Peter [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Schoeniger, Joseph S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Imbro, Paula M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)
2014-07-01
We have implemented a ligand-alignment algorithm into our developed computational pipeline for identifying specificity-determining features (SDFs) in protein-ligand complexes. Given a set of protein-ligand complex structures, the algorithm aligns the complexes by ligand rather than by the C -RMSD or standard approach, providing a single reference frame for extracting SDFs. We anticipate that this ligand-alignment capability will be highly useful for protein function prediction. We already have a database containing > 20 K ligand-protein complex crystal structures taken from the Protein Data Bank. By aligning these proteins to single reference frames using ligand alignment, we can submit the complexes to our pipeline for SDF extraction. The SDFs derived from this training procedure can be used as thumbprints that are hallmarks of individual enzyme classes. These SDF thumbprints may then serve as guides to the prediction of function of new unknown proteins.
Full wave simulations of lower hybrid wave propagation in tokamaks
Wright, J. C.; Bonoli, P. T.; Phillips, C. K.; Valeo, E.; Harvey, R. W.
2009-11-01
Lower hybrid (LH) waves have the attractive property of damping strongly via electron Landau resonance on relatively fast tail electrons at (2.5-3)×vte, where vte ≡ (2Te/me)1/2 is the electron thermal speed. Consequently these waves are well-suited to driving current in the plasma periphery where the electron temperature is lower, making LH current drive (LHCD) a promising technique for off-axis (r/a⩾0.60) current profile control in reactor grade plasmas. Established techniques for computing wave propagation and absorption use WKB expansions with non-Maxwellian self-consistent distributions. In typical plasma conditions with electron densities of several 1019 m-3 and toroidal magnetic fields strengths of 4 Telsa, the perpendicular wavelength is of the order of 1 mm and the parallel wavelength is of the order of 1 cm. Even in a relatively small device such as Alcator C-Mod with a minor radius of 22 cm, the number of wavelengths that must be resolved requires large amounts of computational resources for the full wave treatment. These requirements are met with a massively parallel version of the TORIC full wave code that has been adapted specifically for the simulation of LH waves [J. C. Wright, et al., Commun. Comput. Phys., 4, 545 (2008), J. C. Wright, et al., Phys. Plasmas 16 July (2009)]. This model accurately represents the effects of focusing and diffraction that occur in LH propagation. It is also coupled with a Fokker-Planck solver, CQL3D, to provide self-consistent distribution functions for the plasma dielectric as well as a synthetic hard X-ray (HXR) diagnostic for direct comparisons with experimental measurements of LH waves. The wave solutions from the TORIC-LH zero FLR model will be compared to the results from ray tracing from the GENRAY/CQL3D code via the synthetic HXR diagnostic and power deposition.
Full wave simulations of lower hybrid wave propagation in tokamaks
International Nuclear Information System (INIS)
Wright, J. C.; Bonoli, P. T.; Phillips, C. K.; Valeo, E.; Harvey, R. W.
2009-01-01
Lower hybrid (LH) waves have the attractive property of damping strongly via electron Landau resonance on relatively fast tail electrons at (2.5-3)xv te , where v te ≡ (2T e /m e ) 1/2 is the electron thermal speed. Consequently these waves are well-suited to driving current in the plasma periphery where the electron temperature is lower, making LH current drive (LHCD) a promising technique for off-axis (r/a≥0.60) current profile control in reactor grade plasmas. Established techniques for computing wave propagation and absorption use WKB expansions with non-Maxwellian self-consistent distributions.In typical plasma conditions with electron densities of several 10 19 m -3 and toroidal magnetic fields strengths of 4 Telsa, the perpendicular wavelength is of the order of 1 mm and the parallel wavelength is of the order of 1 cm. Even in a relatively small device such as Alcator C-Mod with a minor radius of 22 cm, the number of wavelengths that must be resolved requires large amounts of computational resources for the full wave treatment. These requirements are met with a massively parallel version of the TORIC full wave code that has been adapted specifically for the simulation of LH waves [J. C. Wright, et al., Commun. Comput. Phys., 4, 545 (2008), J. C. Wright, et al., Phys. Plasmas 16 July (2009)]. This model accurately represents the effects of focusing and diffraction that occur in LH propagation. It is also coupled with a Fokker-Planck solver, CQL3D, to provide self-consistent distribution functions for the plasma dielectric as well as a synthetic hard X-ray (HXR) diagnostic for direct comparisons with experimental measurements of LH waves.The wave solutions from the TORIC-LH zero FLR model will be compared to the results from ray tracing from the GENRAY/CQL3D code via the synthetic HXR diagnostic and power deposition.
New exact travelling wave solutions of bidirectional wave equations
Indian Academy of Sciences (India)
finding travelling wave solutions to nonlinear evolution equations. However, practically there is no unified method that can be used to handle all types of nonlinearity. The tanh-function method is an effective and direct algebraic method for finding the exact solutions of nonlinear evolution problems [22,23]. The concept of ...
Measurements of Wave Power in Wave Energy Converter Effectiveness Evaluation
Directory of Open Access Journals (Sweden)
Berins J.
2017-08-01
Full Text Available The article is devoted to the technical solution of alternative budget measuring equipment of the water surface gravity wave oscillation and the theoretical justification of the calculated oscillation power. This solution combines technologies such as lasers, WEB-camera image digital processing, interpolation of defined function at irregular intervals, volatility of discrete Fourier transformation for calculating the spectrum.
Wave-particle dualism in matter wave interferometry
International Nuclear Information System (INIS)
Rauch, H.
1984-01-01
Neutron interferometry is a unique tool for investigations in the field of particle-wave dualism because massive elementary particles behave like waves within the interferometer. The invention of perfect crystal neutron interferometers providing widely separated coherent beams stimulated a great variety of experiments with matter waves in the field of basic quantum mechanics. The phase of the spatial and spinor wave function become a measurable quantity and can be influenced individually. High degrees of coherence and high order interferences have been observed by this technique. The 4π-symmetry of a spinor wave function and the mutual modulation of nuclear and magnetic phase shifts have been measured in the past. Recent experiments dealt with polarized neutron beams, which are handled to realize the spin-superposition of two oppositionally polarized subbeams resulting in final polarization perpendicular to both initial beam polarizations. The different action on the coherent beams of static and dynamic flippers have been visualized. Monolithic multicrystal arrangements in Laue position can also be used to achieve an extremely high energy (10 -9 eV) or angular resolution (0.001 sec of arc). This feature is based on the Pendelloesung interference within the perfect crystal. A transverse coherence length up to 6.5 mm is deduced from single slit diffraction experiments. (Auth.)
Memory effect for impulsive gravitational waves
Zhang, P.-M.; Duval, C.; Horvathy, P. A.
2018-03-01
Impulsive gravitational plane waves, which have a δ-function singularity on a hypersurface, can be obtained by squeezing smooth plane gravitational waves with a Gaussian profile. They exhibit (as do their smooth counterparts) the velocity memory effect: after the wave has passed, particles initially at rest move apart with non-vanishing constant transverse velocity. A new effect is that, unlike the smooth case, (i) the velocities of particles originally at rest jump, (ii) the spacetime trajectories become discontinuous along the (lightlike) propagation direction of the wave.
International Nuclear Information System (INIS)
Yan Zhenya
2010-01-01
We analytically give the financial rogue waves in the nonlinear option pricing model due to Ivancevic, which is nonlinear wave alternative of the Black-Scholes model. These rogue wave solutions may he used to describe the possible physical mechanisms for rogue wave phenomenon in financial markets and related fields.
Fuster, Andrea; Pabst, Cornelia
2016-11-01
In this work we present Finsler gravitational waves. These are a Finslerian version of the well-known p p -waves, generalizing the very special relativity line element. Our Finsler p p -waves are an exact solution of Finslerian Einstein's equations in vacuum and describe gravitational waves propagating in an anisotropic background.
Gerritsen, S.
2007-01-01
In this thesis we study wave propagation in inhomogeneous media. Examples of the classical (massless) waves we consider are acoustic waves (sound) and electromagnetic waves (light, for example). Interaction with inhomogeneities embedded in a reference medium alter the propagation direction, velocity
Digital Repository Service at National Institute of Oceanography (India)
Varkey, M.J.
Not all sea waves look alike in form. Scientists, in fact, classify all waves into definite groups, which can be simulated on a computer using specific models. Thus there are many types of wave forms on the sea surface like regular sinusoidal waves...
DEFF Research Database (Denmark)
Alikhani, Amir; Frigaard, Peter; Burcharth, Hans F.
1998-01-01
The data collected over the course of the experiment must be analysed and converted into a form suitable for its intended use. Type of analyses range from simple to sophisticated. Depending on the particular experiment and the needs of the researcher. In this study three main part of irregular wave...... data analyses are presented e.g. Time Domain (Statistical) Analyses, Frequency Domain (Spectral) Analyses and Wave Reflection Analyses. Random wave profile and definitions of representative waves, distributions of individual wave height and wave periods and spectra of sea waves are presented....
Traveling waves and conservation laws for highly nonlinear wave equations modeling Hertz chains
Przedborski, Michelle; Anco, Stephen C.
2017-09-01
A highly nonlinear, fourth-order wave equation that models the continuum theory of long wavelength pulses in weakly compressed, homogeneous, discrete chains with a general power-law contact interaction is studied. For this wave equation, all solitary wave solutions and all nonlinear periodic wave solutions, along with all conservation laws, are derived. The solutions are explicitly parameterized in terms of the asymptotic value of the wave amplitude in the case of solitary waves and the peak of the wave amplitude in the case of nonlinear periodic waves. All cases in which the solution expressions can be stated in an explicit analytic form using elementary functions are worked out. In these cases, explicit expressions for the total energy and total momentum for all solutions are obtained as well. The derivation of the solutions uses the conservation laws combined with an energy analysis argument to reduce the wave equation directly to a separable first-order differential equation that determines the wave amplitude in terms of the traveling wave variable. This method can be applied more generally to other highly nonlinear wave equations.
Wave Tank Studies of Strong Modulation of Wind Ripples Due To Long Waves
Ermakov, S.; Sergievskaya, I.; Shchegolkov, Yu.
Modulation of wind capillary-gravity ripples due to long waves has been studied in wave tank experiment at low wind speeds using Ka-band radar. The experiments were carried out both for clean water and the water surface covered with surfactant films. It is obtained that the modulation of radar signals is quite strong and can increase with surfactant concentration and fetch. It is shown that the hydrodynamic Modulation Transfer Function (MTF) calculated for free wind ripples and taking into account the kinematic (straining) effect, variations of the wind stress and variations of surfactant concentration strongly underestimates experimental MTF-values. The effect of strong modulation is assumed to be connected with nonlinear harmonics of longer dm-cm- scale waves - bound waves ("parasitic ripples"). The intensity of bound waves depends strongly on the amplitude of decimetre-scale waves, therefore even weak modulation of the dm-scale waves due to long waves results to strong ("cascade") modulation of bound waves. Modulation of the system of "free/bound waves" is estimated using results of wave tank studies of bound waves generation and is shown to be in quali- tative agreement with experiment. This work was supported by MOD, UK via DERA Winfrith (Project ISTC 1774P) and by RFBR (Project 02-05-65102).
Cetin, Nuri; Aytar, Aydan; Atalay, Ayce; Akman, Mahmut Nafiz
2008-06-01
To investigate the therapeutic effects of physical agents administered before isokinetic exercise in women with knee osteoarthritis. One hundred patients with bilateral knee osteoarthritis were randomized into five groups of 20 patients each: group 1 received short-wave diathermy + hot packs and isokinetic exercise; group 2 received transcutaneous electrical nerve stimulation + hot packs and isokinetic exercise; group 3 received ultrasound + hot packs and isokinetic exercise; group 4 received hot packs and isokinetic exercise; and group 5 served as controls and received only isokinetic exercise. Pain and disability index scores were significantly reduced in each group. Patients in the study groups had significantly greater reductions in their visual analog scale scores and scores on the Lequesne index than did patients in the control group (group 5). They also showed greater increases than did controls in muscular strength at all angular velocities. In most parameters, improvements were greatest in groups 1 and 2 compared with groups 3 and 4. Using physical agents before isokinetic exercises in women with knee osteoarthritis leads to augmented exercise performance, reduced pain, and improved function. Hot pack with a transcutaneous electrical nerve stimulator or short-wave diathermy has the best outcome.