WorldWideScience

Sample records for higher order anharmonic

  1. ANCA: Anharmonic Conformational Analysis of Biomolecular Simulations.

    Science.gov (United States)

    Parvatikar, Akash; Vacaliuc, Gabriel S; Ramanathan, Arvind; Chennubhotla, S Chakra

    2018-05-08

    Anharmonicity in time-dependent conformational fluctuations is noted to be a key feature of functional dynamics of biomolecules. Although anharmonic events are rare, long-timescale (μs-ms and beyond) simulations facilitate probing of such events. We have previously developed quasi-anharmonic analysis to resolve higher-order spatial correlations and characterize anharmonicity in biomolecular simulations. In this article, we have extended this toolbox to resolve higher-order temporal correlations and built a scalable Python package called anharmonic conformational analysis (ANCA). ANCA has modules to: 1) measure anharmonicity in the form of higher-order statistics and its variation as a function of time, 2) output a storyboard representation of the simulations to identify key anharmonic conformational events, and 3) identify putative anharmonic conformational substates and visualization of transitions between these substates. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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

    Science.gov (United States)

    Mauri, Francesco

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

  3. Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

    Energy Technology Data Exchange (ETDEWEB)

    Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

    2016-12-15

    High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

  4. Heat transport in an anharmonic crystal

    Science.gov (United States)

    Acharya, Shiladitya; Mukherjee, Krishnendu

    2018-04-01

    We study transport of heat in an ordered, anharmonic crystal in the form of slab geometry in three dimensions. Apart from attaching baths of Langevin type to two extreme surfaces, we also attach baths of same type to the intermediate surfaces of the slab. Since the crystal is uninsulated, it exchanges energy with the intermediate heat baths. We find that both Fourier’s law of heat conduction and the Newton’s law of cooling hold to leading order in anharmonic coupling. The leading behavior of the temperature profile is exponentially falling from high to low temperature surface of the slab. As the anharmonicity increases, profiles fall more below the harmonic one in the log plot. In the thermodynamic limit thermal conductivity remains independent of the environment temperature and its leading order anharmonic contribution is linearly proportional to the temperature change between the two extreme surfaces of the slab. A fast crossover from one-dimensional (1D) to three-dimensional (3D) behavior of the thermal conductivity is observed in the system.

  5. Neutron scattering by anharmonic crystals and the effect of sublattice displacements

    International Nuclear Information System (INIS)

    Viswanathan, K.S.; Phillip, Jacob

    1979-01-01

    A theory has been described for the scattering of neutrons by anharmonic crystals, for which terms of the type Vsup(3) (k 1 j 1 ;-k 1 j 1 ;aj) which contribute to the sublattice displacements are not neglected. It is shown that the sublattice displacements will modify the phase factor arising from the scattering by any atom in the unit cell, and the Debye-Waller factor also gets altered both by the sublattice displacements as well as by higher order terms arising from anharmonicity. (author)

  6. Numerical-analytic implementation of the higher-order canonical Van Vleck perturbation theory for the interpretation of medium-sized molecule vibrational spectra.

    Science.gov (United States)

    Krasnoshchekov, Sergey V; Isayeva, Elena V; Stepanov, Nikolay F

    2012-04-12

    Anharmonic vibrational states of semirigid polyatomic molecules are often studied using the second-order vibrational perturbation theory (VPT2). For efficient higher-order analysis, an approach based on the canonical Van Vleck perturbation theory (CVPT), the Watson Hamiltonian and operators of creation and annihilation of vibrational quanta is employed. This method allows analysis of the convergence of perturbation theory and solves a number of theoretical problems of VPT2, e.g., yields anharmonic constants y(ijk), z(ijkl), and allows the reliable evaluation of vibrational IR and Raman anharmonic intensities in the presence of resonances. Darling-Dennison and higher-order resonance coupling coefficients can be reliably evaluated as well. The method is illustrated on classic molecules: water and formaldehyde. A number of theoretical conclusions results, including the necessity of using sextic force field in the fourth order (CVPT4) and the nearly vanishing CVPT4 contributions for bending and wagging modes. The coefficients of perturbative Dunham-type Hamiltonians in high-orders of CVPT are found to conform to the rules of equality at different orders as earlier proven analytically for diatomic molecules. The method can serve as a good substitution of the more traditional VPT2.

  7. Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

    International Nuclear Information System (INIS)

    Clabo, D.A. Jr.

    1987-04-01

    Inclusion of the anharmonicity normal mode vibrations [i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface] is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules

  8. Systematic studies of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher derivative methods: Applications to asymmetric and symmetric top and linear polyatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Clabo, D.A. Jr.

    1987-04-01

    Inclusion of the anharmonicity normal mode vibrations (i.e., the third and fourth (and higher) derivatives of a molecular Born-Oppenheimer potential energy surface) is necessary in order to theoretically reproduce experimental fundamental vibrational frequencies of a molecule. Although ab initio determinations of harmonic vibrational frequencies may give errors of only a few percent by the inclusion of electron correlation within a large basis set for small molecules, in general, molecular fundamental vibrational frequencies are more often available from high resolution vibration-rotation spectra. Recently developed analytic third derivatives methods for self-consistent-field (SCF) wavefunctions have made it possible to examine with previously unavailable accuracy and computational efficiency the anharmonic force fields of small molecules.

  9. Fragility, anharmonicity and anelasticity of silver borate glasses

    International Nuclear Information System (INIS)

    Carini, Giovanni; Carini, Giuseppe; D'Angelo, Giovanna; Tripodo, Gaspare; Bartolotta, Antonio; Marco, Gaetano Di

    2006-01-01

    The fragility and the anharmonicity of (Ag 2 O) x (B 2 O 3 ) 1-x borate glasses have been quantified by measuring the change in the specific heat capacity at the glass transition temperature T g and the room-temperature thermodynamic Grueneisen parameter. Increasing the silver oxide content above X = 0.10 leads to an increase of both the parameters, showing that a growing fragility of a glass-forming liquid is predictive of an increasing overall anharmonicity of its glassy state. The attenuation and velocity of ultrasonic waves of frequencies in the range of 10-70 MHz have also been measured in silver borate glasses as a function of temperature between 1.5 and 300 K. The experimental data reveal anelastic behaviours which are governed by (i) quantum-mechanical tunnelling below 20 K (ii) thermally activated relaxations between 20 and 200 K and (iii) vibrational anharmonicity at even higher temperatures. Evaluation of tunnelling (C) and relaxation (C * ) strengths shows that C is independent of the structural changes affecting the borate network with increasing metal oxide content and is at least one order of magnitude smaller than C * . The latter observation implies that only a small fraction of the locally mobile defects are subjected to tunnelling motions

  10. Stochastic many-body perturbation theory for anharmonic molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hermes, Matthew R. [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan)

    2014-08-28

    A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.

  11. Confinement-induced resonances in anharmonic waveguides

    Energy Technology Data Exchange (ETDEWEB)

    Peng Shiguo [Department of Physics, Tsinghua University, Beijing 100084 (China); Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne 3122 (Australia); Hu Hui; Liu Xiaji; Drummond, Peter D. [Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne 3122 (Australia)

    2011-10-15

    We develop the theory of anharmonic confinement-induced resonances (ACIRs). These are caused by anharmonic excitation of the transverse motion of the center of mass (c.m.) of two bound atoms in a waveguide. As the transverse confinement becomes anisotropic, we find that the c.m. resonant solutions split for a quasi-one-dimensional (1D) system, in agreement with recent experiments. This is not found in harmonic confinement theories. A new resonance appears for repulsive couplings (a{sub 3D}>0) for a quasi-two-dimensional (2D) system, which is also not seen with harmonic confinement. After inclusion of anharmonic energy corrections within perturbation theory, we find that these ACIRs agree extremely well with anomalous 1D and 2D confinement-induced resonance positions observed in recent experiments. Multiple even- and odd-order transverse ACIRs are identified in experimental data, including up to N=4 transverse c.m. quantum numbers.

  12. Anharmonic oscillator and Bogoliubov transformation

    International Nuclear Information System (INIS)

    Pattnayak, G.C.; Torasia, S.; Rath, B.

    1990-01-01

    The anharmonic oscillator occupies a cornerstone in many problems in physics. It was observed that none of the authors have tested Bogoliubov transformation to study anharmonic oscillator. The groundstate energy of the anharmonic oscillator is studied using Bogoliubov transformation and the results presented. (author)

  13. Superconductivity mediated by anharmonic phonons: application to β-pyrochlore oxides

    Science.gov (United States)

    Hattori, Kazumasa; Tsunetsugu, Hirokazu

    2010-03-01

    We investigate three dimensional anharmonic phonons under tetrahedral symmetry and superconductivity mediated by these phonons. Three dimensional anharmonic phonon spectra are calculated directly by solving Schr"odinger equation and the superconducting transition temperature is determined by using the theory of strong coupling superconductivity assuming an isotropic gap function. With increasing the third order anharmonicity b of the tetrahedral potential, we find a crossover in the energy spectrum to a quantum tunneling regime. We obtain strongly enhanced transition temperatures around the crossover point. The first order transition observed in KOs2O6 is discussed in terms of the first excited state energy δ, and the coupling constant λ in the strong coupling theory of superconductivity. Our results suggest that the decrease of λ and increase of δ below the first order transition temperature. We point out that the change in the oscillation amplitude and characterizes this isomorphic transition. The chemical trends of the superconducting transition temperature, λ, and δ in the β-pyrochlore compounds are also discussed.

  14. Crystal anharmonicity in Li(H,D) and Na(H,D) systems

    International Nuclear Information System (INIS)

    Islam, A.K.M.A.; Haque, E.; Azad, A.S.

    1993-05-01

    The reliability of our recently developed potential model is tested by extending the study to various anharmonic properties, e.g., third order elastic constants, fourth order elastic constants, Grueneisen parameters, and the pressure derivatives of second order elastic constants of hydrides and deuterides of lithium and sodium. A comparison of the calculated properties with the available experimental results and other theoretical estimates shows the validity and reliability of the derived potential in the study of crystal anharmonicities also. (author). 43 refs, 2 figs, 4 tabs

  15. Orientational anharmonicity of interatomic interaction in cubic monocrystals

    International Nuclear Information System (INIS)

    Belomestnykh, Vladimir N.; Tesleva, Elena P.

    2010-01-01

    Anharmonicity of interatomic interaction from a position of physical acoustics under the standard conditions is investigated. It is shown that the measure of anharmonicity of interatomic interaction (Grilneisen parameter) is explicitly expressed through velocities of sound. Calculation results of orientation anharmonicity are shown on the example of 116 cubic monocrystals with different lattice structural type and type of chemical bond. Two types of anharmonicity interatomic interaction anisotropy are determined. Keywords: acoustics, orientational anharmonicity, Gruneisen parameter, velocity of sound

  16. Anharmonic effective pair potentials of gold under high pressure and high temperature

    CERN Document Server

    Okube, M; Ohtaka, O; Fukui, H; Katayama, Y; Utsumi, W

    2002-01-01

    In order to examine the effect of pressure on the anharmonicity of Au, extended x-ray absorption fine-structure spectra near the Au L sub 3 edge were measured in the temperature range from 300 to 1100 K under pressures up to 14 GPa using large-volume high-pressure devices and synchrotron radiation. The anharmonic effective pair potentials of Au, V (u) = au sup 2 + bu sup 3 , at 0.1 MPa, 6 and 14 GPa have been calculated. The pressure dependence of the thermal expansion coefficients has also been evaluated. The reliability of the anharmonic correction proposed on the basis of the Anderson scale has been discussed.

  17. Ab initio calculations of anharmonic vibrational circular dichroism intensities of trans-2,3-dideuteriooxirane

    DEFF Research Database (Denmark)

    Bak, KL; Bludsky, O.; Jorgensen, P

    1995-01-01

    A priori theory is derived for anharmonic calculations of vibrational circular dichroism (VCD). The anharmonic VCD expression is gauge origin independent and reduce to the magnetic field perturbation theory expression in the double-harmonic approximation. The theory has been implemented using...... for the atomic axial tensors and using second-order Moller-Plesset theory for the atomic polar tensors and the force fields, The changes of the vibrational rotatory strengths from anharmonicities are small, and do not explain the previously observed large discrepancies between the double-harmonic results...

  18. Instantons and Borel resummability for the perturbed supersymmetric anharmonic oscillator

    International Nuclear Information System (INIS)

    Verbaarschot, J.J.M.; West, P.

    1991-01-01

    In this paper we give an analytical derivation of the large-order behavior of the perturbation series for both the ground state and the excited states of the supersymmetric anharmonic oscillator and of the anharmonic oscillator obtained from the supersymmetric case by varying the strength of the fermion coupling. The results which are obtained with the help of instanton calculus coincide with those obtained numerically in previous work. The large-order perturbation series of the ground state vanishes in the supersymmetric case, whereas away from the supersymmetric point the perturbation series diverges factorially. The perturbation series of the excited states diverges factorially both at the supersymmetric point and away from this point

  19. The construction of partner potential from the general potential anharmonic in D-dimensional Schrodinger system

    Science.gov (United States)

    Suparmi; Cari, C.; Wea, K. N.; Wahyulianti

    2018-03-01

    The Schrodinger equation is the fundamental equation in quantum physics. The characteristic of the particle in physics potential field can be explained by using the Schrodinger equation. In this study, the solution of 4 dimensional Schrodinger equation for the anharmonic potential and the anharmonic partner potential have done. The method that used to solve the Schrodinger equation was the ansatz wave method, while to construction the partner potential was the supersymmetric method. The construction of partner potential used to explain the experiment result that cannot be explained by the original potential. The eigenvalue for anharmonic potential and the anharmonic partner potential have the same characteristic. Every increase of quantum orbital number the eigenvalue getting smaller. This result corresponds to Bohrn’s atomic theory that the eigenvalue is inversely proportional to the atomic shell. But the eigenvalue for the anharmonic partner potential higher than the eigenvalue for the anharmonic original potential.

  20. Anharmonicity in nuclear wobbling motion

    International Nuclear Information System (INIS)

    Oi, M.

    2007-01-01

    An unexpected strong anharmonicity was observed in the wobbling spectrum in 163 Lu. In an attempt to understand what causes the deviation from the original wobbling model by Bohr and Mottelson, an analysis is presented using several different approaches, such as exact diagonalization, a semiclassical model to deal with anharmonic wobbling motion, and a microscopic method based on the self-consistent cranking calculation

  1. Microscopic approach to nuclear anharmonicities

    International Nuclear Information System (INIS)

    Matsuo, Masayuki; Shimizu, Yoshifumi; Matsuyanagi, Kenichi

    1985-01-01

    Present status of microscopic study of nuclear anharmonicity phenomena is reviewed from the viewpoint of the time-dependent Hartree-Bogoliubov approach. Both classical- and quantum-mechanical aspects of this approach are discussed. The Bohr-Mottelson-type collective Hamiltonian for anharmonic gamma vibrations is microscopically derived by means of the self-consistent-collective-coordinate method, and applied to the problem of two-phonon states of 168 Er. (orig.)

  2. Anharmonic thermal vibrations of be metal found in the MEM nuclear density map

    International Nuclear Information System (INIS)

    Takata, Masaki; Sakata, Makoto; Larsen, F.K.; Kumazawa, Shintaro; Iversen, B.B.

    1993-01-01

    A direct observation of the thermal vibrations of Be metal was performed by the Maximum Entropy Method (MEM) using neutron single crystal data. In the previous study, the existence of the small but significant cubic anharmonicity of Be has been found by the conventional least squares refinement of the observed structure factors [Larsen, Lehmann and Merisalo (1980) Acta Cryst. A36, 159-163]. In the present study, the same data were used for the MEM analysis which are comprised of 48 reflections up to sinθ/λ = 1.41A -1 in order to obtain the high resolution nuclear density of Be without using any thermal vibrational model. It was directly visible in the MEM map that not only the cubic terms but also quartic anharmonicities exist in the thermal vibrations of Be nuclei. In order to evaluate thermal parameters of Be including anharmonic terms quantitatively, the least squares refinement of the effective one-particle potential (OPP) parameters up to quartic term was carried out by using the MEM nuclear densities around atomic sites as the data set to be fitted. It was found that the present treatment has a great advantage to decide the most appropriate model of OPP by visually comparing the model with MEM density map. As a result of the least squares refinement, the anharmonic thermal parameters are obtained as α 33 = -0.340(5)[eV/A 3 ], α 40 = 0, β 20 = 9.89(1)[eV/A 4 ] and γ 00 = 0. No other anharmonic term was significant. (author)

  3. Kinks in systems with cubic and quartic anharmonicity

    International Nuclear Information System (INIS)

    Kashcheev, V.N.

    1988-01-01

    For a classical system of interacting particles with on-site cubic or quartic anharmonicity explicit analytic solutions of the d'Alembert equation are obtained in the form of kinks in the presence of dissipation (viscous or Rayleigh) and a constant force. These kinks will be asymptotically stable in the case of quartic anharmonicity and unstable in the case cubic anharmonicity

  4. Anharmonic phonon-phonon scattering modeling of three-dimensional atomistic transport: An efficient quantum treatment

    Science.gov (United States)

    Lee, Y.; Bescond, M.; Logoteta, D.; Cavassilas, N.; Lannoo, M.; Luisier, M.

    2018-05-01

    We propose an efficient method to quantum mechanically treat anharmonic interactions in the atomistic nonequilibrium Green's function simulation of phonon transport. We demonstrate that the so-called lowest-order approximation, implemented through a rescaling technique and analytically continued by means of the Padé approximants, can be used to accurately model third-order anharmonic effects. Although the paper focuses on a specific self-energy, the method is applicable to a very wide class of physical interactions. We apply this approach to the simulation of anharmonic phonon transport in realistic Si and Ge nanowires with uniform or discontinuous cross sections. The effect of increasing the temperature above 300 K is also investigated. In all the considered cases, we are able to obtain a good agreement with the routinely adopted self-consistent Born approximation, at a remarkably lower computational cost. In the more complicated case of high temperatures (≫300 K), we find that the first-order Richardson extrapolation applied to the sequence of the Padé approximants N -1 /N results in a significant acceleration of the convergence.

  5. Remarks on the choice of trial hamiltonians for the quantum statistical treatment of anharmonic systems

    International Nuclear Information System (INIS)

    Tsallis, C.; Valle, J.W.F.

    1979-01-01

    The use of the Variational Method to discuss Quantum Statistical Mechanics of anharmonic systems requires, in order to be able to obtain the correct classical limit, the allowance for renormalization of every operator whose definition depends on the harmonic coefficients. The point is exhibited for a single anharmonic oscillator. In this particular case there is no need for mass renormalization. (Author) [pt

  6. Detecting anharmonicity at a glance

    International Nuclear Information System (INIS)

    Giliberti, M; Stellato, M; Barbieri, S; Cavinato, M; Rigon, E; Tamborini, M

    2014-01-01

    Harmonic motion is generally presented in such a way that most of the students believe that the small oscillations of a body are all harmonic. Since the situation is not actually so simple, and since the comprehension of harmonic motion is essential in many physical contexts, we present here some suggestions, addressed to undergraduate students and pre-service teachers, that allow one to find out at a glance the anharmonicity of a motion. Starting from a didactically motivated definition of harmonic motion, and stressing the importance of the interplay between mathematics and experiments, we give a four-point criterion for anharmonicity together with some emblematic examples. The role of linear damping is also analysed in relation to the gradual changing of harmonicity into anharmonicity when the ratio between the damping coefficient and the zero-friction angular frequency increases. (paper)

  7. Anharmonic vibrational spectroscopic investigation of malonaldehyde

    International Nuclear Information System (INIS)

    Alparone, A.; Millefiori, S.

    2003-01-01

    Anharmonic IR spectra of H-bonded and non-H-bonded conformers of malonaldehyde (MA) and its isotopomers MA-D 6 D 8 and MA-D 7 D 9 have been computed by the Vibrational-Self-Consistent-Field (VSCF) and the correlation-corrected-VSCF (CC-VSCF) techniques using ab initio MP2/6-31G*(+p) potential energies. The agreement between the experimental and calculated frequencies is significantly improved to within 2-3%. Anharmonic contributions are substantial especially for νOH of the H-bonded form, by reducing the harmonic value by more than 500 cm -1 . The effect is less important in the non-H-bonded form. The νOH stretching mode is strongly coupled with the ν 3 mode (essentially νCH 7 ) and with the in-plane and out-of-plane OH bending deformations. H-bond formation and deuteration batochromically shift νOH by an amount which is influenced by the anharmonic terms, the major contribution arising from coupling between modes. The comparison with the νOH mode of some other H-bonded systems suggests that anharmonic correction follows H-bonding strength

  8. Dynamic of cold-atom tips in anharmonic potentials

    Science.gov (United States)

    Menold, Tobias; Federsel, Peter; Rogulj, Carola; Hölscher, Hendrik; Fortágh, József

    2016-01-01

    Background: Understanding the dynamics of ultracold quantum gases in an anharmonic potential is essential for applications in the new field of cold-atom scanning probe microscopy. Therein, cold atomic ensembles are used as sensitive probe tips to investigate nanostructured surfaces and surface-near potentials, which typically cause anharmonic tip motion. Results: Besides a theoretical description of this anharmonic tip motion, we introduce a novel method for detecting the cold-atom tip dynamics in situ and real time. In agreement with theory, the first measurements show that particle interactions and anharmonic motion have a significant impact on the tip dynamics. Conclusion: Our findings will be crucial for the realization of high-sensitivity force spectroscopy with cold-atom tips and could possibly allow for the development of advanced spectroscopic techniques such as Q-control. PMID:28144505

  9. First-principles theory of anharmonicity and the inverse isotope effect in superconducting palladium-hydride compounds.

    Science.gov (United States)

    Errea, Ion; Calandra, Matteo; Mauri, Francesco

    2013-10-25

    Palladium hydrides display the largest isotope effect anomaly known in the literature. Replacement of hydrogen with the heavier isotopes leads to higher superconducting temperatures, a behavior inconsistent with harmonic theory. Solving the self-consistent harmonic approximation by a stochastic approach, we obtain the anharmonic free energy, the thermal expansion, and the superconducting properties fully ab initio. We find that the phonon spectra are strongly renormalized by anharmonicity far beyond the perturbative regime. Superconductivity is phonon mediated, but the harmonic approximation largely overestimates the superconducting critical temperatures. We explain the inverse isotope effect, obtaining a -0.38 value for the isotope coefficient in good agreement with experiments, hydrogen anharmonicity being mainly responsible for the isotope anomaly.

  10. Low-temperature anharmonicity in cesium chloride (CsCl)

    Energy Technology Data Exchange (ETDEWEB)

    Sist, Mattia; Faerch Fischer, Karl Frederik; Brummerstedt Iversen, Bo [Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University (Denmark); Kasai, Hidetaka [Center for Materials Crystallography, Department of Chemistry and iNANO, Aarhus University (Denmark); Faculty of Pure and Applied Sciences, TIMS and CiRfSE, University of Tsukuba (Japan)

    2017-03-20

    Anharmonic lattice vibrations govern heat transfer in materials, and anharmonicity is commonly assumed to be dominant at high temperature. The textbook cubic ionic defect-free crystal CsCl is shown to have an unexplained low thermal conductivity at room temperature (ca. 1 W/(m K)), which increases to around 13 W/(m K) at 25 K. Through high-resolution X-ray diffraction it is unexpectedly shown that the Cs atomic displacement parameter becomes anharmonic at 20 K. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Finite-element time evolution operator for the anharmonic oscillator

    Science.gov (United States)

    Milton, Kimball A.

    1995-01-01

    The finite-element approach to lattice field theory is both highly accurate (relative errors approximately 1/N(exp 2), where N is the number of lattice points) and exactly unitary (in the sense that canonical commutation relations are exactly preserved at the lattice sites). In this talk I construct matrix elements for dynamical variables and for the time evolution operator for the anharmonic oscillator, for which the continuum Hamiltonian is H = p(exp 2)/2 + lambda q(exp 4)/4. Construction of such matrix elements does not require solving the implicit equations of motion. Low order approximations turn out to be extremely accurate. For example, the matrix element of the time evolution operator in the harmonic oscillator ground state gives a results for the anharmonic oscillator ground state energy accurate to better than 1 percent, while a two-state approximation reduces the error to less than 0.1 percent.

  12. Nonadiabatic anharmonic electron transfer

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, P. P. [Molecular Physics Research, 6547 Kristina Ursula Court, Falls Church, Virginia 22044 (United States)

    2013-03-28

    The effect of an inner sphere, local mode vibration on an electron transfer is modeled using the nonadiabatic transition probability (rate) expression together with both the anharmonic Morse and the harmonic oscillator potential. For an anharmonic inner sphere mode, a variational analysis uses harmonic oscillator basis functions to overcome the difficulties evaluating Morse-model Franck-Condon overlap factors. Individual matrix elements are computed with the use of new, fast, robust, and flexible recurrence relations. The analysis therefore readily addresses changes in frequency and/or displacement of oscillator minimums in the different electron transfer states. Direct summation of the individual Boltzmann weighted Franck-Condon contributions avoids the limitations inherent in the use of the familiar high-temperature, Gaussian form of the rate constant. The effect of harmonic versus anharmonic inner sphere modes on the electron transfer is readily seen, especially in the exoergic, inverted region. The behavior of the transition probability can also be displayed as a surface for all temperatures and values of the driving force/exoergicity {Delta}=-{Delta}G. The temperature insensitivity of the transfer rate is clearly seen when the exoergicity equals the collective reorganization energy ({Delta}={Lambda}{sub s}) along a maximum ln (w) vs. {Delta} ridge of the surface. The surface also reveals additional regions for {Delta} where ln (w) appears to be insensitive to temperature, or effectively activationless, for some kinds of inner sphere contributions.

  13. Nuclear catalysis mediated by localized anharmonic vibrations

    OpenAIRE

    Dubinko, Vladimir

    2015-01-01

    In many-body nonlinear systems with sufficient anharmonicity, a special kind of lattice vibrations, namely, Localized Anharmonic Vibrations (LAVs) can be excited either thermally or by external triggering, in which the amplitude of atomic oscillations greatly exceeds that of harmonic oscillations (phonons) that determine the system temperature. Coherency and persistence of LAVs may have drastic effect on quantum tunneling due to correlation effects discovered by Schrodinger and Robertson in 1...

  14. Infrared and Raman Spectra of and Isotopomers: A DFT-PT2 Anharmonic Study

    Directory of Open Access Journals (Sweden)

    Andrea Alparone

    2013-01-01

    Full Text Available IR and Raman spectra of selenophene and of its perdeuterated isotopomer have been obtained in gas phase through density-functional theory (DFT computations. Vibrational wavenumbers have been calculated using harmonic and anharmonic second-order perturbation theory (PT2 procedures with the B3LYP method and the 6-311 basis set. Anharmonic overtones have been determined by means of the PT2 method. The introduction of anharmonic terms decreases the harmonic wavenumbers, giving a significantly better agreement with the experimental data. The most significant anharmonic effects occur for the C–H and C–D stretching modes, the observed H/D isotopic wavenumber redshifts being satisfactorily reproduced by the PT2 computations within 6–20 cm−1 (1–3%. In the spectral region between 500 cm−1 and 1500 cm−1, the IR spectra are dominated by the out-of-plane C–H (C–D bending transition, whereas the Raman spectra are mainly characterized by a strong peak mainly attributed to the C=C + C–C bonds stretching vibration with the contribution of the in-plane C–H (C–D bending deformation. The current results confirm that the PT2 approach combined with the B3LYP/6-311 level of calculation is a satisfactory choice for predicting vibrational spectra of cyclic molecules.

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

    International Nuclear Information System (INIS)

    Yamazaki, K.; Kyoto Univ.

    1984-01-01

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

  16. Theory of a quantum anharmonic oscillator

    International Nuclear Information System (INIS)

    Carusotto, S.

    1988-01-01

    The time evolution of a quantum single-quartic anharmonic oscillator is considered. The study is carried on in operational form by use of the raising and lowering operators of the oscillator. The equation of motion is solved by application of a new integration method based on iteration techniques, and the rigorous solutions that describe the time development of the displacement and momentum operators of the oscillator are obtained. These operators are presented as a Laplace transform and a subsequent inverse Laplace transform of suitable functionals. Finally, the results are employed to describe the time evolution of a quasiclassical anharmonic oscillator

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

    International Nuclear Information System (INIS)

    Zinn-Justin, Jean; Jentschura, Ulrich D.

    2004-01-01

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

  18. Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics method.

    Science.gov (United States)

    Shen, Tonghao; Su, Neil Qiang; Wu, Anan; Xu, Xin

    2014-03-05

    In this work, we first review the perturbative treatment of an oscillator with cubic anharmonicity. It is shown that there is a quantum-classical correspondence in terms of mean displacement, mean-squared displacement, and the corresponding variance in the first-order perturbation theory, provided that the amplitude of the classical oscillator is fixed at the zeroth-order energy of quantum mechanics EQM (0). This correspondence condition is realized by proposing the extended Langevin dynamics (XLD), where the key is to construct a proper driving force. It is assumed that the driving force adopts a simple harmonic form with its amplitude chosen according to EQM (0), while the driving frequency chosen as the harmonic frequency. The latter can be improved by using the natural frequency of the system in response to the potential if its anharmonicity is strong. By comparing to the accurate numeric results from discrete variable representation calculations for a set of diatomic species, it is shown that the present method is able to capture the large part of anharmonicity, being competitive with the wave function-based vibrational second-order perturbation theory, for the whole frequency range from ∼4400 cm(-1) (H2 ) to ∼160 cm(-1) (Na2 ). XLD shows a substantial improvement over the classical molecular dynamics which ceases to work for hard mode when zero-point energy effects are significant. Copyright © 2013 Wiley Periodicals, Inc.

  19. Polyad quantum numbers and multiple resonances in anharmonic vibrational studies of polyatomic molecules.

    Science.gov (United States)

    Krasnoshchekov, Sergey V; Stepanov, Nikolay F

    2013-11-14

    In the theory of anharmonic vibrations of a polyatomic molecule, mixing the zero-order vibrational states due to cubic, quartic and higher-order terms in the potential energy expansion leads to the appearance of more-or-less isolated blocks of states (also called polyads), connected through multiple resonances. Such polyads of states can be characterized by a common secondary integer quantum number. This polyad quantum number is defined as a linear combination of the zero-order vibrational quantum numbers, attributed to normal modes, multiplied by non-negative integer polyad coefficients, which are subject to definition for any particular molecule. According to Kellman's method [J. Chem. Phys. 93, 6630 (1990)], the corresponding formalism can be conveniently described using vector algebra. In the present work, a systematic consideration of polyad quantum numbers is given in the framework of the canonical Van Vleck perturbation theory (CVPT) and its numerical-analytic operator implementation for reducing the Hamiltonian to the quasi-diagonal form, earlier developed by the authors. It is shown that CVPT provides a convenient method for the systematic identification of essential resonances and the definition of a polyad quantum number. The method presented is generally suitable for molecules of significant size and complexity, as illustrated by several examples of molecules up to six atoms. The polyad quantum number technique is very useful for assembling comprehensive basis sets for the matrix representation of the Hamiltonian after removal of all non-resonance terms by CVPT. In addition, the classification of anharmonic energy levels according to their polyad quantum numbers provides an additional means for the interpretation of observed vibrational spectra.

  20. Study of thermophysical and anharmonic properties of fluorite compounds

    International Nuclear Information System (INIS)

    Singh, R.K.; Pandey, N.K.

    1983-01-01

    An extensive study is made of thermophysical and anharmonic properties of fluorite compounds using an interionic potential, which consists of a long-range Coulomb and three-body interactions and the short-range overlap repulsion and van der Waals attraction. The agreement achieved between experimental and theoretical results on third-order elastic constants and pressure derivatives of second order elastic constants are generally better than those obtained by others. This potential succeeds in predicting various thermophysical properties, like compressibility and its pressure and temperature derivatives, thermal expansion and Grueneisen parameters of seven crystals of fluorite structure. (author)

  1. Equidistance of the complex two-dimensional anharmonic oscillator spectrum: the exact solution

    International Nuclear Information System (INIS)

    Cannata, F; Ioffe, M V; Nishnianidze, D N

    2012-01-01

    We study a class of quantum two-dimensional models with complex potentials of a specific form. They can be considered as the generalization of a recently studied model with quadratic interaction not amenable to the conventional separation of variables. In the present case, the property of shape invariance provides the equidistant form of the spectrum and the algorithm to construct eigenfunctions analytically. It is shown that the Hamiltonian is non-diagonalizable, and the resolution of identity must also include the corresponding associated functions. In the specific case of anharmonic second plus fourth-order interaction, expressions for the wavefunctions and associated functions are constructed explicitly for the lowest levels, and the recursive algorithm to produce higher level wavefunctions is given. (paper)

  2. Anharmonic effects in the quantum cluster equilibrium method

    Science.gov (United States)

    von Domaros, Michael; Perlt, Eva

    2017-03-01

    The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.

  3. First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

    Science.gov (United States)

    Tadano, Terumasa; Tsuneyuki, Shinji

    2018-04-01

    We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory, and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreement with experimental data is obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way of studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

  4. Quantum versus semiclassical description of selftrapping: anharmonic effects

    International Nuclear Information System (INIS)

    Raghavan, S.; Bishop, A.R.; Kenkre, V.M.

    1998-09-01

    Selftrapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that selftrapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. (author)

  5. Anharmonic potential in the oscillator representation

    International Nuclear Information System (INIS)

    Dineykhan, M.; Efimov, G.V.

    1994-01-01

    In the non relativistic and relativized Schroedinger equation the Wick ordering method called the oscillator representation is proposed to calculate the energy spectrum for a wide class of potentials allowing the existence of a bound state. The oscillator representation method gives a unique regular way to describe and calculate the energy levels of ground as well as orbital and radial excitation states for a wide class of potentials. The results of the zeroth approximation oscillator representation are in good agreement with the exact values for the anharmonic potentials. The oscillator representation method was applied to the relativized Schroedinger equation too. The perturbation series converges fairly fast, i.e., the highest perturbation corrections over the interaction Hamiltonian are small enough. 29 refs.; 4 tabs. (author)

  6. Energy eigenvalues and squeezing properties of general systems of coupled quantum anharmonic oscillators

    International Nuclear Information System (INIS)

    Chung, N. N.; Chew, L. Y.

    2007-01-01

    We have generalized the two-step approach to the solution of systems of N coupled quantum anharmonic oscillators. By using the squeezed vacuum state of each individual oscillator, we construct the tensor product state, and obtain the optimal squeezed vacuum product state through energy minimization. We then employ this optimal state and its associated bosonic operators to define a basis set to construct the Heisenberg matrix. The diagonalization of the matrix enables us to obtain the energy eigenvalues of the coupled oscillators. In particular, we have applied our formalism to determine the eigenenergies of systems of two coupled quantum anharmonic oscillators perturbed by a general polynomial potential, as well as three and four coupled systems. Furthermore, by performing a first-order perturbation analysis about the optimal squeezed vacuum product state, we have also examined into the squeezing properties of two coupled oscillator systems

  7. Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4

    International Nuclear Information System (INIS)

    Li, Liang; Wölfel, Alexander; Schönleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; Smaalen, Sander van

    2011-01-01

    The superspace maximum entropy method (MEM) density in combination with structure refinements has been used to uncover the modulation in incommensurate Rb 2 ZnCl 4 close to the lock-in transition. Modulated atomic displacement parameters (ADPs) and modulated anharmonic ADPs are found to form an intrinsic part of the modulation. Refined values for the displacement modulation function depend on the presence or absence of modulated ADPs in the model. A combination of structure refinements, analysis of the superspace MEM density and interpretation of difference-Fourier maps has been used to characterize the incommensurate modulation of rubidium tetrachlorozincate, Rb 2 ZnCl 4 , at a temperature of T = 196 K, close to the lock-in transition at T lock-in = 192 K. The modulation is found to consist of a combination of displacement modulation functions, modulated atomic displacement parameters (ADPs) and modulated third-order anharmonic ADPs. Up to fifth-order Fourier coefficients could be refined against diffraction data containing up to fifth-order satellite reflections. The center-of-charge of the atomic basins of the MEM density and the displacive modulation functions of the structure model provide equivalent descriptions of the displacive modulation. Modulations of the ADPs and anharmonic ADPs are visible in the MEM density, but extracting quantitative information about these modulations appears to be difficult. In the structure refinements the modulation parameters of the ADPs form a dependent set, and ad hoc restrictions had to be introduced in the refinements. It is suggested that modulated harmonic ADPs and modulated third-order anharmonic ADPs form an intrinsic part, however small, of incommensurately modulated structures in general. Refinements of alternate models with and without parameters for modulated ADPs lead to significant differences between the parameters of the displacement modulation in these two types of models, thus showing the modulation of ADPs to

  8. High-pressure phase diagram of hydrogen and deuterium sulfides from first principles: Structural and vibrational properties including quantum and anharmonic effects

    Science.gov (United States)

    Bianco, Raffaello; Errea, Ion; Calandra, Matteo; Mauri, Francesco

    2018-06-01

    We study the structural and vibrational properties of the high-temperature superconducting sulfur trihydride and trideuteride in the high-pressure I m 3 ¯m and R 3 m phases by first-principles density-functional-theory calculations. On lowering pressure, the rhombohedral transition I m 3 ¯m →R 3 m is expected, with hydrogen-bond desymmetrization and occurrence of trigonal lattice distortion. With both Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) exchange-correlation functional, in hydrostatic conditions we find that, contrary to what is suggested in some recent experiments, if the rhombohedral distortion exists it affects mainly the hydrogen bonds, whereas the resulting cell distortion is minimal. We estimate that the occurrence of a stress anisotropy of approximately 10 % could explain this discrepancy. Assuming hydrostatic conditions, we calculate the critical pressure at which the rhombohedral transition occurs. Quantum and anharmonic effects, which are relevant in this system, are included at nonperturbative level with the stochastic self-consistent harmonic approximation. Within this approach, we determine the transition pressure by calculating the free-energy Hessian, a method that allows to estimate the critical pressure with much higher precision (and much lower computational cost) compared with the free-energy "finite-difference" approach previously used. Using PBE and BLYP, we find that quantum anharmonic effects are responsible for a strong reduction of the critical pressure with respect to the one obtained with the classical harmonic approach. Interestingly, for the two functionals, even if the transition pressures at classical harmonic level differ by 83 GPa, the transition pressures including quantum anharmonic effects differ only by 23 GPa. Moreover, we observe a prominent isotope effect, as we estimate higher transition pressure for D3S than for H3S . Finally, within the stochastic self-consistent harmonic approximation, with PBE

  9. Pressure measurements of TO-phonon anharmonicity in isotopic ZnS

    Energy Technology Data Exchange (ETDEWEB)

    Tallman, R.E.; Weinstein, B.A. [SUNY at Buffalo, Department of Physics, Buffalo, NY 14260 (United States); Ritter, T.M. [Dept. of Chemistry and Physics, UNC Pembroke, NC 28372 (United States); Cantarero, A. [Dept. of Physics and Institute of Materials Science, University of Valencia (Spain); Serrano, J.; Lauck, R.; Cardona, M. [Max-Planck-Institut fuer Festkoerperforschung, 70569 Stuttgart (Germany)

    2004-03-01

    We have measured the dependence on pressure of the line-widths of the TO and LO Raman phonons of {beta}-ZnS. In order to enhance the phenomena observed, and to eliminate possible effects of isotopic disorder, we have measured a nearly isotopically pure crystal, {sup 68}Zn{sup 32}S. The strongly structured pressure effects observed are interpreted on the basis of anharmonic decay and the corresponding two-phonon density of states. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations.

    Science.gov (United States)

    Ruggiero, Michael T; Zeitler, J Axel

    2016-11-17

    Anharmonicity has been shown to be an important piece of the fundamental framework that dictates numerous observable phenomena. In particular, anharmonicity is the driving force of vibrational relaxation processes, mechanisms that are integral to the proper function of numerous chemical processes. However, elucidating its origins has proven difficult due to experimental and theoretical challenges, specifically related to separating the anharmonic contributions from other unrelated effects. While no one technique is particularly suited for providing a complete picture of anharmonicity, by combining multiple complementary methods such a characterization can be made. In this study the role of individual atomic interactions on the anharmonic properties of crystalline purine, the building block of many DNA and RNA nucleobases, is studied by experimental terahertz time-domain spectroscopy and first-principles density functional theory (DFT) and ab initio molecular dynamics simulations (AIMD). In particular, the detailed vibrational information provided by the DFT calculations is used to interpret the atomic origins of anharmonic-related effects as determined by the AIMD calculations, which are in good agreement with the experimental data. The results highlight that anharmonicity is especially pronounced in the intermolecular interactions, particularly along the amine hydrogen bond coordinate, and yields valuable insight into what is similarly observed complex biosystems and crystalline solids.

  11. Higher-order (non-)modularity

    DEFF Research Database (Denmark)

    Appel, Claus; van Oostrom, Vincent; Simonsen, Jakob Grue

    2010-01-01

    We show that, contrary to the situation in first-order term rewriting, almost none of the usual properties of rewriting are modular for higher-order rewriting, irrespective of the higher-order rewriting format. We show that for the particular format of simply typed applicative term rewriting...... systems modularity of confluence, normalization, and termination can be recovered by imposing suitable linearity constraints....

  12. Quantum anharmonic oscillator: The airy function approach

    Energy Technology Data Exchange (ETDEWEB)

    Maiz, F., E-mail: fethimaiz@gmail.com [King Khalid University, Faculty of Science, Physics Department, PO Box 9004, Abha 61413, Asseer (Saudi Arabia); University of Cartage, Nabeul Engineering Preparatory Institute, Merazka, 8000 Nabeul (Tunisia); AlFaify, S. [King Khalid University, Faculty of Science, Physics Department, PO Box 9004, Abha 61413, Asseer (Saudi Arabia)

    2014-05-15

    New and simple numerical method is being reported to solve anharmonic oscillator problems. The method is setup to approach the real potential V(x) of the anharmonic oscillator system as a piecewise linear potential u(x) and to solve the Schrödinger equation of the system using the Airy function. Then, solutions continuity conditions lead to the energy quantification condition, and consequently, the energy eigenvalues. For testing purpose, the method was applied on the sextic and octic oscillators systems. The proposed method is found to be realistic, computationally simple, and having high degrees of accuracy. In addition, it can be applied to any form of potential. The results obtained by the proposed method were seen closely agreeing with results reached by other complicated methods.

  13. Ground state energy values and moments of the anharmonic oscillator

    International Nuclear Information System (INIS)

    Seetharaman, M.; Raghavan, Sekhar; Subba Rao, G.

    1981-01-01

    It is shown that a very satisfactory estimate of the energy values (for all values of the anharmonicity) and moments of the ground state of the quartic anharmonic oscillator can be obtained in the variational method, by considering trial wavefunctions which have the correct asymptotic properties. The results derived with a single variational parameter are a considerable improvement over the recent results of C.A. Ginsburg and E.W. Montroll (1978). (author)

  14. HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS: THE REALM OF ANHARMONICITY

    Energy Technology Data Exchange (ETDEWEB)

    Maltseva, Elena; Buma, Wybren Jan [University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Tielens, Alexander G. G. M. [Leiden Observatory, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Huang, Xinchuan; Lee, Timothy J. [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Oomens, Jos, E-mail: w.j.buma@uva.nl, E-mail: petrignani@strw.leidenuniv.nl [Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands)

    2015-11-20

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3-μm CH stretching region of polycyclic aromatic hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold (∼4 K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main bands that fall within 0.5% of the experimental frequencies. The implications for the aromatic infrared bands, specifically the 3-μm band, are discussed.

  15. High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons: The Realm of Anharmonicity

    Science.gov (United States)

    Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

    2016-01-01

    We report on an experimental and theoretical investigation of the importance of anharmonicity in the 3 micrometers CH stretching region of Polycyclic Aromatic Hydrocarbon (PAH) molecules. We present mass-resolved, high-resolution spectra of the gas-phase cold ((is) approximately 4K) linear PAH molecules naphthalene, anthracene, and tetracene. The measured IR spectra show a surprisingly high number of strong vibrational bands. For naphthalene, the observed bands are well separated and limited by the rotational contour, revealing the band symmetries. Comparisons are made to the harmonic and anharmonic approaches of the widely used Gaussian software. We also present calculated spectra of these acenes using the computational program SPECTRO, providing anharmonic predictions enhanced with a Fermi-resonance treatment that utilizes intensity redistribution. We demonstrate that the anharmonicity of the investigated acenes is strong, dominated by Fermi resonances between the fundamental and double combination modes, with triple combination bands as possible candidates to resolve remaining discrepancies. The anharmonic spectra as calculated with SPECTRO lead to predictions of the main modes that fall within 0.5% of the experimental frequencies. The implications for the Aromatic Infrared Bands, specifically the 3-m band are discussed.

  16. Quantum versus semiclassical description of self-trapping: Anharmonic effects

    International Nuclear Information System (INIS)

    Raghavan, S.; Bishop, A.R.; Kenkre, V.M.

    1999-01-01

    Self-trapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum-mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that self-trapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement, with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. copyright 1999 The American Physical Society

  17. Certified higher-order recursive path ordering

    NARCIS (Netherlands)

    Koprowski, A.; Pfenning, F.

    2006-01-01

    The paper reports on a formalization of a proof of wellfoundedness of the higher-order recursive path ordering (HORPO) in the proof checker Coq. The development is axiom-free and fully constructive. Three substantive parts that could be used also in other developments are the formalizations of the

  18. Large time asymptotics of solutions to the anharmonic oscillator model from nonlinear optics

    OpenAIRE

    Jochmann, Frank

    2005-01-01

    The anharmonic oscillator model describing the propagation of electromagnetic waves in an exterior domain containing a nonlinear dielectric medium is investigated. The system under consideration consists of a generally nonlinear second order differential equation for the dielectrical polarization coupled with Maxwell's equations for the electromagnetic field. Local decay of the electromagnetic field for t to infinity in the charge free case is shown for a large class of potentials. (This pape...

  19. Effects of hypersonic field and anharmonic interactions on channelling radiation

    International Nuclear Information System (INIS)

    George, Juby; Pathak, Anand P; Goteti, L N S Prakash; Nagamani, G

    2007-01-01

    The effects of a hypersonic field on positron channelling radiation are considered. Anharmonic effects of the transverse potential induced by these longitudinal fields are incorporated and the wavefunction of the planar channelled positron is found by the solution of Dirac equation under the resonant influence of hypersound. An expression for the resonant frequency is estimated. The transition probabilities and the intensity of the channelling radiation are also calculated. It is found that the anharmonic effects change the spectral distributions considerably

  20. Kinematic anharmonicity of internal rotation of molecules

    International Nuclear Information System (INIS)

    Bataev, V.A.; Pupyshev, V.I.; Godunov, I.A.

    2017-01-01

    The methods of analysis the strongly coupled vibrations are proposed for a number of molecules of aromatic and heterocyclic carbonyl (and some others) compounds. The qualitative principles are formulated for molecular systems with a significant kinematic anharmonicity.

  1. The anharmonic phonon decay rate in group-III nitrides

    International Nuclear Information System (INIS)

    Srivastava, G P

    2009-01-01

    Measured lifetimes of hot phonons in group-III nitrides have been explained theoretically by considering three-phonon anharmonic interaction processes. The basic ingredients of the theory include full phonon dispersion relations obtained from the application of an adiabatic bond charge model and crystal anharmonic potential within the isotropic elastic continuum model. The role of various decay routes, such as Klemens, Ridley, Vallee-Bogani and Barman-Srivastava channels, in determining the lifetimes of the Raman active zone-centre longitudinal optical (LO) modes in BN (zincblende structure) and A 1 (LO) modes in AlN, GaN and InN (wurtzite structure) has been quantified.

  2. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  3. Comparative study of quantum anharmonic potentials

    International Nuclear Information System (INIS)

    Amore, Paolo; Aranda, Alfredo; De Pace, Arturo; Lopez, Jorge A.

    2004-01-01

    We perform a study of various anharmonic potentials using a recently developed method. We calculate both the wave functions and the energy eigenvalues for the ground and first excited states of the quartic, sextic and octic potentials with high precision, comparing the results with other techniques available in the literature

  4. Anharmonicity of lattice vibrations induced by charged nickel additions in A sup 2 B sup 6 semiconductors

    CERN Document Server

    Sokolov, V I; Shirokov, E A; Kislov, A N

    2002-01-01

    Paper presents the results of investigations into lattice vibrations induced by nickel impurities charged negatively as to the lattice in ZnSe:Ni, ZnO:Ni, ZnS:Ni, CdS:Ni semiconductors. To investigate into vibrations one applies a sensitive technique of field exciton-oscillation spectroscopy. One observes experimentally oscillating reiterations of the impurity exciton head line including the intensive peaks of combined repetitions up to the 8-th order. The experimental results are discussed on the basis of the model estimations of oscillations of a lattice with a charged impurity centre, as well as, on the ground of calculations for oscillations of monoatomic chain with high anharmonicity. Charged impurity centres are shown to induce new oscillations of lattice - impurity anharmonic modes

  5. Bizarre behavior of heat capacity in crystals due to interplay between two types of anharmonicities.

    Science.gov (United States)

    Yurchenko, Stanislav O; Komarov, Kirill A; Kryuchkov, Nikita P; Zaytsev, Kirill I; Brazhkin, Vadim V

    2018-04-07

    The heat capacity of classical crystals is determined by the Dulong-Petit value C V ≃ D (where D is the spatial dimension) for softly interacting particles and has the gas-like value C V ≃ D/2 in the hard-sphere limit, while deviations are governed by the effects of anharmonicity. Soft- and hard-sphere interactions, which are associated with the enthalpy and entropy of crystals, are specifically anharmonic owing to violation of a linear relation between particle displacements and corresponding restoring forces. Here, we show that the interplay between these two types of anharmonicities unexpectedly induces two possible types of heat capacity anomalies. We studied thermodynamics, pair correlations, and collective excitations in 2D and 3D crystals of particles with a limited range of soft repulsions to prove the effect of interplay between the enthalpy and entropy types of anharmonicities. The observed anomalies are triggered by the density of the crystal, changing the interaction regime in the zero-temperature limit, and can provide about 10% excess of the heat capacity above the Dulong-Petit value. Our results facilitate understanding effects of complex anharmonicity in molecular and complex crystals and demonstrate the possibility of new effects due to the interplay between different types of anharmonicities.

  6. Exact solutions and ladder operators for a new anharmonic oscillator

    International Nuclear Information System (INIS)

    Dong Shihai; Sun Guohua; Lozada-Cassou, M.

    2005-01-01

    In this Letter, we propose a new anharmonic oscillator and present the exact solutions of the Schrodinger equation with this oscillator. The ladder operators are established directly from the normalized radial wave functions and used to evaluate the closed expressions of matrix elements for some related functions. Some comments are made on the general calculation formula and recurrence relation for off-diagonal matrix elements. Finally, we show that this anharmonic oscillator possesses a hidden symmetry between E(r) and E(ir) by substituting r->ir

  7. Quantum theory of anharmonic oscillators

    International Nuclear Information System (INIS)

    Yamazaki, K.; Kyoto Univ.

    1983-01-01

    This in investigation of an anharmonic oscillator characterized by the potential ωsub(o) 2 /2 g 2 + lambda'q 4 . By using the equations of motion and the relations obtained by evaluating where O is an arbitrary operator, H is our total Hamiltonian and |i> and |j> are exact eigenstates of H, we derive an exact recurrence formula. This formula allows us to express tau-functions with a higher power of the variables through tau-functions with a lower power of the variables and energy eigenvalues. In this way we derive several exact relations, which are, in a sense, generalizations of the virial theorem and sum rules. These exact relations are the central equations of this paper. On the basis of these exact relations we propose our 'nearest neighbour level' (N.N.L.) approximation, which seems to provide a good approximation scheme. We can also use our exact relations to test the validity of various approximation methods, and as an example, we discuss the 'New-Tamm-Dancoff' (N.T.D)-type of approximation in detail. (Author)

  8. Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulationss

    KAUST Repository

    Carignano, Marcelo Andrés

    2017-09-05

    We present a systematic study based on first principles molecular dynamics simulations of lead iodide perovskites with three different cations, including methylammonium (MA), formamidinium (FA) and cesium. Using the high temperature perovskite structure as a reference, we investigate the instabilities that develop as the material is cooled down to 370 K. All three perovskites display anharmonicity in the motion of the iodine atoms, with the stronger effect observed for the MAPbI$_3$ and CsPbI$_3$. At high temperature, this behavior can be traced back to the reduced effective size of the Cs$^+$ and MA$^+$ cations. MAPbI$_3$ undergoes a spontaneous phase transition within our simulation model driven by the dipolar interaction between neighboring MA cations as the temperature is decreased from 450 K. The reverse transformation from tetragonal to cubic is also monitored through the large distribution of the octahedral tilting angles accompanied by an increase in the anharmonicity of the iodine atoms motion. Both MA and FA hybrid perovskites show a strong coupling between the molecular orientations and the local lattice deformations, suggesting mixed order-disorder/displacive characters of the high temperature phase transitions.

  9. Scattering of Neutrons by an Anharmonic Crystal

    Energy Technology Data Exchange (ETDEWEB)

    Hoegberg, T; Bohlin, L; Ebbsjoe, I

    1967-04-15

    Numerical calculations have been performed for the anharmonic effects in neutron scattering. The phonon frequency widths and shifts have been calculated as a function of neutron frequency at different wave numbers and temperatures for a potential with central symmetry and for a face-centered cubic lattice.

  10. Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress

    OpenAIRE

    Monserrat, Bartomeu; Drummond, N. D.; Needs, R. J.

    2013-01-01

    A unified approach is used to study vibrational properties of periodic systems with first-principles methods and including anharmonic effects. Our approach provides a theoretical basis for the determination of phonon-dependent quantities at finite temperatures. The low-energy portion of the Born-Oppenheimer energy surface is mapped and used to calculate the total vibrational energy including anharmonic effects, electron-phonon coupling, and the vibrational contribution to the stress tensor. W...

  11. E x circle epsilon Jahn-Teller anharmonic coupling for an octahedral system

    CERN Document Server

    Avram, N M; Kibler, M R

    2001-01-01

    The coupling between doubly degenerate electronic states and doubly degenerate vibrations is analyzed for an octahedral system on the basis of the introduction of an anharmonic Morse potential for the vibronic part. The vibrations are described by anharmonic coherent states and their linear coupling with the electronic states is considered. The matrix elements of the vibronic interaction are built and the energy levels corresponding to the interaction Hamiltonian are derived.

  12. Anharmonic Vibrational Spectroscopy on Metal Transition Complexes

    Science.gov (United States)

    Latouche, Camille; Bloino, Julien; Barone, Vincenzo

    2014-06-01

    Advances in hardware performance and the availability of efficient and reliable computational models have made possible the application of computational spectroscopy to ever larger molecular systems. The systematic interpretation of experimental data and the full characterization of complex molecules can then be facilitated. Focusing on vibrational spectroscopy, several approaches have been proposed to simulate spectra beyond the double harmonic approximation, so that more details become available. However, a routine use of such tools requires the preliminary definition of a valid protocol with the most appropriate combination of electronic structure and nuclear calculation models. Several benchmark of anharmonic calculations frequency have been realized on organic molecules. Nevertheless, benchmarks of organometallics or inorganic metal complexes at this level are strongly lacking despite the interest of these systems due to their strong emission and vibrational properties. Herein we report the benchmark study realized with anharmonic calculations on simple metal complexes, along with some pilot applications on systems of direct technological or biological interest.

  13. Raman spectra of long chain hydrocarbons: anharmonic calculations, experiment and implications for imaging of biomembranes.

    Science.gov (United States)

    Šebek, Jiří; Pele, Liat; Potma, Eric O; Gerber, R Benny

    2011-07-28

    First-principles anharmonic vibrational calculations are carried out for the Raman spectrum of the C-H stretching bands in dodecane, and for the C-D bands in the deuterated molecule. The calculations use the Vibrational Self-Consistent Field (VSCF) algorithm. The results are compared with liquid-state experiments, after smoothing the isolated-molecule sharp-line computed spectra. Very good agreement between the computed and experimental results is found for the two systems. The combined theoretical and experimental results provide insights into the spectrum, elucidating the roles of symmetric and asymmetric CH(3) and CH(2) hydrogenic stretches. This is expected to be very useful for the interpretation of spectra of long-chain hydrocarbons. The results show that anharmonic effects on the spectrum are large. On the other hand, vibrational degeneracy effects seem to be rather modest at the resolution of the experiments. The degeneracy effects may have more pronounced manifestations in higher-resolution experiments. The results show that first-principles anharmonic vibrational calculations for hydrocarbons are feasible, in good agreement with experiment, opening the way for applications to many similar systems. The results may be useful for the analysis of CARS imaging of lipids, for which dodecane is a representative molecule. It is suggested that first-principles vibrational calculations may be useful also for CARS imaging of other systems. This journal is © the Owner Societies 2011

  14. Higher Order Expectations in Asset Pricing

    OpenAIRE

    Philippe BACCHETTA; Eric VAN WINCOOP

    2004-01-01

    We examine formally Keynes' idea that higher order beliefs can drive a wedge between an asset price and its fundamental value based on expected future payoffs. Higher order expectations add an additional term to a standard asset pricing equation. We call this the higher order wedge, which depends on the difference between higher and first order expectations of future payoffs. We analyze the determinants of this wedge and its impact on the equilibrium price. In the context of a dynamic noisy r...

  15. Anharmonic, dimensionality and size effects in phonon transport

    Science.gov (United States)

    Thomas, Iorwerth O.; Srivastava, G. P.

    2017-12-01

    We have developed and employed a numerically efficient semi- ab initio theory, based on density-functional and relaxation-time schemes, to examine anharmonic, dimensionality and size effects in phonon transport in three- and two-dimensional solids of different crystal symmetries. Our method uses third- and fourth-order terms in crystal Hamiltonian expressed in terms of a temperature-dependent Grüneisen’s constant. All input to numerical calculations are generated from phonon calculations based on the density-functional perturbation theory. It is found that four-phonon processes make important and measurable contribution to lattice thermal resistivity above the Debye temperature. From our numerical results for bulk Si, bulk Ge, bulk MoS2 and monolayer MoS2 we find that the sample length dependence of phonon conductivity is significantly stronger in low-dimensional solids.

  16. Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles

    Science.gov (United States)

    Ribeiro, Guilherme A. S.; Paulatto, Lorenzo; Bianco, Raffaello; Errea, Ion; Mauri, Francesco; Calandra, Matteo

    2018-01-01

    At room temperature, PbTe and SnTe are efficient thermoelectrics with a cubic structure. At low temperature, SnTe undergoes a ferroelectric transition with a critical temperature strongly dependent on the hole concentration, while PbTe is an incipient ferroelectric. By using the stochastic self-consistent harmonic approximation, we investigate the anharmonic phonon spectra and the occurrence of a ferroelectric transition in both systems. We find that vibrational spectra strongly depend on the approximation used for the exchange-correlation kernel in density-functional theory. If gradient corrections and the theoretical volume are employed, then the calculation of the phonon frequencies as obtained from the diagonalization of the free-energy Hessian leads to phonon spectra in good agreement with experimental data for both systems. In PbTe we evaluate the linear thermal expansion coefficient γ =2.3 ×10-5K-1 , finding it to be in good agreement with experimental value of γ =2.04 ×10-5K-1 . Furthermore, we study the phonon spectrum and we do reproduce the transverse optical mode phonon satellite detected in inelastic neutron scattering and the crossing between the transverse optical and the longitudinal acoustic modes along the Γ X direction. The phonon satellite becomes broader at high temperatures but its energy is essentially temperature independent, in agreement with experiments. We decompose the self-consistent harmonic free energy in second-, third-, and fourth-order anharmonic terms. We find that the third- and fourth-order terms are small. However, treating the third-order term perturbatively on top of the second-order self-consistent harmonic free energy overestimates the energy of the satellite associated with the transverse optical mode. On the contrary, a perturbative treatment on top of the harmonic Hamiltonian breaks down and leads to imaginary phonon frequencies already at 300 K. In the case of SnTe, we describe the occurrence of a ferroelectric

  17. Anharmonic phonons and the isotope effect in superconductivity

    International Nuclear Information System (INIS)

    Crespi, V.H.; Cohen, M.L.; Penn, D.R.

    1991-01-01

    Anharmonic interionic potentials are examined in an Einstein model to study the unusual isotope-effect exponents for the high-T c oxides. The mass dependences of the electron-phonon coupling constant λ and the average phonon frequency √ left-angle ω 2 right-angle are computed from weighted sums over the oscillator levels. The isotope-effect exponent is depressed below 1/2 by either a double-well potential or a potential with positive quadratic and quartic parts. Numerical solutions of Schroedinger's equation for double-well potentials produce λ's in the range 1.5--4 for a material with a vanishing isotope-effect parameter α. However, low phonon frequencies limit T c to roughly 15 K. A negative quartic perturbation to a harmonic well can increase α above 1/2. In the extreme-strong-coupling limit, α is 1/2, regardless of anharmonicity

  18. Proof of Nishida's Conjecture on Anharmonic Lattices

    Science.gov (United States)

    Rink, Bob

    2006-02-01

    We prove Nishida's 1971 conjecture stating that almost all low-energetic motions of the anharmonic Fermi-Pasta-Ulam lattice with fixed endpoints are quasi-periodic. The proof is based on the formal computations of Nishida, the KAM theorem, discrete symmetry considerations and an algebraic trick that considerably simplifies earlier results.

  19. Spherical anharmonic oscillator in self-similar approximation

    International Nuclear Information System (INIS)

    Yukalova, E.P.; Yukalov, V.I.

    1992-01-01

    The method of self-similar approximation is applied here for calculating the eigenvalues of the three-dimensional spherical anharmonic oscillator. The advantage of this method is in its simplicity and high accuracy. The comparison with other known analytical methods proves that this method is more simple and accurate. 25 refs

  20. Anharmonic phonons and magnons in BiFeO3

    Energy Technology Data Exchange (ETDEWEB)

    Delaire, Olivier A [ORNL; Ma, Jie [ORNL; Stone, Matthew B [ORNL; Huq, Ashfia [ORNL; Gout, Delphine J [ORNL; Brown, Craig [National Institute of Standards and Technology (NIST); Wang, Kefeng [Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing; Ren, Zhifeng [Boston College, Chestnut Hill

    2012-01-01

    The phonon density of states (DOS) and magnetic excitation spectrum of polycrystalline BiFeO3 were measured for temperatures 200 < T < 750K , using inelastic neutron scattering (INS). Our results indicate that the magnetic spectrum of BiFeO3 closely resembles that of similar Fe perovskites, such as LaFeO3, despite the cycloid modulation in BiFeO3. We do not find any evidence for a spin gap. A strong T-dependence of the phonon DOS was found, with a marked broadening of the whole spectrum, providing evidence of strong anharmonicity. This anharmonicity is corroborated by large amplitude motions of Bi and O ions observed with neutron diffraction. These results highlight the importance of spin-phonon coupling in this material.

  1. Dirac bound states of anharmonic oscillator in external fields

    International Nuclear Information System (INIS)

    Hamzavi, Majid; Ikhdair, Sameer M.; Falaye, Babatunde J.

    2014-01-01

    We explore the effect of the external magnetic and Aharonov–Bohm (AB) flux fields on the energy levels of Dirac particle subjects to mixed scalar and vector anharmonic oscillator field in the two-dimensional (2D) space. We calculate the exact energy eigenvalues and the corresponding un-normalized two-spinor-components wave functions in terms of the chemical potential parameter, magnetic field strength, AB flux field and magnetic quantum number by using the Nikiforov–Uvarov (NU) method. -- Highlights: • Effect of the external fields on the energy levels of Dirac particle with the anharmonic oscillator is investigated. • The solutions are discussed in view of spin and pseudospin symmetries limits. • The energy levels and wave function are presented by the Nikiforov–Uvarov method

  2. Vibrational spectroscopy of the G...C base pair: Experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings

    Czech Academy of Sciences Publication Activity Database

    Brauer, B.; Gerber, R. B.; Kabeláč, Martin; Hobza, Pavel; Bakker, J. M.; Abo-Riziq, A.; Vries de, M. S.

    2005-01-01

    Roč. 109, - (2005), s. 6974-6984 ISSN 1089-5639 Grant - others:NSF(US) CHE-0244341 Institutional research plan: CEZ:AV0Z40550506 Keywords : nucleic acids bases * vibrational spectrum * frequencies anharmonicity Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.898, year: 2005

  3. Order-sorted Algebraic Specifications with Higher-order Functions

    DEFF Research Database (Denmark)

    Haxthausen, Anne Elisabeth

    1995-01-01

    This paper gives a proposal for how order-sorted algebraic specification languages can be extended with higher-order functions. The approach taken is a generalisation to the order-sorted case of an approach given by Mller, Tarlecki and Wirsing for the many-sorted case. The main idea in the proposal...

  4. The effects of static quartic anharmonicity on the quantum dynamics of a linear oscillator with time-dependent harmonic frequency: Perturbative analysis and numerical calculations

    International Nuclear Information System (INIS)

    Sarkar, P.; Bhattacharyya, S.P.

    1995-01-01

    The effects of quartic anharmonicity on the quantum dynamics of a linear oscillator with time-dependent force constant (K) or harmonic frequency (ω) are studied both perturbatively and numerically by the time-dependent Fourier grid Hamiltonian method. In the absence of anharmonicity, the ground-state population decreases and the population of an accessible excited state (k = 2.4, 6 ... ) increases with time. However, when anharmonicity is introduced, both the ground- and excited-state populations show typical oscillations. For weak coupling, the population of an accessible excited state at a certain instant of time (short) turns out to be a parabolic function of the anharmonic coupling constant (λ), when all other parameters of the system are kept fixed. This parabolic nature of the excited-state population vs. the λ profile is independent of the specific form of the time dependence of the force constant, K t . However, it depends upon the rate at which K t relaxes. For small anharmonic coupling strength and short time scales, the numerical results corroborate expectations based on the first-order time-dependent perturbative analysis, using a suitably repartitioned Hamiltonian that makes H 0 time-independent. Some of the possible experimental implications of our observations are analyzed, especially in relation to intensity oscillations observed in some charge-transfer spectra in systems in which the dephasing rates are comparable with the time scale of the electron transfer. 21 refs., 7 figs., 1 tab

  5. Higher-Order Hierarchies

    DEFF Research Database (Denmark)

    Ernst, Erik

    2003-01-01

    This paper introduces the notion of higher-order inheritance hierarchies. They are useful because they provide well-known benefits of object-orientation at the level of entire hierarchies-benefits which are not available with current approaches. Three facets must be adressed: First, it must be po...

  6. First-principles study of anharmonic phonon effects in tetrahedral semiconductors via an external electric field

    Energy Technology Data Exchange (ETDEWEB)

    Dabiri, Zohreh, E-mail: z.dabiri@stu.yazd.ac.ir [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of); Kazempour, Ali [Department of Physics, Payame Noor University, P.O. BOX 119395-3697, Tehran (Iran, Islamic Republic of); Nano Structured Coatings Institute of Yazd Payame Noor University, P.O. Code 89431-74559, Yazd (Iran, Islamic Republic of); Sadeghzadeh, Mohammad Ali [Physics Department, Yazd University, P.O. Box 89195-741, Yazd (Iran, Islamic Republic of)

    2016-11-15

    The strength of phonon anharmonicity is investigated in the framework of the Density Functional Perturbation Theory via an applied constant electric field. In contrast to routine approaches, we have employed the electric field as an effective probe to quest after the quasi-harmonic and anharmonic effects. Two typical tetrahedral semiconductors (diamond and silicon) have been selected to test the efficiency of this approach. In this scheme the applied field is responsible for establishing the perturbation and also inducing the anharmonicity in systems. The induced polarization is a result of changing the electronic density while ions are located at their ground state coordinates or at a specified strain. Employing this method, physical quantities of the semiconductors are calculated in presence of the electron–phonon interaction directly and, phonon–phonon interaction, indirectly. The present approach, which is in good agreement with previous theoretical and experimental studies, can be introduced as a benchmark to simply investigate the anharmonicity and pertinent consequences in materials.

  7. Terahertz generation via laser coupling to anharmonic carbon nanotube array

    Science.gov (United States)

    Sharma, Soni; Vijay, A.

    2018-02-01

    A scheme of terahertz radiation generation employing a matrix of anharmonic carbon nanotubes (CNTs) embedded in silica is proposed. The matrix is irradiated by two collinear laser beams that induce large excursions on CNT electrons and exert a nonlinear force at the beat frequency ω = ω1-ω2. The force derives a nonlinear current producing THz radiation. The THz field is resonantly enhanced at the plasmon resource, ω = ω p ( 1 + β ) / √{ 2 } , where ωp is the plasma frequency and β is a characteristic parameter. Collisions are a limiting factor, suppressing the plasmon resonance. For typical values of plasma parameters, we obtain power conversion efficiency of the order of 10-6.

  8. Improved models of dense anharmonic lattices

    Energy Technology Data Exchange (ETDEWEB)

    Rosenau, P., E-mail: rosenau@post.tau.ac.il; Zilburg, A.

    2017-01-15

    We present two improved quasi-continuous models of dense, strictly anharmonic chains. The direct expansion which includes the leading effect due to lattice dispersion, results in a Boussinesq-type PDE with a compacton as its basic solitary mode. Without increasing its complexity we improve the model by including additional terms in the expanded interparticle potential with the resulting compacton having a milder singularity at its edges. A particular care is applied to the Hertz potential due to its non-analyticity. Since, however, the PDEs of both the basic and the improved model are ill posed, they are unsuitable for a study of chains dynamics. Using the bond length as a state variable we manipulate its dispersion and derive a well posed fourth order PDE. - Highlights: • An improved PDE model of a Newtonian lattice renders compacton solutions. • Compactons are classical solutions of the improved model and hence amenable to standard analysis. • An alternative well posed model enables to study head on interactions of lattices' solitary waves. • Well posed modeling of Hertz potential.

  9. Squeezing and other non-classical features in k-photon anharmonic oscillator in binomial and negative binomial states of the field

    International Nuclear Information System (INIS)

    Joshi, A.; Lawande, S.V.

    1990-01-01

    A systematic study of squeezing obtained from k-photon anharmonic oscillator (with interaction hamiltonian of the form (a † ) k , k ≥ 2) interacting with light whose statistics can be varied from sub-Poissonian to poissonian via binomial state of field and super-Poissonian to poissonian via negative binomial state of field is presented. The authors predict that for all values of k there is a tendency increase in squeezing with increased sub-Poissonian character of the field while the reverse is true with super-Poissonian field. They also present non-classical behavior of the first order coherence function explicitly for k = 2 case (i.e., for two-photon anharmonic oscillator model used for a Kerr-like medium) with variation in the statistics of the input light

  10. Time evolution of gibbs states for an anharmonic lattice

    Energy Technology Data Exchange (ETDEWEB)

    Marchioro, C; Pellegrinotti, A; Suhov, Y [Camerino Univ. (Italy). Istituto di Matematica; Pulvirenti, M [L' Aquila Univ. (Italy). Istituto di Matematica; Rome Univ. (Italy). Istituto di Matematica)

    1979-01-01

    In this paper we study the time evolution of a regular class of states of an infinite classical system of anharmonic oscillators. The conditional probabilities are investigated and an explicit form for these is given.

  11. Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

    Science.gov (United States)

    Mansoori Kermani, Maryam; Dehestani, Maryam

    2018-06-01

    We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

  12. Anharmonic 1D actuator model including electrostatic and Casimir forces with fractional damping perturbed by an external force

    Science.gov (United States)

    Mansoori Kermani, Maryam; Dehestani, Maryam

    2018-03-01

    We modeled a one-dimensional actuator including the Casimir and electrostatic forces perturbed by an external force with fractional damping. The movable electrode was assumed to oscillate by an anharmonic elastic force originated from Murrell-Mottram or Lippincott potential. The nonlinear equations have been solved via the Adomian decomposition method. The behavior of the displacement of the electrode from equilibrium position, its velocity and acceleration were described versus time. Also, the changes of the displacement have been investigated according to the frequency of the external force and the voltage of the electrostatic force. The convergence of the Adomian method and the effect of the orders of expansion on the displacement versus time, frequency, and voltage were discussed. The pull-in parameter was obtained and compared with the other models in the literature. This parameter was described versus the equilibrium position and anharmonicity constant.

  13. Cooper-pair formation by anharmonic rattling modes in the β-pyrochlore superconductor KOs2O6

    Science.gov (United States)

    Chang, Jun; Eremin, Ilya; Thalmeier, Peter

    2009-05-01

    We study the influence of anharmonic rattling phonons in the β-pyrochlore superconductor KOs2O6 using the strong-coupling Eliashberg approach. In particular, by analyzing the specific heat data, we find that the rattling phonon frequency changes discontinuously at the critical temperature of the first-order phase transition. Solving the strong-coupling Eliashberg equations with effective temperature-dependent α2F(ω), we investigate the consequence of this first-order phase transition for the anomalous temperature dependence of the superconducting gap. We discuss our results in the context of the recent experimental data.

  14. Challenges in higher order mode Raman amplifiers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Nielsen, Kristian; Friis, Søren Michael Mørk

    2015-01-01

    A higher order Raman amplifier model that take random mode coupling into account ispresented. Mode dependent gain and signal power fluctuations at the output of the higher order modeRaman amplifier are discussed......A higher order Raman amplifier model that take random mode coupling into account ispresented. Mode dependent gain and signal power fluctuations at the output of the higher order modeRaman amplifier are discussed...

  15. HIGHER ORDER THINKING IN TEACHING GRAMMAR

    Directory of Open Access Journals (Sweden)

    Citra Dewi

    2017-04-01

    Full Text Available The aim of this paper discussed about how to enhance students’ higher order thinking that should be done by teacher in teaching grammar. Usually teaching grammar was boring and has the same way to learn like change the pattern of sentence into positive, negative and introgative while the students’ need more various way to develop their thinking. The outcome of students’ competence in grammar sometimes not sufficient enough when the students’ occured some test international standart like Test of English Foreign Language, International English Language Testing. Whereas in TOEFL test it needed higher order thinking answer, so teacher should develop students’ higher order thingking in daily teaching grammar in order to make the students’ enhance their thinking are higher. The method was used in this paper by using field study based on the experience of teaching grammar. It can be shown by students’ toefl score was less in stucture and written expression. The result of this paper was after teacher gave some treatments to enhance students’ higher order thinking in teaching grammar, the students’ toefl scores are sufficient enough as a part of stucture and written expression. It can concluded that it needed some strategies to enhancce students higher order thinking by teaching grammar it can make students’ higher toefl score. Teachers should be creative and inovative to teach the students’ started from giving the students’ question or test in teaching grammar.

  16. Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

    Energy Technology Data Exchange (ETDEWEB)

    Jasper, Ahren W. [Chemical Sciences and Engineering; Gruey, Zackery B. [Chemical Sciences and Engineering; Harding, Lawrence B. [Chemical Sciences and Engineering; Georgievskii, Yuri [Chemical Sciences and Engineering; Klippenstein, Stephen J. [Chemical Sciences and Engineering; Wagner, Albert F. [Chemical Sciences and Engineering

    2018-02-03

    Monte Carlo phase space integration (MCPSI) is used to compute full dimensional and fully anharmonic, but classical, rovibrational partition functions for 22 small- and medium-sized molecules and radicals. Several of the species considered here feature multiple minima and low-frequency nonlocal motions, and efficiently sampling these systems is facilitated using curvilinear (stretch, bend, and torsion) coordinates. The curvilinear coordinate MCPSI method is demonstrated to be applicable to the treatment of fluxional species with complex rovibrational structures and as many as 21 fully coupled rovibrational degrees of freedom. Trends in the computed anharmonicity corrections are discussed. For many systems, rovibrational anharmonicities at elevated temperatures are shown to vary consistently with the number of degrees of freedom and with temperature once rovibrational coupling and torsional anharmonicity are accounted for. Larger corrections are found for systems with complex vibrational structures, such as systems with multiple large-amplitude modes and/or multiple minima.

  17. Phonon anharmonicity and Gruneisen parameters of alpha-plutonium

    International Nuclear Information System (INIS)

    Filanovich, A.N.; Povzner, A.A.

    2015-01-01

    A self-consistent thermodynamic model of alpha-phase of plutonium is constructed. The calculations of thermal and elastic properties of α-Pu, carried out within this model, demonstrate that anomalously strong temperature dependence of the bulk modulus and unusually high value of the coefficient of thermal expansion of α-Pu are caused by its strong lattice anharmonicity. The isothermal and isobaric Gruneisen parameters of α-Pu and δ-Pu Pu_0_._9_6Ga_0_._0_4 are calculated. It is shown that wide spread of the values of Gruneisen parameter of α-Pu, obtained previously from different experimental data, is explained by the dependence of Gruneisen parameter of α-Pu on temperature. - Highlights: • A self-consistent thermodynamic model of alpha-plutonium is developed. • Thermal and elastic properties of alpha-plutonium are calculated. • The reason of spread in the values of Gruneisen parameter of alpha-Pu is established. • Different types of phonon anharmonicity in alpha-Pu and delta-Pu are revealed.

  18. Time evolution of gibbs states for an anharmonic lattice

    International Nuclear Information System (INIS)

    Marchioro, C.; Pellegrinotti, A.; Suhov, Y.; Pulvirenti, M.; Rome Univ.

    1979-01-01

    In this paper we study the time evolution of a regular class of states of an infinite classical system of anharmonic oscillators. The conditional probabilities are investigated and an explicit form for these is given. (orig.) [de

  19. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.

    Science.gov (United States)

    Danecek, Petr; Kapitán, Josef; Baumruk, Vladimír; Bednárová, Lucie; Kopecký, Vladimír; Bour, Petr

    2007-06-14

    The difference spectroscopy of the Raman optical activity (ROA) provides extended information about molecular structure. However, interpretation of the spectra is based on complex and often inaccurate simulations. Previously, the authors attempted to make the calculations more robust by including the solvent and exploring the role of molecular flexibility for alanine and proline zwitterions. In the current study, they analyze the IR, Raman, and ROA spectra of these molecules with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction (VCI), and degeneracy-corrected perturbation calculations. The harmonic approach appeared satisfactory for most of the lower-wavelength (200-1800 cm(-1)) vibrations. Modern generalized gradient approximation and hybrid density functionals, such as the common B3LYP method, provided a very good statistical agreement with the experiment. Although the inclusion of the anharmonic corrections still did not lead to complete agreement between the simulations and the experiment, occasional enhancements were achieved across the entire region of wave numbers. Not only the transitional frequencies of the C-H stretching modes were significantly improved but also Raman and ROA spectral profiles including N-H and C-H lower-frequency bending modes were more realistic after application of the VCI correction. A limited Boltzmann averaging for the lowest-frequency modes that could not be included directly in the anharmonic calculus provided a realistic inhomogeneous band broadening. The anharmonic parts of the intensity tensors (second dipole and polarizability derivatives) were found less important for the entire spectral profiles than the force field anharmonicities (third

  20. Accurate energy levels for the anharmonic oscillator and a summable series for the double-well potential in perturbation theory

    International Nuclear Information System (INIS)

    Caswell, W.E.

    1979-01-01

    We introduce a generalization of Wick-ordering which maps the anharmonic oscillator (AO) Hamiltonian for mass m and coupling lambda exactly into a ''Wick-ordered'' Hamiltonian with an effective mass M which is a simple analytic function of lambda and m. The effective coupling Λ=lambda/M 3 is bounded. We transform the AO perturbation series in lambda into one in Λ. This series may then be summed using Borel summation methods. We also introduce a new summation method for the AO series (which is a practical necessity to obtain accurate energy levels of the excited states). We obtain a numerical accuracy for (E/sub P/T--E/sub e/xact)/ E/sub e/xact of at least 10 -7 (using 20 orders of perturbation theory) and 10 -3 (using only 2 orders of perturbation theory) for all couplings and all energy levels of the anharmonic oscillator. The methods are applicable also to the double-well potential (DWP, the AO with a negative mass-squared). The only change is that now the effective coupling is unbounded as lambda→0. The series in Λ is, however, still summable. The relative accuracy in the energy levels for 20 orders of perturbation theory varies from 10 -7 for large coupling to 1% at lambda=0.1 and to 10% at lambda=.05. We also present results for the sextic oscillator

  1. Variational random phase approximation for the anharmonic oscillator

    International Nuclear Information System (INIS)

    Dukelsky, J.; Schuck, P.

    1990-04-01

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

  2. Anharmonic behavior and structural phase transition in Yb2O3

    Directory of Open Access Journals (Sweden)

    Sugandha Dogra Pandey

    2013-12-01

    Full Text Available The investigation of structural phase transition and anharmonic behavior of Yb2O3 has been carried out by high-pressure and temperature dependent Raman scattering studies respectively. In situ Raman studies under high pressure were carried out in a diamond anvil cell at room temperature which indicate a structural transition from cubic to hexagonal phase at and above 20.6 GPa. In the decompression cycle, Yb2O3 retained its high pressure phase. We have observed a Stark line in the Raman spectra at 337.5 cm−1 which arises from the electronic transition between 2F5/2 and 2F7/2 multiplates of Yb3+ (4f13 levels. These were followed by temperature dependent Raman studies in the range of 80–440 K, which show an unusual mode hardening with increasing temperature. The hardening of the most dominant mode (Tg + Ag was analyzed in light of the theory of anharmonic phonon-phonon interaction and thermal expansion of the lattice. Using the mode Grüneisen parameter obtained from high pressure Raman measurements; we have calculated total anharmonicity of the Tg + Ag mode from the temperature dependent Raman data.

  3. Higher-Order Program Generation

    DEFF Research Database (Denmark)

    Rhiger, Morten

    for OCaml, a dialect of ML, that provides run-time code generation for OCaml programs. We apply these byte-code combinators in semantics-directed compilation for an imperative language and in run-time specialization using type-directed partial evaluation. Finally, we present an approach to compiling goal......This dissertation addresses the challenges of embedding programming languages, specializing generic programs to specific parameters, and generating specialized instances of programs directly as executable code. Our main tools are higher-order programming techniques and automatic program generation....... It is our thesis that they synergize well in the development of customizable software. Recent research on domain-specific languages propose to embed them into existing general-purpose languages. Typed higher-order languages have proven especially useful as meta languages because they provide a rich...

  4. Frontiers of higher order fuzzy sets

    CERN Document Server

    Tahayori, Hooman

    2015-01-01

    Frontiers of Higher Order Fuzzy Sets, strives to improve the theoretical aspects of general and Interval Type-2 fuzzy sets and provides a unified representation theorem for higher order fuzzy sets. Moreover, the book elaborates on the concept of gradual elements and their integration with the higher order fuzzy sets. This book also introduces new frameworks for information granulation based on general T2FSs, IT2FSs, Gradual elements, Shadowed sets and rough sets. In particular, the properties and characteristics of the new proposed frameworks are studied. Such new frameworks are shown to be more capable to be exploited in real applications. Higher order fuzzy sets that are the result of the integration of general T2FSs, IT2FSs, gradual elements, shadowed sets and rough sets will be shown to be suitable to be applied in the fields of bioinformatics, business, management, ambient intelligence, medicine, cloud computing and smart grids. Presents new variations of fuzzy set frameworks and new areas of applicabili...

  5. Non-Gaussian wave packet dynamics in anharmonic potential: Cumulant expansion treatment

    International Nuclear Information System (INIS)

    Toutounji, Mohamad

    2015-01-01

    This manuscript utilizes cumulant expansion as an alternative algebraic approach to evaluating integrals and solving a system of nonlinear differential equations for probing anharmonic dynamics in condensed phase systems using Morse oscillator. These integrals and differential equations become harder to solve as the anharmonicity of the system goes beyond that of Morse oscillator description. This algebraic approach becomes critically important in case of Morse oscillator as it tends to exhibit divergent dynamics and numerical uncertainties at low temperatures. The autocorrelation function is calculated algebraically and compared to the exact one for they match perfectly. It is also compared to the approximate autocorrelation function using the differential equations technique reported in Toutounji (2014) for weak and strong electron–phonon coupling cases. It is found that the present cumulant method is more efficient, and easier to use, than the exact expression. Deviation between the approximate autocorrelation function and the exact autocorrelation function starts to arise as the electron–phonon coupling strength increases. The autocorrelation function obtained using cumulants identically matches the exact autocorrelation function, thereby surpassing the approach presented in Toutounji (2014). The advantage of the present methodology is its applicability to various types of electron–phonon coupling cases. Additionally, the herein approach only uses algebraic techniques, thereby avoiding both the divergence integral and solving a set of linear first- and second-order partial differential equations as was done in previous work. Model calculations are presented to demonstrate the accuracy of the herein work

  6. Accurate Anharmonic Zero-Point Energies for Some Combustion-Related Species from Diffusion Monte Carlo.

    Science.gov (United States)

    Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J

    2017-06-08

    Full-dimensional analytic potential energy surfaces based on CCSD(T)/cc-pVTZ calculations have been determined for 48 small combustion-related molecules. The analytic surfaces have been used in Diffusion Monte Carlo calculations of the anharmonic zero-point energies. The resulting anharmonicity corrections are compared to vibrational perturbation theory results based both on the same level of electronic structure theory and on lower-level electronic structure methods (B3LYP and MP2).

  7. Higher order harmonics of reactor neutron equation

    International Nuclear Information System (INIS)

    Li Fu; Hu Yongming; Luo Zhengpei

    1996-01-01

    The flux mapping method using the higher order harmonics of the neutron equation is proposed. Based on the bi-orthogonality of the higher order harmonics, the process and formulas for higher order harmonics calculation are derived via the source iteration method with source correction. For the first time, not only any order harmonics for up-to-3-dimensional geometry are achieved, but also the preliminary verification to the capability for flux mapping have been carried out

  8. XY model with higher-order exchange.

    Science.gov (United States)

    Žukovič, Milan; Kalagov, Georgii

    2017-08-01

    An XY model, generalized by inclusion of up to an infinite number of higher-order pairwise interactions with an exponentially decreasing strength, is studied by spin-wave theory and Monte Carlo simulations. At low temperatures the model displays a quasi-long-range-order phase characterized by an algebraically decaying correlation function with the exponent η=T/[2πJ(p,α)], nonlinearly dependent on the parameters p and α that control the number of the higher-order terms and the decay rate of their intensity, respectively. At higher temperatures the system shows a crossover from the continuous Berezinskii-Kosterlitz-Thouless to the first-order transition for the parameter values corresponding to a highly nonlinear shape of the potential well. The role of topological excitations (vortices) in changing the nature of the transition is discussed.

  9. Harmonic and Anharmonic Behaviour of a Simple Oscillator

    Science.gov (United States)

    O'Shea, Michael J.

    2009-01-01

    We consider a simple oscillator that exhibits harmonic and anharmonic regimes and analyse its behaviour over the complete range of possible amplitudes. The oscillator consists of a mass "m" fixed at the midpoint of a horizontal rope. For zero initial rope tension and small amplitude the period of oscillation, tau, varies as tau is approximately…

  10. Two-step approach to the dynamics of coupled anharmonic oscillators

    International Nuclear Information System (INIS)

    Chung, N. N.; Chew, L. Y.

    2009-01-01

    We have further extended the two-step approach developed by Chung and Chew [N. N. Chung and L. Y. Chew, Phys. Rev. A 76, 032113 (2007)] to the solution of the quantum dynamics of general systems of N-coupled anharmonic oscillators. The idea is to employ an optimized basis set to represent the dynamical quantum states of these oscillator systems. The set is generated via the action of the optimized Bogoliubov transformed bosonic operators on the optimal squeezed vacuum product state. The procedure requires (i) applying the two-step approach to the eigendecomposition of the time evolution operator and (ii) transforming the representation of the initial state from the original to the optimal bases. We have applied the formalism to examine the dynamics of squeezing and entanglement of several anharmonic oscillator systems.

  11. Higher-Order Minimal Functional Graphs

    DEFF Research Database (Denmark)

    Jones, Neil D; Rosendahl, Mads

    1994-01-01

    We present a minimal function graph semantics for a higher-order functional language with applicative evaluation order. The semantics captures the intermediate calls performed during the evaluation of a program. This information may be used in abstract interpretation as a basis for proving...

  12. Anharmonic vibrational modes of chemisorbed H on the Rh(001) surface

    International Nuclear Information System (INIS)

    Hamann, D.R.; Feibelman, P.J.

    1988-01-01

    The potential for H atoms in the vicinity of the fourfold hollow chemisorption site on the Rh(001) surface at monolayer coverage is calculated using local-density-functional theory, and the linear-augmented-plane-wave method. The potential is found to contain important anharmonic components, one that couples parallel and perpendicular motion, and another producing azimuthal anisotropy. Variational solutions are found for the ground and low-lying excited states of H and D in this potential. The fundamental asymmetric- and symmetric-stretch H vibrational excitations are found to have energies of 67 and 92 meV. The latter agrees with recent experimental results, and higher-lying experimental modes are interpreted as mixed excitations. Comparisons are made with spring-constant models, calculated potentials for H on Ni and Pd(001), and theories of Bloch states for H on Ni

  13. Higher-Order Generalized Invexity in Control Problems

    Directory of Open Access Journals (Sweden)

    S. K. Padhan

    2011-01-01

    Full Text Available We introduce a higher-order duality (Mangasarian type and Mond-Weir type for the control problem. Under the higher-order generalized invexity assumptions on the functions that compose the primal problems, higher-order duality results (weak duality, strong duality, and converse duality are derived for these pair of problems. Also, we establish few examples in support of our investigation.

  14. Anharmonic solution of Schrödinger time-independent equation

    Indian Academy of Sciences (India)

    243–261. Anharmonic solution of Schrödinger time-independent equation. MOHAMMED ASHRAFUL ISLAM1,2,∗ and JAMAL NAZRUL ISLAM1. 1Research Centre for Mathematical and Physical Sciences, University of Chittagong, Chittagong,. Bangladesh. 2Department of Mathematics, University of Chittagong, Chittagong, ...

  15. Neural classifiers for learning higher-order correlations

    International Nuclear Information System (INIS)

    Gueler, M.

    1999-01-01

    Studies by various authors suggest that higher-order networks can be more powerful and biologically more plausible with respect to the more traditional multilayer networks. These architecture make explicit use of nonlinear interactions between input variables in the form of higher-order units or product units. If it is known a priori that the problem to be implemented possesses a given set of invariances like in the translation, rotation, and scale invariant recognition problems, those invariances can be encoded, thus eliminating all higher-order terms which are incompatible with the invariances. In general, however, it is a serious set-back that the complexity of learning increases exponentially with the size of inputs. This paper reviews higher-order networks and introduces an implicit representation in which learning complexity is mainly decided by the number of higher-order terms to be learned and increases only linearly with the input size

  16. Neural Classifiers for Learning Higher-Order Correlations

    Science.gov (United States)

    Güler, Marifi

    1999-01-01

    Studies by various authors suggest that higher-order networks can be more powerful and are biologically more plausible with respect to the more traditional multilayer networks. These architectures make explicit use of nonlinear interactions between input variables in the form of higher-order units or product units. If it is known a priori that the problem to be implemented possesses a given set of invariances like in the translation, rotation, and scale invariant pattern recognition problems, those invariances can be encoded, thus eliminating all higher-order terms which are incompatible with the invariances. In general, however, it is a serious set-back that the complexity of learning increases exponentially with the size of inputs. This paper reviews higher-order networks and introduces an implicit representation in which learning complexity is mainly decided by the number of higher-order terms to be learned and increases only linearly with the input size.

  17. Higher order antibunching in intermediate states

    International Nuclear Information System (INIS)

    Verma, Amit; Sharma, Navneet K.; Pathak, Anirban

    2008-01-01

    Since the introduction of binomial state as an intermediate state, different intermediate states have been proposed. Different nonclassical effects have also been reported in these intermediate states. But till now higher order antibunching is predicted in only one type of intermediate state, which is known as shadowed negative binomial state. Recently we have shown that the higher order antibunching is not a rare phenomenon [P. Gupta, P. Pandey, A. Pathak, J. Phys. B 39 (2006) 1137]. To establish our earlier claim further, here we have shown that the higher order antibunching can be seen in different intermediate states, such as binomial state, reciprocal binomial state, hypergeometric state, generalized binomial state, negative binomial state and photon added coherent state. We have studied the possibility of observing the higher order subpoissonian photon statistics in different limits of intermediate states. The effects of different control parameters on the depth of non classicality have also been studied in this connection and it has been shown that the depth of nonclassicality can be tuned by controlling various physical parameters

  18. A Higher-Order Colon Translation

    DEFF Research Database (Denmark)

    Danvy, Olivier; Nielsen, Lasse Reichstein

    2001-01-01

    A lambda-encoding such as the CPS transformation gives rise to administrative redexes. In his seminal article ``Call-by-name, call-by-value and the lambda-calculus'', 25 years ago, Plotkin tackled administrative reductions using a so-called ``colon translation.'' 10 years ago, Danvy and Filinski...... integrated administrative reductions in the CPS transformation, making it operate in one pass. The technique applies to other lambda-encodings (e.g., variants of CPS), but we do not see it used in practice--instead, Plotkin's colon translation appears to be favored. Therefore, in an attempt to link both...... techniques, we recast Plotkin's proof of Indifference and Simulation to the higher-order specification of the one-pass CPS transformation. To this end, we extend his colon translation from first order to higher order...

  19. A Paraconsistent Higher Order Logic

    DEFF Research Database (Denmark)

    Villadsen, Jørgen

    2004-01-01

    of paraconsistent logics in knowledge-based systems, logical semantics of natural language, etc. Higher order logics have the advantages of being expressive and with several automated theorem provers available. Also the type system can be helpful. We present a concise description of a paraconsistent higher order...... of the logic is examined by a case study in the domain of medicine. Thus we try to build a bridge between the HOL and MVL communities. A sequent calculus is proposed based on recent work by Muskens. Many non-classical logics are, at the propositional level, funny toys which work quite good, but when one wants...

  20. Internal molecular dynamics of LaI3. I. Potential energy function of vibrational modes in harmonic and anharmonic approximations

    International Nuclear Information System (INIS)

    Giricheva, N.I.; Girichev, G.V.; Smorodin, S.V.

    2007-01-01

    Scanning of potential energy surface in the LaI 3 molecule along normal coordinates are realized using the B3LYP/SDD,SDD method. The most anharmonicity is shown to have a potential function of non-planar oscillation ν 2 (A 2 ''). Effect of anharmonicity on the value of mean-square oscillation amplitudes and oscillation spectrum of the molecule is established. It is noted that the account of anharmonicity of potential functions leads to decreasing mean-square oscillation amplitudes [ru

  1. Higher-order force gradient symplectic algorithms

    Science.gov (United States)

    Chin, Siu A.; Kidwell, Donald W.

    2000-12-01

    We show that a recently discovered fourth order symplectic algorithm, which requires one evaluation of force gradient in addition to three evaluations of the force, when iterated to higher order, yielded algorithms that are far superior to similarly iterated higher order algorithms based on the standard Forest-Ruth algorithm. We gauge the accuracy of each algorithm by comparing the step-size independent error functions associated with energy conservation and the rotation of the Laplace-Runge-Lenz vector when solving a highly eccentric Kepler problem. For orders 6, 8, 10, and 12, the new algorithms are approximately a factor of 103, 104, 104, and 105 better.

  2. Skinner-Rusk unified formalism for higher-order systems

    Science.gov (United States)

    Prieto-Martínez, Pedro Daniel; Román-Roy, Narciso

    2012-07-01

    The Lagrangian-Hamiltonian unified formalism of R. Skinner and R. Rusk was originally stated for autonomous dynamical systems in classical mechanics. It has been generalized for non-autonomous first-order mechanical systems, first-order and higher-order field theories, and higher-order autonomous systems. In this work we present a generalization of this formalism for higher-order non-autonomous mechanical systems.

  3. Spectra-structure correlations in NIR region: Spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol

    Science.gov (United States)

    Beć, Krzysztof B.; Grabska, Justyna; Czarnecki, Mirosław A.

    2018-05-01

    We investigated near-infrared (7500-4000 cm-1) spectra of n-hexanol, cyclohexanol and phenol in CCl4 (0.2 M) by using anharmonic quantum calculations. These molecules represent three major kinds of alcohols; linear and cyclic aliphatic, and aromatic ones. Vibrational second-order perturbation theory (VPT2) was employed to calculate the first overtones and binary combination modes and to reproduce the experimental NIR spectra. The level of conformational flexibility of these three alcohols varies from one stable conformer of phenol through four conformers of cyclohexanol to few hundreds conformers in the case of n-hexanol. To take into account the most relevant conformational population of n-hexanol, a systematic conformational search was performed. Accurate reproduction of the experimental NIR spectra was achieved and detailed spectra-structure correlations were obtained for these three alcohols. VPT2 approach provides less reliable description of highly anharmonic modes, i.e. OH stretching. In the present work this limitation was manifested in erroneous results yielded by VPT2 for 2νOH mode of cyclohexanol. To study the anharmonicity of this mode we solved the corresponding time-independent Schrödinger equation based on a dense-grid probing of the relevant vibrational potential. These results allowed for significant improvement of the agreement between the calculated and experimental 2νOH band of cyclohexanol. Various important biomolecules include similar structural units to the systems investigated here. A detailed knowledge on spectral properties of these three types of alcohols is therefore essential for advancing our understanding of NIR spectroscopy of biomolecules.

  4. Higher-order curvature terms and extended inflation

    International Nuclear Information System (INIS)

    Wang Yun

    1990-01-01

    We consider higher-order curvature terms in context of the Brans-Dicke theory of gravity, and investigate the effects of these terms on extended inflationary theories. We find that the higher-order curvature terms tend to speed up inflation, although the original extended-inflation solutions are stable when these terms are small. Analytical solutions are found for two extreme cases: when the higher-order curvature terms are small, and when they dominate. A conformal transformation is employed in solving the latter case, and some of the subtleties in this technique are discussed. We note that percolation is less likely to occur when the higher-order curvature terms are present. An upper bound on α is expected if we are to avoid excessive and inadequate percolation of true-vacuum bubbles

  5. Nonlinear (Anharmonic Casimir Oscillator

    Directory of Open Access Journals (Sweden)

    Habibollah Razmi

    2011-01-01

    Full Text Available We want to study the dynamics of a simple linear harmonic micro spring which is under the influence of the quantum Casimir force/pressure and thus behaves as a (an nonlinear (anharmonic Casimir oscillator. Generally, the equation of motion of this nonlinear micromechanical Casimir oscillator has no exact solvable (analytical solution and the turning point(s of the system has (have no fixed position(s; however, for particular values of the stiffness of the micro spring and at appropriately well-chosen distance scales and conditions, there is (are approximately sinusoidal solution(s for the problem (the variable turning points are collected in a very small interval of positions. This, as a simple and elementary plan, may be useful in controlling the Casimir stiction problem in micromechanical devices.

  6. Higher order mode optical fiber Raman amplifiers

    DEFF Research Database (Denmark)

    Rottwitt, Karsten; Friis, Søren Michael Mørk; Usuga Castaneda, Mario A.

    2016-01-01

    We review higher order mode Raman amplifiers and discuss recent theoretical as well as experimental results including system demonstrations.......We review higher order mode Raman amplifiers and discuss recent theoretical as well as experimental results including system demonstrations....

  7. Nonlocal higher order evolution equations

    KAUST Repository

    Rossi, Julio D.

    2010-06-01

    In this article, we study the asymptotic behaviour of solutions to the nonlocal operator ut(x, t)1/4(-1)n-1 (J*Id -1)n (u(x, t)), x ∈ ℝN, which is the nonlocal analogous to the higher order local evolution equation vt(-1)n-1(Δ)nv. We prove that the solutions of the nonlocal problem converge to the solution of the higher order problem with the right-hand side given by powers of the Laplacian when the kernel J is rescaled in an appropriate way. Moreover, we prove that solutions to both equations have the same asymptotic decay rate as t goes to infinity. © 2010 Taylor & Francis.

  8. Conceptualizing and Assessing Higher-Order Thinking in Reading

    Science.gov (United States)

    Afflerbach, Peter; Cho, Byeong-Young; Kim, Jong-Yun

    2015-01-01

    Students engage in higher-order thinking as they read complex texts and perform complex reading-related tasks. However, the most consequential assessments, high-stakes tests, are currently limited in providing information about students' higher-order thinking. In this article, we describe higher-order thinking in relation to reading. We provide a…

  9. Isotopic effects on phonon anharmonicity in layered van der Waals crystals: Isotopically pure hexagonal boron nitride

    Science.gov (United States)

    Cuscó, Ramon; Artús, Luis; Edgar, James H.; Liu, Song; Cassabois, Guillaume; Gil, Bernard

    2018-04-01

    Hexagonal boron nitride (h -BN) is a layered crystal that is attracting a great deal of attention as a promising material for nanophotonic applications. The strong optical anisotropy of this crystal is key to exploit polaritonic modes for manipulating light-matter interactions in 2D materials. h -BN has also great potential for solid-state neutron detection and neutron imaging devices, given the exceptionally high thermal neutron capture cross section of the boron-10 isotope. A good knowledge of phonons in layered crystals is essential for harnessing long-lived phonon-polariton modes for nanophotonic applications and may prove valuable for developing solid-state 10BN neutron detectors with improved device architectures and higher detection efficiencies. Although phonons in graphene and isoelectronic materials with a similar hexagonal layer structure have been studied, the effect of isotopic substitution on the phonons of such lamellar compounds has not been addressed yet. Here we present a Raman scattering study of the in-plane high-energy Raman active mode on isotopically enriched single-crystal h -BN. Phonon frequency and lifetime are measured in the 80-600-K temperature range for 10B-enriched, 11B-enriched, and natural composition high quality crystals. Their temperature dependence is explained in the light of perturbation theory calculations of the phonon self-energy. The effects of crystal anisotropy, isotopic disorder, and anharmonic phonon-decay channels are investigated in detail. The isotopic-induced changes in the phonon density of states are shown to enhance three-phonon anharmonic decay channels in 10B-enriched crystals, opening the possibility of isotope tuning of the anharmonic phonon decay processes.

  10. Phonon density of states and anharmonicity of UO2

    Science.gov (United States)

    Pang, Judy W. L.; Chernatynskiy, Aleksandr; Larson, Bennett C.; Buyers, William J. L.; Abernathy, Douglas L.; McClellan, Kenneth J.; Phillpot, Simon R.

    2014-03-01

    Phonon density of states (PDOS) measurements have been performed on polycrystalline UO2 at 295 and 1200 K using time-of-flight inelastic neutron scattering to investigate the impact of anharmonicity on the vibrational spectra and to benchmark ab initio PDOS simulations performed on this strongly correlated Mott insulator. Time-of-flight PDOS measurements include anharmonic linewidth broadening, inherently, and the factor of ˜7 enhancement of the oxygen spectrum relative to the uranium component by the increased neutron sensitivity to the oxygen-dominated optical phonon modes. The first-principles simulations of quasiharmonic PDOS spectra were neutron weighted and anharmonicity was introduced in an approximate way by convolution with wave-vector-weighted averages over our previously measured phonon linewidths for UO2, which are provided in numerical form. Comparisons between the PDOS measurements and the simulations show reasonable agreement overall, but they also reveal important areas of disagreement for both high and low temperatures. The discrepancies stem largely from a ˜10 meV compression in the overall bandwidth (energy range) of the oxygen-dominated optical phonons in the simulations. A similar linewidth-convoluted comparison performed with the PDOS spectrum of Dolling et al. obtained by shell-model fitting to their historical phonon dispersion measurements shows excellent agreement with the time-of-flight PDOS measurements reported here. In contrast, we show by comparisons of spectra in linewidth-convoluted form that recent first-principles simulations for UO2 fail to account for the PDOS spectrum determined from the measurements of Dolling et al. These results demonstrate PDOS measurements to be stringent tests for ab inito simulations of phonon physics in UO2 and they indicate further the need for advances in theory to address the lattice dynamics of UO2.

  11. Application of Mass Lumped Higher Order Finite Elements

    International Nuclear Information System (INIS)

    J. Chen, H.R. Strauss, S.C. Jardin, W. Park, L.E. Sugiyama, G. Fu, J. Breslau

    2005-01-01

    There are many interesting phenomena in extended-MHD such as anisotropic transport, mhd, 2-fluid effects stellarator and hot particles. Any one of them challenges numerical analysts, and researchers are seeking for higher order methods, such as higher order finite difference, higher order finite elements and hp/spectral elements. It is true that these methods give more accurate solution than their linear counterparts. However, numerically they are prohibitively expensive. Here we give a successful solution of this conflict by applying mass lumped higher order finite elements. This type of elements not only keep second/third order accuracy but also scale closely to linear elements by doing mass lumping. This is especially true for second order lump elements. Full M3D and anisotropic transport models are studied

  12. Higher-order techniques in computational electromagnetics

    CERN Document Server

    Graglia, Roberto D

    2016-01-01

    Higher-Order Techniques in Computational Electromagnetics explains 'high-order' techniques that can significantly improve the accuracy, computational cost, and reliability of computational techniques for high-frequency electromagnetics, such as antennas, microwave devices and radar scattering applications.

  13. An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library

    Science.gov (United States)

    Plata, Jose J.; Nath, Pinku; Usanmaz, Demet; Carrete, Jesús; Toher, Cormac; de Jong, Maarten; Asta, Mark; Fornari, Marco; Nardelli, Marco Buongiorno; Curtarolo, Stefano

    2017-10-01

    One of the most accurate approaches for calculating lattice thermal conductivity, , is solving the Boltzmann transport equation starting from third-order anharmonic force constants. In addition to the underlying approximations of ab-initio parameterization, two main challenges are associated with this path: high computational costs and lack of automation in the frameworks using this methodology, which affect the discovery rate of novel materials with ad-hoc properties. Here, the Automatic Anharmonic Phonon Library (AAPL) is presented. It efficiently computes interatomic force constants by making effective use of crystal symmetry analysis, it solves the Boltzmann transport equation to obtain , and allows a fully integrated operation with minimum user intervention, a rational addition to the current high-throughput accelerated materials development framework AFLOW. An "experiment vs. theory" study of the approach is shown, comparing accuracy and speed with respect to other available packages, and for materials characterized by strong electron localization and correlation. Combining AAPL with the pseudo-hybrid functional ACBN0 is possible to improve accuracy without increasing computational requirements.

  14. Higher order Lie-Baecklund symmetries of evolution equations

    International Nuclear Information System (INIS)

    Roy Chowdhury, A.; Roy Chowdhury, K.; Paul, S.

    1983-10-01

    We have considered in detail the analysis of higher order Lie-Baecklund symmetries for some representative nonlinear evolution equations. Until now all such symmetry analyses have been restricted only to the first order of the infinitesimal parameter. But the existence of Baecklund transformation (which can be shown to be an overall sum of higher order Lie-Baecklund symmetries) makes it necessary to search for such higher order Lie-Baecklund symmetries directly without taking recourse to the Baecklund transformation or inverse scattering technique. (author)

  15. Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Slenkamp, Karla M.; Lynch, Michael S.; Van Kuiken, Benjamin E.; Brookes, Jennifer F.; Bannan, Caitlin C.; Daifuku, Stephanie L.; Khalil, Munira, E-mail: mkhalil@chem.washington.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

    2014-02-28

    Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (ν{sub CN}) vibrations found in [(NH{sub 3}){sub 5}Ru{sup III}NCFe{sup II}(CN){sub 5}]{sup −} (FeRu) dissolved in D{sub 2}O and formamide and [(NC){sub 5}Fe{sup II}CNPt{sup IV}(NH{sub 3}){sub 4}NCFe{sup II}(CN){sub 5}]{sup 4−} (FePtFe) dissolved in D{sub 2}O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the ν{sub CN} modes in the electronic ground state. The FTIR spectra of the ν{sub CN} modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic ν{sub CN} modes. The vibrational mode anharmonicities of the individual ν{sub CN} modes range from 14 to 28 cm{sup −1}. The mixed-mode anharmonicities range from 2 to 14 cm{sup −1}. In general, the bridging ν{sub CN} mode is most weakly coupled to the radial ν{sub CN} mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four ν{sub CN} modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D{sub 2}O. The ν{sub CN} modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm{sup −1}. This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the ν{sub CN} modes in cyanide-bridged transition metal mixed valence complexes.

  16. Analogy, higher order thinking, and education.

    Science.gov (United States)

    Richland, Lindsey Engle; Simms, Nina

    2015-01-01

    Analogical reasoning, the ability to understand phenomena as systems of structured relationships that can be aligned, compared, and mapped together, plays a fundamental role in the technology rich, increasingly globalized educational climate of the 21st century. Flexible, conceptual thinking is prioritized in this view of education, and schools are emphasizing 'higher order thinking', rather than memorization of a cannon of key topics. The lack of a cognitively grounded definition for higher order thinking, however, has led to a field of research and practice with little coherence across domains or connection to the large body of cognitive science research on thinking. We review literature on analogy and disciplinary higher order thinking to propose that relational reasoning can be productively considered the cognitive underpinning of higher order thinking. We highlight the utility of this framework for developing insights into practice through a review of mathematics, science, and history educational contexts. In these disciplines, analogy is essential to developing expert-like disciplinary knowledge in which concepts are understood to be systems of relationships that can be connected and flexibly manipulated. At the same time, analogies in education require explicit support to ensure that learners notice the relevance of relational thinking, have adequate processing resources available to mentally hold and manipulate relations, and are able to recognize both the similarities and differences when drawing analogies between systems of relationships. © 2015 John Wiley & Sons, Ltd.

  17. The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting

    Science.gov (United States)

    Mukhopadhyay, Saikat; Bansal, Dipanshu; Delaire, Olivier; Perrodin, Didier; Bourret-Courchesne, Edith; Singh, David J.; Lindsay, Lucas

    2017-09-01

    Strongly anharmonic phonon properties of CuCl are investigated with inelastic neutron-scattering measurements and first-principles simulations. An unusual quasiparticle spectral peak emerges in the phonon density of states with increasing temperature, in both simulations and measurements, emanating from exceptionally strong coupling between conventional phonon modes. Associated with this strong anharmonicity, the lattice thermal conductivity of CuCl is extremely low and exhibits anomalous, nonmonotonic pressure dependence. We show how this behavior arises from the structure of the phonon dispersions augmenting the phase space available for anharmonic three-phonon scattering processes, and contrast this mechanism with common arguments based on negative Grüneisen parameters. These results demonstrate the importance of considering intrinsic phonon-dispersion structure toward understanding scattering processes and designing new ultralow thermal conductivity materials.

  18. Electromagnetic cloaking in higher order spherical cloaks

    Science.gov (United States)

    Sidhwa, H. H.; Aiyar, R. P. R. C.; Kulkarni, S. V.

    2017-06-01

    The inception of transformation optics has led to the realisation of the invisibility devices for various applications, one of which is spherical cloaking. In this paper, a formulation for a higher-order spherical cloak has been proposed to reduce its physical thickness significantly by introducing a nonlinear relation between the original and transformed coordinate systems and it has been verified using the ray tracing approach. Analysis has been carried out to observe the anomalies in the variation of refractive index for higher order cloaks indicating the presence of poles in the relevant equations. Furthermore, a higher-order spherical cloak with predefined values of the material characteristics on its inner and outer surfaces has been designed for practical application.

  19. Raman scattering study of the anharmonic effects in CeO2-y nanocrystals

    Science.gov (United States)

    Popović, Z. V.; Dohčević-Mitrović, Z.; Cros, A.; Cantarero, A.

    2007-12-01

    We have studied the temperature dependence of the F2g Raman mode phonon frequency and broadening in CeO2-y nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for nanosized CeO2 powders than in the bulk counterpart.

  20. Raman scattering study of the anharmonic effects in CeO2-y nanocrystals

    International Nuclear Information System (INIS)

    Popovic, Z V; Dohcevic-Mitrovic, Z; Cros, A; Cantarero, A

    2007-01-01

    We have studied the temperature dependence of the F 2g Raman mode phonon frequency and broadening in CeO 2-y nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for nanosized CeO 2 powders than in the bulk counterpart

  1. Higher-order Jordan Osserman pseudo-Riemannian manifolds

    International Nuclear Information System (INIS)

    Gilkey, Peter B; Ivanova, Raina; Zhang Tan

    2002-01-01

    We study the higher-order Jacobi operator in pseudo-Riemannian geometry. We exhibit a family of manifolds so that this operator has constant Jordan normal form on the Grassmannian of subspaces of signature (r, s) for certain values of (r, s). These pseudo-Riemannian manifolds are new and non-trivial examples of higher-order Osserman manifolds

  2. Higher-order Jordan Osserman pseudo-Riemannian manifolds

    Energy Technology Data Exchange (ETDEWEB)

    Gilkey, Peter B [Mathematics Department, University of Oregon, Eugene, OR 97403 (United States); Ivanova, Raina [Mathematics Department, University of Hawaii - Hilo, 200 W Kawili St, Hilo, HI 96720 (United States); Zhang Tan [Department of Mathematics and Statistics, Murray State University, Murray, KY 42071 (United States)

    2002-09-07

    We study the higher-order Jacobi operator in pseudo-Riemannian geometry. We exhibit a family of manifolds so that this operator has constant Jordan normal form on the Grassmannian of subspaces of signature (r, s) for certain values of (r, s). These pseudo-Riemannian manifolds are new and non-trivial examples of higher-order Osserman manifolds.

  3. Difference equations in massive higher order calculations

    International Nuclear Information System (INIS)

    Bierenbaum, I.; Bluemlein, J.; Klein, S.; Schneider, C.

    2007-07-01

    The calculation of massive 2-loop operator matrix elements, required for the higher order Wilson coefficients for heavy flavor production in deeply inelastic scattering, leads to new types of multiple infinite sums over harmonic sums and related functions, which depend on the Mellin parameter N. We report on the solution of these sums through higher order difference equations using the summation package Sigma. (orig.)

  4. Higher-order harmonics of general limited diffraction Bessel beams

    International Nuclear Information System (INIS)

    Ding De-Sheng; Huang Jin-Huang

    2016-01-01

    In this paper, we extensively study the higher-order harmonic generation of the general limited diffraction m -th-order Bessel beam. The analysis is based on successive approximations of the Khokhlov–Zabolotskaya–Kuznetsov (KZK) equation. Asymptotic expansions are presented for higher-order harmonic Bessel beams in near and far fields. The validity of asymptotic approximation is also analyzed. The higher-order harmonic of the Bessel beam with the lowest zero-order is taken as a special example. (special topic)

  5. Hydrogen atom in a uniform electromagnetic field as an anharmonic oscillator

    International Nuclear Information System (INIS)

    Kibler, M.; Negadi, T.

    1984-01-01

    This work establishes, by means of the Kustaanheimo-Stiefel transformation, a connection between two branches of theoretical physics which are, in present times, the object of numerous studies: the quantum mechanics of anharmonic oscillators and of the hydrogen atom in a (strong) homogeneous and constant electromagnetic field

  6. Properties of one-dimensional anharmonic lattice solitons

    Science.gov (United States)

    Szeftel, Jacob; Laurent-Gengoux, Pascal; Ilisca, Ernest; Hebbache, Mohamed

    2000-12-01

    The existence of bell- and kink-shaped solitons moving at constant velocity while keeping a permanent profile is studied in infinite periodic monoatomic chains of arbitrary anharmonicity by taking advantage of the equation of motion being integrable with respect to solitons. A second-order, non-linear differential equation involving advanced and retarded terms must be solved, which is done by implementing a scheme based on the finite element and Newton's methods. If the potential has a harmonic limit, the asymptotic time-decay behaves exponentially and there is a dispersion relation between propagation velocity and decay time. Inversely if the potential has no harmonic limit, the asymptotic regime shows up either as a power-law or faster than exponential. Excellent agreement is achieved with Toda's model. Illustrative examples are also given for the Fermi-Pasta-Ulam and sine-Gordon potentials. Owing to integrability an effective one-body potential is worked out in each case. Lattice and continuum solitons differ markedly from one another as regards the amplitude versus propagation velocity relationship and the asymptotic time behavior. The relevance of the linear stability analysis when applied to solitons propagating in an infinite crystal is questioned. The reasons preventing solitons from arising in a diatomic lattice are discussed.

  7. Fluctuations and Anharmonicity in Lead Iodide Perovskites from Molecular Dynamics Supercell Simulationss

    KAUST Repository

    Carignano, Marcelo André s; Aravindh, S. Assa; Roqan, Iman S.; Even, Jacky; Katan, Claudine

    2017-01-01

    cations as the temperature is decreased from 450 K. The reverse transformation from tetragonal to cubic is also monitored through the large distribution of the octahedral tilting angles accompanied by an increase in the anharmonicity of the iodine atoms

  8. Mellin-Barnes regularization, Borel summation and the Bender-Wu asymptotics for the anharmonic oscillator

    International Nuclear Information System (INIS)

    Kowalenko, V.; Rawlinson, A.A.

    1998-01-01

    We introduce the numerical technique of Mellin-Barnes regularization, which can be used to evaluate both convergent and divergent series. The technique is shown to be numerically equivalent to the corresponding results obtained by Borel summation. Both techniques are then applied to the Bender-Wu formula, which represents an asymptotic expansion for the energy levels of the anharmonic oscillator. We find that this formula is unable to give accurate values for the ground state energy, particularly when the coupling is greater than 0.1. As a consequence, the inability of the Bender-Wu formula to yield exact values for the energy level of the anharmonic oscillator cannot be attributed to its asymptotic nature. (authors)

  9. Higher-order harmonics of general limited diffraction Bessel beams

    Science.gov (United States)

    Ding, De-Sheng; Huang, Jin-Huang

    2016-12-01

    In this paper, we extensively study the higher-order harmonic generation of the general limited diffraction m-th-order Bessel beam. The analysis is based on successive approximations of the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation. Asymptotic expansions are presented for higher-order harmonic Bessel beams in near and far fields. The validity of asymptotic approximation is also analyzed. The higher-order harmonic of the Bessel beam with the lowest zero-order is taken as a special example. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074038 and 11374051).

  10. Anharmonic properties of Raman modes in double wall carbon nano tubes

    Energy Technology Data Exchange (ETDEWEB)

    Marquina, J. [Universidad de los Andes, Facultad de Ciencias, Centro de Estudios Avanzados en Optica, 5101 Merida (Venezuela, Bolivarian Republic of); Power, Ch.; Gonzalez, J. [Universidad de los Andes, Facultad de Ciencias, Centro de Estudios en Semiconductores, 5101 Merida (Venezuela, Bolivarian Republic of); Broto, J. M. [Universite de Toulouse, Laboratoire National des Champs Magnetiques Intenses, CNRS UPR 3228, 31400 Toulouse (France); Flahaut, E., E-mail: castella@ula.v [Universite Paul Sabatier, Laboratoire de Chimie des Materiaux Inorganiques, UMR CNRS 5085, 31062 Toulouse (France)

    2011-07-01

    The temperature dependence of the radial breathing modes (RB Ms) and the zone-center tangential optical phonons (G-bands) of double-walled carbon nano tubes has been investigated between 300 and 700 K using Raman scattering. As expected, with increasing temperature, the frequencies of the Raman peaks, including the RB Ms and G-bands downshift simultaneously. We show here that the temperature dependence of the RB Ms can be fitted by a simple linear dependence and different RB Ms have different frequency shifts. We observe a noticeable nonlinearity in the temperature dependence of the G-band associated with the outer semiconducting tube G+ext (s). The deviation from the linear trend is due to the contribution of the third-order anharmonic term in the lattice potential energy with a pure temperature effect. An estimated value of 1.5 for the Grueneisen parameter of the G+ext (s) band was found. (Author)

  11. Generalized theory of spin fluctuations in itinerant electron magnets: Crucial role of spin anharmonicity

    International Nuclear Information System (INIS)

    Solontsov, A.

    2015-01-01

    The paper critically overviews the recent developments of the theory of spatially dispersive spin fluctuations (SF) in itinerant electron magnetism with particular emphasis on spin-fluctuation coupling or spin anharmonicity. It is argued that the conventional self-consistent renormalized (SCR) theory of spin fluctuations is usually used aside of the range of its applicability actually defined by the constraint of weak spin anharmonicity based on the random phase approximation (RPA) arguments. An essential step in understanding SF in itinerant magnets beyond RPA-like arguments was made recently within the soft-mode theory of SF accounting for strong spin anharmonicity caused by zero-point SF. In the present paper we generalize it to apply for a wider range of temperatures and regimes of SF and show it to lead to qualitatively new results caused by zero-point effects. - Highlights: • We review the spin-fluctuation theory of itinerant electron magnets with account of zero-point effects. • We generalize the existing theory to account for different regimes of spin fluctuations. • We show that zero-point spin fluctuations play a crucial role in both low- and high-temperature properties of metallic magnets. • We argue that a new scheme of calculation of ground state properties of magnets is needed including zero-point effects

  12. Higher order QCD corrections in small x physics

    International Nuclear Information System (INIS)

    Chachamis, G.

    2006-11-01

    We study higher order QCD corrections in small x Physics. The numerical implementation of the full NLO photon impact factor is the remaining necessary piece for the testing of the NLO BFKL resummation against data from physical processes, such as γ * γ * collisions. We perform the numerical integration over phase space for the virtual corrections to the NLO photon impact factor. This, along with the previously calculated real corrections, makes feasible in the near future first estimates for the γ*γ* total cross section, since the convolution of the full impact factor with the NLO BFKL gluon Green's function is now straightforward. The NLO corrections for the photon impact factor are sizeable and negative. In the second part of this thesis, we estimate higher order correction to the BK equation. We are mainly interested in whether partonic saturation delays or not in rapidity when going beyond the leading order. In our investigation, we use the so called 'rapidity veto' which forbid two emissions to be very close in rapidity, to 'switch on' higher order corrections to the BK equation. From analytic and numerical analysis, we conclude that indeed saturation does delay in rapidity when higher order corrections are taken into account. In the last part, we investigate higher order QCD corrections as additional corrections to the Electroweak (EW) sector. The question of whether BFKL corrections are of any importance in the Regge limit for the EW sector seems natural; although they arise in higher loop level, the accumulation of logarithms in energy s at high energies, cannot be dismissed without an investigation. We focus on the process γγ→ZZ. We calculate the pQCD corrections in the forward region at leading logarithmic (LL) BFKL accuracy, which are of the order of few percent at the TeV energy scale. (orig.)

  13. Higher order QCD corrections in small x physics

    Energy Technology Data Exchange (ETDEWEB)

    Chachamis, G.

    2006-11-15

    We study higher order QCD corrections in small x Physics. The numerical implementation of the full NLO photon impact factor is the remaining necessary piece for the testing of the NLO BFKL resummation against data from physical processes, such as {gamma}{sup *}{gamma}{sup *} collisions. We perform the numerical integration over phase space for the virtual corrections to the NLO photon impact factor. This, along with the previously calculated real corrections, makes feasible in the near future first estimates for the {gamma}*{gamma}* total cross section, since the convolution of the full impact factor with the NLO BFKL gluon Green's function is now straightforward. The NLO corrections for the photon impact factor are sizeable and negative. In the second part of this thesis, we estimate higher order correction to the BK equation. We are mainly interested in whether partonic saturation delays or not in rapidity when going beyond the leading order. In our investigation, we use the so called 'rapidity veto' which forbid two emissions to be very close in rapidity, to 'switch on' higher order corrections to the BK equation. From analytic and numerical analysis, we conclude that indeed saturation does delay in rapidity when higher order corrections are taken into account. In the last part, we investigate higher order QCD corrections as additional corrections to the Electroweak (EW) sector. The question of whether BFKL corrections are of any importance in the Regge limit for the EW sector seems natural; although they arise in higher loop level, the accumulation of logarithms in energy s at high energies, cannot be dismissed without an investigation. We focus on the process {gamma}{gamma}{yields}ZZ. We calculate the pQCD corrections in the forward region at leading logarithmic (LL) BFKL accuracy, which are of the order of few percent at the TeV energy scale. (orig.)

  14. Nonlocal higher order evolution equations

    KAUST Repository

    Rossi, Julio D.; Schö nlieb, Carola-Bibiane

    2010-01-01

    In this article, we study the asymptotic behaviour of solutions to the nonlocal operator ut(x, t)1/4(-1)n-1 (J*Id -1)n (u(x, t)), x ∈ ℝN, which is the nonlocal analogous to the higher order local evolution equation vt(-1)n-1(Δ)nv. We prove

  15. Unambiguous formalism for higher order Lagrangian field theories

    International Nuclear Information System (INIS)

    Campos, Cedric M; De Leon, Manuel; De Diego, David MartIn; Vankerschaver, Joris

    2009-01-01

    The aim of this paper is to propose an unambiguous intrinsic formalism for higher order field theories which avoids the arbitrariness in the generalization of the conventional description of field theories, and implies the existence of different Cartan forms and Legendre transformations. We propose a differential-geometric setting for the dynamics of a higher order field theory, based on the Skinner and Rusk formalism for mechanics. This approach incorporates aspects of both the Lagrangian and the Hamiltonian description, since the field equations are formulated using the Lagrangian on a higher order jet bundle and the canonical multisymplectic form on its affine dual. As both of these objects are uniquely defined, the Skinner-Rusk approach has the advantage that it does not suffer from the arbitrariness in conventional descriptions. The result is that we obtain a unique and global intrinsic version of the Euler-Lagrange equations for higher order field theories. Several examples illustrate our construction.

  16. Internal oscillation frequencies and anharmonic effects for the double sine-Gordon kink

    DEFF Research Database (Denmark)

    Salerno, M.; Samuelsen, Mogens Rugholm

    1989-01-01

    A simple derivation of the small oscillation frequency around 4π-kink solutions of the double sine-Gordon equation is presented. Small corrections to these frequencies due to anharmonic effects are also numerically and analytically investigated. The analysis is based on energetic considerations...

  17. A New Quasi-Exactly Solvable Problem and Its Connection with an Anharmonic Oscillator

    International Nuclear Information System (INIS)

    Yang Dabao; Zhang Fulin; Chen Jingling

    2010-01-01

    The two-dimensional hydrogen with a linear potential in a magnetic field is solved by two different methods. Furthermore the connection between the model and an anharmonic oscillator is investigated by methods of KS transformation. (general)

  18. The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine-cytosine base pairs in Watson-Crick and Hoogsteen configurations.

    Science.gov (United States)

    Bende, Attila; Muntean, Cristina M

    2014-03-01

    The theoretical IR and Raman spectra of the guanine-cytosine DNA base pairs in Watson-Crick and Hoogsteen configurations were computed using DFT method with M06-2X meta-hybrid GGA exchange-correlation functional, including the anharmonic corrections and solvent effects. The results for harmonic frequencies and their anharmonic corrections were compared with our previously calculated values obtained with the B3PW91 hybrid GGA functional. Significant differences were obtained for the anharmonic corrections calculated with the two different DFT functionals, especially for the stretching modes, while the corresponding harmonic frequencies did not differ considerable. For the Hoogtseen case the H⁺ vibration between the G-C base pair can be characterized as an asymmetric Duffing oscillator and therefore unrealistic anharmonic corrections for normal modes where this proton vibration is involved have been obtained. The spectral modification due to the anharmonic corrections, solvent effects and the influence of sugar-phosphate group for the Watson-Crick and Hoogsteen base pair configurations, respectively, were also discussed. For the Watson-Crick case also the influence of the stacking interaction on the theoretical IR and Raman spectra was analyzed. Including the anharmonic correction in our normal mode analysis is essential if one wants to obtain correct assignments of the theoretical frequency values as compared with the experimental spectra.

  19. Raman scattering study of the anharmonic effects in CeO{sub 2-y} nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Popovic, Z V [Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, 11080 Belgrade (Serbia); Dohcevic-Mitrovic, Z [Center for Solid State Physics and New Materials, Institute of Physics, Pregrevica 118, 11080 Belgrade (Serbia); Cros, A [Materials Science Institute, University of Valencia, P O Box 22085, E-46071, Valencia (Spain); Cantarero, A [Materials Science Institute, University of Valencia, P O Box 22085, E-46071, Valencia (Spain)

    2007-12-12

    We have studied the temperature dependence of the F{sub 2g} Raman mode phonon frequency and broadening in CeO{sub 2-y} nanocrystals. The phonon softening and phonon linewidth are calculated using a model which takes into account the three-and four-phonon anharmonic processes. A detailed comparison of the experimental data with theoretical calculations revealed the predominance of four-phonon anharmonic processes in the temperature dependence of the phonon energy and broadening of the nanocrystals. On the other hand, three-phonon processes dominate the temperature behavior of phonons in polycrystalline samples. The anti-Stokes/Stokes peak intensity ratio was also investigated and found to be smaller for nanosized CeO{sub 2} powders than in the bulk counterpart.

  20. Time-Discrete Higher-Order ALE Formulations: Stability

    KAUST Repository

    Bonito, Andrea; Kyza, Irene; Nochetto, Ricardo H.

    2013-01-01

    on the stability of the PDE but may influence that of a discrete scheme. We examine this critical issue for higher-order time stepping without space discretization. We propose time-discrete discontinuous Galerkin (dG) numerical schemes of any order for a time

  1. The Meaning of Higher-Order Factors in Reflective-Measurement Models

    Science.gov (United States)

    Eid, Michael; Koch, Tobias

    2014-01-01

    Higher-order factor analysis is a widely used approach for analyzing the structure of a multidimensional test. Whenever first-order factors are correlated researchers are tempted to apply a higher-order factor model. But is this reasonable? What do the higher-order factors measure? What is their meaning? Willoughby, Holochwost, Blanton, and Blair…

  2. Anharmonicity and hydrogen bonding in electrooptic sucrose crystal

    Science.gov (United States)

    Szostak, M. M.; Giermańska, J.

    1990-03-01

    The polarized absorption spectra of the sucrose crystal in the 5300 - 7300 cm -1 region have been measured. The assignments of all the eight OH stretching overtones are proposed and their mechanical anharmonicities are estimated. The discrepancies from the oriented gas model (OGM) in the observed relative band intensities, especially of the -CH vibrations, are assumed to be connected with vibronic couplings enhanced by the helical arrangement of molecules joined by hydrogen bondings. It seems that this kind of interactions might be important for the second harmonic generation (SHG) by the sucrose crystal.

  3. Jacobian elliptic wave solutions in an anharmonic molecular crystal model

    International Nuclear Information System (INIS)

    Teh, C.G.R.; Lee, B.S.; Koo, W.K.

    1997-07-01

    Explicit Jacobian elliptic wave solutions are found in the anharmonic molecular crystal model for both the continuum limit and discrete modes. This class of wave solutions include the famous pulse-like and kink-like solitary modes. We would also like to report on the existence of some highly discrete staggered solitary wave modes not found in the continuum limit. (author). 9 refs, 1 fig

  4. Nil Bohr-sets and almost automorphy of higher order

    CERN Document Server

    Huang, Wen; Ye, Xiangdong

    2016-01-01

    Two closely related topics, higher order Bohr sets and higher order almost automorphy, are investigated in this paper. Both of them are related to nilsystems. In the first part, the problem which can be viewed as the higher order version of an old question concerning Bohr sets is studied: for any d\\in \\mathbb{N} does the collection of \\{n\\in \\mathbb{Z}: S\\cap (S-n)\\cap\\ldots\\cap (S-dn)\

  5. Higher order cumulants in colorless partonic plasma

    Energy Technology Data Exchange (ETDEWEB)

    Cherif, S. [Sciences and Technologies Department, University of Ghardaia, Ghardaia, Algiers (Algeria); Laboratoire de Physique et de Mathématiques Appliquées (LPMA), ENS-Kouba (Bachir El-Ibrahimi), Algiers (Algeria); Ahmed, M. A. A. [Department of Physics, College of Science, Taibah University Al-Madinah Al-Mounawwarah KSA (Saudi Arabia); Department of Physics, Taiz University in Turba, Taiz (Yemen); Laboratoire de Physique et de Mathématiques Appliquées (LPMA), ENS-Kouba (Bachir El-Ibrahimi), Algiers (Algeria); Ladrem, M., E-mail: mladrem@yahoo.fr [Department of Physics, College of Science, Taibah University Al-Madinah Al-Mounawwarah KSA (Saudi Arabia); Laboratoire de Physique et de Mathématiques Appliquées (LPMA), ENS-Kouba (Bachir El-Ibrahimi), Algiers (Algeria)

    2016-06-10

    Any physical system considered to study the QCD deconfinement phase transition certainly has a finite volume, so the finite size effects are inevitably present. This renders the location of the phase transition and the determination of its order as an extremely difficult task, even in the simplest known cases. In order to identify and locate the colorless QCD deconfinement transition point in finite volume T{sub 0}(V), a new approach based on the finite-size cumulant expansion of the order parameter and the ℒ{sub m,n}-Method is used. We have shown that both cumulants of higher order and their ratios, associated to the thermodynamical fluctuations of the order parameter, in QCD deconfinement phase transition behave in a particular enough way revealing pronounced oscillations in the transition region. The sign structure and the oscillatory behavior of these in the vicinity of the deconfinement phase transition point might be a sensitive probe and may allow one to elucidate their relation to the QCD phase transition point. In the context of our model, we have shown that the finite volume transition point is always associated to the appearance of a particular point in whole higher order cumulants under consideration.

  6. Equivalence of classical spins and Hartree-Fock-Bogoliubov approximation of the Fermionic Anharmonic Oscillator

    International Nuclear Information System (INIS)

    Thomaz, M.T.; Toledo Piza, A.F.R. de

    1994-01-01

    We show that the Hartree-Fock-Bogoliubov (alias Gaussian) approximation of the initial condition problem of the Fermionic Anharmonic Oscillator i equivalent to a bosonic Hamiltonian system of two classical spin. (author)

  7. On the expressiveness and decidability of higher-order process calculi

    NARCIS (Netherlands)

    Lanese, Ivan; Perez, Jorge A.; Sangiorgi, Davide; Schmitt, Alan

    In higher-order process calculi, the values exchanged in communications may contain processes. A core calculus of higher-order concurrency is studied; it has only the operators necessary to express higher-order communications: input prefix, process output, and parallel composition. By exhibiting a

  8. Multilevel Fast Multipole Method for Higher Order Discretizations

    DEFF Research Database (Denmark)

    Borries, Oscar Peter; Meincke, Peter; Jorgensen, Erik

    2014-01-01

    The multi-level fast multipole method (MLFMM) for a higher order (HO) discretization is demonstrated on high-frequency (HF) problems, illustrating for the first time how an efficient MLFMM for HO can be achieved even for very large groups. Applying several novel ideas, beneficial to both lower...... order and higher order discretizations, results from a low-memory, high-speed MLFMM implementation of a HO hierarchical discretization are shown. These results challenge the general view that the benefits of HO and HF-MLFMM cannot be combined....

  9. Rotational states of Bose gases with attractive interactions in anharmonic traps

    International Nuclear Information System (INIS)

    Lundh, Emil; Collin, Anssi; Suominen, Kalle-Antti

    2004-01-01

    A rotated and harmonically trapped Bose gas with attractive interactions is expected to either remain stationary or escape from the trap. Here we report that, on the contrary, in an anharmonic trapping potential the Bose gas with attractive interactions responds to external rotation very differently, namely, through center-of-mass motion or by formation of vortices

  10. Numerical solutions of anharmonic vibration of BaO and SrO molecules

    Energy Technology Data Exchange (ETDEWEB)

    Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda [Theoretical Physics Division, Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia); Sumaryada, Tony, E-mail: tsumaryada@ipb.ac.id [Theoretical Physics Division, Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia); Computational Biophysics and Molecular Modeling Research Group (CBMoRG), Department of Physics, Bogor Agricultural University, Jalan Meranti Kampus IPB Dramaga Bogor 16680 (Indonesia)

    2016-03-11

    The Morse potential is a potential model that is used to describe the anharmonic behavior of molecular vibration between atoms. The BaO and SrO molecules, which are two almost similar diatomic molecules, were investigated in this research. Some of their properties like the value of the dissociation energy, the energy eigenvalues of each energy level, and the profile of the wavefunctions in their correspondence vibrational states were presented in this paper. Calculation of the energy eigenvalues and plotting the wave function’s profiles were performed using Numerov method combined with the shooting method. In general we concluded that the Morse potential solved with numerical methods could accurately produce the vibrational properties and the wavefunction behavior of BaO and SrO molecules from the ground state to the higher states close to the dissociation level.

  11. Higher-order modulation instability in nonlinear fiber optics.

    Science.gov (United States)

    Erkintalo, Miro; Hammani, Kamal; Kibler, Bertrand; Finot, Christophe; Akhmediev, Nail; Dudley, John M; Genty, Goëry

    2011-12-16

    We report theoretical, numerical, and experimental studies of higher-order modulation instability in the focusing nonlinear Schrödinger equation. This higher-order instability arises from the nonlinear superposition of elementary instabilities, associated with initial single breather evolution followed by a regime of complex, yet deterministic, pulse splitting. We analytically describe the process using the Darboux transformation and compare with experiments in optical fiber. We show how a suitably low frequency modulation on a continuous wave field induces higher-order modulation instability splitting with the pulse characteristics at different phases of evolution related by a simple scaling relationship. We anticipate that similar processes are likely to be observed in many other systems including plasmas, Bose-Einstein condensates, and deep water waves. © 2011 American Physical Society

  12. Effect of anharmonicity and Debye-Waller factor on the superconductivity of PdHsub(x) and PdDsub(x)

    International Nuclear Information System (INIS)

    Griessen, R.; Groot, D.G. de

    1983-01-01

    On the basis of existing superconducting tunnelling, neutron scattering, electrical resistivity and Raman scattering data and new thermal expansion, elastic moduli and point-contact spectroscopy data it is concluded that the anharmonicity of the proton (deuteron)-palladium potential is such that Msub(H)#betta#sub(H) 2 /(Msub(D)#betta#sub(D) 2 ) = 1.12 +- 0.05 Msub(H(D)) is the mass and #betta#sub(H(D)) the frequency of the vibration of hydrogen (deuterium). This anharmonicity is approximately 2 times too weak to reproduce the observed inverse isotope effect in the superconducting transition temperature of concentrated PdHsub(x) and PdDsub(x) alloys. Within a pseudopotential formalism it is shown that the Debye-Waller factor arising from the large zero-point amplitude of the interstitial hydrogen (deuterium) leads to a contribution to the inverse isotope effect in Tsub(c) which is as large as that of anharmonicity alone. (Auth.)

  13. Higher-order rewriting and partial evaluation

    DEFF Research Database (Denmark)

    Danvy, Olivier; Rose, Kristoffer H.

    1998-01-01

    We demonstrate the usefulness of higher-order rewriting techniques for specializing programs, i.e., for partial evaluation. More precisely, we demonstrate how casting program specializers as combinatory reduction systems (CRSs) makes it possible to formalize the corresponding program...

  14. Higher-Order Separation Logic in Isabelle/HOLCF

    DEFF Research Database (Denmark)

    Varming, Carsten; Birkedal, Lars

    2008-01-01

    We formalize higher-order separation logic for a first-order imperative language with procedures and local variables in Isabelle/HOLCF. The assertion language is modeled in such a way that one may use any theory defined in Isabelle/HOLCF to construct assertions, e.g., primitive recursion, least o...

  15. Meta-Logical Reasoning in Higher-Order Logic

    DEFF Research Database (Denmark)

    Villadsen, Jørgen; Schlichtkrull, Anders; Hess, Andreas Viktor

    The semantics of first-order logic (FOL) can be described in the meta-language of higher-order logic (HOL). Using HOL one can prove key properties of FOL such as soundness and completeness. Furthermore, one can prove sentences in FOL valid using the formalized FOL semantics. To aid...

  16. Higher-Order and Symbolic Computation

    DEFF Research Database (Denmark)

    Danvy, Olivier; Mason, Ian

    2008-01-01

    a series of implementaions that properly account for multiple invocations of the derivative-taking opeatro. In "Adapting Functional Programs to Higher-Order Logic," Scott Owens and Konrad Slind present a variety of examples of terminiation proofs of functional programs written in HOL proof systems. Since......-calculus programs, historically. The anaylsis determines the possible locations of ambients and mirrors the temporla sequencing of actions in the structure of types....

  17. All-fiber Raman Probe using Higher Order Modes

    DEFF Research Database (Denmark)

    Larsen, Stine Højer Møller; Rishøj, Lars Søgaard; Rottwitt, Karsten

    2013-01-01

    We demonstrate the first all-fiber Raman probe utilizing higher order modes for the excitation. The spectrum of cyclohexane is measured using both the fundamental mode as well as in-fiber-generated Bessel-like modes.......We demonstrate the first all-fiber Raman probe utilizing higher order modes for the excitation. The spectrum of cyclohexane is measured using both the fundamental mode as well as in-fiber-generated Bessel-like modes....

  18. Asymptotic Expansions for Higher-Order Scalar Difference Equations

    Directory of Open Access Journals (Sweden)

    Pituk Mihály

    2007-01-01

    Full Text Available We give an asymptotic expansion of the solutions of higher-order Poincaré difference equation in terms of the characteristic solutions of the limiting equation. As a consequence, we obtain an asymptotic description of the solutions approaching a hyperbolic equilibrium of a higher-order nonlinear difference equation with sufficiently smooth nonlinearity. The proof is based on the inversion formula for the z -transform and the residue theorem.

  19. Steady-state mechanical squeezing and ground-state cooling of a Duffing anharmonic oscillator in an optomechanical cavity assisted by a nonlinear medium

    Science.gov (United States)

    Momeni, F.; Naderi, M. H.

    2018-05-01

    In this paper, we study theoretically a hybrid optomechanical system consisting of a degenerate optical parametric amplifier inside a driven optical cavity with a moving end mirror which is modeled as a stiffening Duffing-like anharmonic quantum mechanical oscillator. By providing analytical expressions for the critical values of the system parameters corresponding to the emergence of the multistability behavior in the steady-state response of the system, we show that the stiffening mechanical Duffing anharmonicity reduces the width of the multistability region while the optical parametric nonlinearity can be exploited to drive the system toward the multistability region. We also show that for appropriate values of the mechanical anharmonicity strength the steady-state mechanical squeezing and the ground-state cooling of the mechanical resonator can be achieved. Moreover, we find that the presence of the nonlinear gain medium can lead to the improvement of the mechanical anharmonicity-induced cooling of the mechanical motion, as well as to the mechanical squeezing beyond the standard quantum limit of 3 dB.

  20. A study of anharmonic al and nonlinear behaviours of vibrations of atomic nuclei

    International Nuclear Information System (INIS)

    Volpe, M.C.

    1997-01-01

    Double Giant Resonances, vibrational states in which a Giant Resonance is excited on top of another Giant Resonance, have been in the last years the object of many theories and studies. Whereas the measured energies and widths of these states agree with a theoretical predictions, the measured excitation cross sections on the other hand are almost always larger than the calculated ones. The standard theoretical approaches are based both on a harmonic approximation for the collective motion on the nucleus and on its linear response to an external field. In this work the influence of anharmonicities and non-linearities in the external field on the excitation of Double Giant Resonances are studied. First, an oscillator model and an extension of the Lipkin-Meshkow-Glick model are used to study the effects of anharmonicities and non-linearities on the excitation probabilities. The results show that these terms can influence the excitation probability of the second excited state in a significant way. Secondly, these exactly soluble schematic models are used to study some of the approximations made in microscopic calculations based on boson expansion methods and also some aspects on the time-dependent mean field approach. Finally, a microscopic calculation of the Coulomb excitation cross sections of Double Giant Resonances is presented for several nuclei. It is found that, for 208 Pb, the inclusion of anharmonicities and non-linearities and the consideration of many states that play a role in the excitation process give a satisfactory agreement between calculated and observed cross sections. (author)

  1. On the origin of higher braces and higher-order derivations

    Czech Academy of Sciences Publication Activity Database

    Markl, Martin

    2015-01-01

    Roč. 10, č. 3 (2015), s. 637-667 ISSN 2193-8407 Institutional support: RVO:67985840 Keywords : Koszul braces * Börjeseon braces * higher-order derivation Subject RIV: BA - General Mathematics Impact factor: 0.600, year: 2015 http://link.springer.com/article/10.1007/s40062-014-0079-2

  2. Higher order correlations in computed particle distributions

    International Nuclear Information System (INIS)

    Hanerfeld, H.; Herrmannsfeldt, W.; Miller, R.H.

    1989-03-01

    The rms emittances calculated for beam distributions using computer simulations are frequently dominated by higher order aberrations. Thus there are substantial open areas in the phase space plots. It has long been observed that the rms emittance is not an invariant to beam manipulations. The usual emittance calculation removes the correlation between transverse displacement and transverse momentum. In this paper, we explore the possibility of defining higher order correlations that can be removed from the distribution to result in a lower limit to the realizable emittance. The intent is that by inserting the correct combinations of linear lenses at the proper position, the beam may recombine in a way that cancels the effects of some higher order forces. An example might be the non-linear transverse space charge forces which cause a beam to spread. If the beam is then refocused so that the same non-linear forces reverse the inward velocities, the resulting phase space distribution may reasonably approximate the original distribution. The approach to finding the location and strength of the proper lens to optimize the transported beam is based on work by Bruce Carlsten of Los Alamos National Laboratory. 11 refs., 4 figs

  3. Perturbative theory of higher-order collision-enhanced wave mixing

    International Nuclear Information System (INIS)

    Trebino, R.; Rahn, L.A.

    1989-01-01

    This paper reports on collision-enhanced resonances which represent an interesting class of nonlinear- optical processes. They occur because collisional dephasing can rephase quantum-mechanical amplitudes that ordinarily cancel out exactly, thereby allowing otherwise unobservable wave-mixing resonances to be seen. This is an especially interesting phenomenon because these resonances are coherent effects that are induced by an incoherent process (collisional dephasing). First predicted in the late 1970s and eventually observed in 1981, these novel effects have now been seen in a wide variety of four-wave-mixing experiments, ranging from self-focusing to coherent anti-Stokes Raman spectroscopy. Recently, the authors have extended these observations to higher order, where the authors have shown both experimentally and theoretically the higher-order, collision-enhanced effects exist in nonlinear optics, appearing as subharmonics of two-photon resonances. Indeed, the authors have found that collision-enhanced processes are ideal systems for studying higher-order, nonlinear-optical effects because very high orders can be made to contribute with little or no saturation braodening. Experiments on sodium in a flame using six- and eight-wave-mixing geometries have revealed still higher-order effects (at least as high- order as χ (13) )

  4. Classical higher-order processes

    DEFF Research Database (Denmark)

    Montesi, Fabrizio

    2017-01-01

    Classical Processes (CP) is a calculus where the proof theory of classical linear logic types processes à la Π-calculus, building on a Curry-Howard correspondence between session types and linear propositions. We contribute to this research line by extending CP with process mobility, inspired...... by the Higher-Order Π-calculus. The key to our calculus is that sequents are asymmetric: one side types sessions as in CP and the other types process variables, which can be instantiated with process values. The controlled interaction between the two sides ensures that process variables can be used at will......, but always respecting the linear usage of sessions expected by the environment....

  5. Anharmonicities of coupled β and γ vibrations discussed in a simple model

    International Nuclear Information System (INIS)

    Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

    1984-01-01

    The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method. (orig.)

  6. Anharmonicities of coupled β and γ vibrations discussed in a simple model

    International Nuclear Information System (INIS)

    Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.

    1983-11-01

    The multiphonon method based on β and γ phonons is tested in a simple model allowing an exact solution for a many body fermion system where pairing and quadrupole forces are acting. The properties exhibiting the anharmonicities of the lowest-lying vibrational states of positive parity are nicely reproduced by this method

  7. Computer Program for Inelastic Neutron Scattering by an Anharmonic Crystal

    International Nuclear Information System (INIS)

    Bohlin, L.; Ebbsjoe, I.; Hoegberg, T.

    1969-02-01

    A description is given of the program SAW (Shift and Width), which calculates the energy-dependent shift and width of the intensity peaks obtained for thermal neutrons scattered inelastically by an anharmonic crystal. The program has been coded in FORTRAN IV and may be applied to every solid with a monatomic face-centered cubic lattice where the intermolecular interactions can be described by a centro-symmetrical potential. Interactions beyond third neighbours are neglected

  8. Computer Program for Inelastic Neutron Scattering by an Anharmonic Crystal

    Energy Technology Data Exchange (ETDEWEB)

    Bohlin, L; Ebbsjoe, I; Hoegberg, T

    1969-02-15

    A description is given of the program SAW (Shift and Width), which calculates the energy-dependent shift and width of the intensity peaks obtained for thermal neutrons scattered inelastically by an anharmonic crystal. The program has been coded in FORTRAN IV and may be applied to every solid with a monatomic face-centered cubic lattice where the intermolecular interactions can be described by a centro-symmetrical potential. Interactions beyond third neighbours are neglected.

  9. Asymptotic Expansions for Higher-Order Scalar Difference Equations

    Directory of Open Access Journals (Sweden)

    Ravi P. Agarwal

    2007-04-01

    Full Text Available We give an asymptotic expansion of the solutions of higher-order Poincaré difference equation in terms of the characteristic solutions of the limiting equation. As a consequence, we obtain an asymptotic description of the solutions approaching a hyperbolic equilibrium of a higher-order nonlinear difference equation with sufficiently smooth nonlinearity. The proof is based on the inversion formula for the z -transform and the residue theorem.

  10. Higher-Order Cyclostationarity Detection for Spectrum Sensing

    Directory of Open Access Journals (Sweden)

    Julien Renard

    2010-01-01

    Full Text Available Recent years have shown a growing interest in the concept of Cognitive Radios (CRs, able to access portions of the electromagnetic spectrum in an opportunistic operating way. Such systems require efficient detectors able to work in low Signal-to-Noise Ratio (SNR environments, with little or no information about the signals they are trying to detect. Energy detectors are widely used to perform such blind detection tasks, but quickly reach the so-called SNR wall below which detection becomes impossible Tandra (2005. Cyclostationarity detectors are an interesting alternative to energy detectors, as they exploit hidden periodicities present in man-made signals, but absent in noise. Such detectors use quadratic transformations of the signals to extract the hidden sine-waves. While most of the literature focuses on the second-order transformations of the signals, we investigate the potential of higher-order transformations of the signals. Using the theory of Higher-Order Cyclostationarity (HOCS, we derive a fourth-order detector that performs similarly to the second-order ones to detect linearly modulated signals, at SNR around 0 dB, which may be used if the signals of interest do not exhibit second-order cyclostationarity. More generally this paper reviews the relevant aspects of the cyclostationary and HOCS theory, and shows their potential for spectrum sensing.

  11. Higher-order tensors in diffusion imaging

    NARCIS (Netherlands)

    Schultz, T.; Fuster, A.; Ghosh, A.; Deriche, R.; Florack, L.M.J.; Lim, L.H.; Westin, C.-F.; Vilanova, A.; Burgeth, B.

    2014-01-01

    Diffusion imaging is a noninvasive tool for probing the microstructure of fibrous nerve and muscle tissue. Higher-order tensors provide a powerful mathematical language to model and analyze the large and complex data that is generated by its modern variants such as High Angular Resolution Diffusion

  12. Theorem Proving In Higher Order Logics

    Science.gov (United States)

    Carreno, Victor A. (Editor); Munoz, Cesar A.; Tahar, Sofiene

    2002-01-01

    The TPHOLs International Conference serves as a venue for the presentation of work in theorem proving in higher-order logics and related areas in deduction, formal specification, software and hardware verification, and other applications. Fourteen papers were submitted to Track B (Work in Progress), which are included in this volume. Authors of Track B papers gave short introductory talks that were followed by an open poster session. The FCM 2002 Workshop aimed to bring together researchers working on the formalisation of continuous mathematics in theorem proving systems with those needing such libraries for their applications. Many of the major higher order theorem proving systems now have a formalisation of the real numbers and various levels of real analysis support. This work is of interest in a number of application areas, such as formal methods development for hardware and software application and computer supported mathematics. The FCM 2002 consisted of three papers, presented by their authors at the workshop venue, and one invited talk.

  13. Influence of anharmonic effects on the structural-mechanical and thermophysical properties of filled polymer systems

    International Nuclear Information System (INIS)

    Bordyuk, N.A.; Nikitchuk, V.I.; Voloshin, O.M.

    1995-01-01

    The force constants of anharmonicity, the total energy, and the force of interaction between structural elements of PVC systems are determined from the values of the quasielastic constants of filled polymer systems

  14. Exact solutions to two higher order nonlinear Schroedinger equations

    International Nuclear Information System (INIS)

    Xu Liping; Zhang Jinliang

    2007-01-01

    Using the homogeneous balance principle and F-expansion method, the exact solutions to two higher order nonlinear Schroedinger equations which describe the propagation of femtosecond pulses in nonlinear fibres are obtained with the aid of a set of subsidiary higher order ordinary differential equations (sub-equations for short)

  15. Self-similarity of higher-order moving averages

    Science.gov (United States)

    Arianos, Sergio; Carbone, Anna; Türk, Christian

    2011-10-01

    In this work, higher-order moving average polynomials are defined by straightforward generalization of the standard moving average. The self-similarity of the polynomials is analyzed for fractional Brownian series and quantified in terms of the Hurst exponent H by using the detrending moving average method. We prove that the exponent H of the fractional Brownian series and of the detrending moving average variance asymptotically agree for the first-order polynomial. Such asymptotic values are compared with the results obtained by the simulations. The higher-order polynomials correspond to trend estimates at shorter time scales as the degree of the polynomial increases. Importantly, the increase of polynomial degree does not require to change the moving average window. Thus trends at different time scales can be obtained on data sets with the same size. These polynomials could be interesting for those applications relying on trend estimates over different time horizons (financial markets) or on filtering at different frequencies (image analysis).

  16. Compiler-Directed Transformation for Higher-Order Stencils

    Energy Technology Data Exchange (ETDEWEB)

    Basu, Protonu [Univ. of Utah, Salt Lake City, UT (United States); Hall, Mary [Univ. of Utah, Salt Lake City, UT (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Straalen, Brian Van [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oliker, Leonid [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Colella, Phillip [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2015-07-20

    As the cost of data movement increasingly dominates performance, developers of finite-volume and finite-difference solutions for partial differential equations (PDEs) are exploring novel higher-order stencils that increase numerical accuracy and computational intensity. This paper describes a new compiler reordering transformation applied to stencil operators that performs partial sums in buffers, and reuses the partial sums in computing multiple results. This optimization has multiple effect son improving stencil performance that are particularly important to higher-order stencils: exploits data reuse, reduces floating-point operations, and exposes efficient SIMD parallelism to backend compilers. We study the benefit of this optimization in the context of Geometric Multigrid (GMG), a widely used method to solvePDEs, using four different Jacobi smoothers built from 7-, 13-, 27-and 125-point stencils. We quantify performance, speedup, andnumerical accuracy, and use the Roofline model to qualify our results. Ultimately, we obtain over 4× speedup on the smoothers themselves and up to a 3× speedup on the multigrid solver. Finally, we demonstrate that high-order multigrid solvers have the potential of reducing total data movement and energy by several orders of magnitude.

  17. Higher-Order Components for Grid Programming

    CERN Document Server

    Dünnweber, Jan

    2009-01-01

    Higher-Order Components were developed within the CoreGRID European Network of Excellence and have become an optional extension of the popular Globus middleware. This book provides the reader with hands-on experience, describing a collection of example applications from various fields of science and engineering, including biology and physics.

  18. Higher order aberrations of the eye: Part one

    Directory of Open Access Journals (Sweden)

    Marsha Oberholzer

    2016-06-01

    Full Text Available This article is the first in a series of two articles that provide a comprehensive literature review of higher order aberrations (HOAs of the eye. The present article mainly explains the general principles of such HOAs as well as HOAs of importance, and the measuring apparatus used to measure HOAs of the eye. The second article in the series discusses factors contributing to variable results in measurements of HOAs of the eye. Keywords: Higher order aberrations; wavefront aberrations; aberrometer

  19. Lagrangian-Hamiltonian unified formalism for autonomous higher order dynamical systems

    International Nuclear Information System (INIS)

    Prieto-Martinez, Pedro Daniel; Roman-Roy, Narciso

    2011-01-01

    The Lagrangian-Hamiltonian unified formalism of Skinner and Rusk was originally stated for autonomous dynamical systems in classical mechanics. It has been generalized for non-autonomous first-order mechanical systems, as well as for first-order and higher order field theories. However, a complete generalization to higher order mechanical systems is yet to be described. In this work, after reviewing the natural geometrical setting and the Lagrangian and Hamiltonian formalisms for higher order autonomous mechanical systems, we develop a complete generalization of the Lagrangian-Hamiltonian unified formalism for these kinds of systems, and we use it to analyze some physical models from this new point of view. (paper)

  20. Higher Order Lagrange Finite Elements In M3D

    International Nuclear Information System (INIS)

    Chen, J.; Strauss, H.R.; Jardin, S.C.; Park, W.; Sugiyama, L.E.; Fu, G.; Breslau, J.

    2004-01-01

    The M3D code has been using linear finite elements to represent multilevel MHD on 2-D poloidal planes. Triangular higher order elements, up to third order, are constructed here in order to provide M3D the capability to solve highly anisotropic transport problems. It is found that higher order elements are essential to resolve the thin transition layer characteristic of the anisotropic transport equation, particularly when the strong anisotropic direction is not aligned with one of the Cartesian coordinates. The transition layer is measured by the profile width, which is zero for infinite anisotropy. It is shown that only higher order schemes have the ability to make this layer converge towards zero when the anisotropy gets stronger and stronger. Two cases are considered. One has the strong transport direction partially aligned with one of the element edges, the other doesn't have any alignment. Both cases have the strong transport direction misaligned with the grid line by some angles

  1. An Algorithm for Higher Order Hopf Normal Forms

    Directory of Open Access Journals (Sweden)

    A.Y.T. Leung

    1995-01-01

    Full Text Available Normal form theory is important for studying the qualitative behavior of nonlinear oscillators. In some cases, higher order normal forms are required to understand the dynamic behavior near an equilibrium or a periodic orbit. However, the computation of high-order normal forms is usually quite complicated. This article provides an explicit formula for the normalization of nonlinear differential equations. The higher order normal form is given explicitly. Illustrative examples include a cubic system, a quadratic system and a Duffing–Van der Pol system. We use exact arithmetic and find that the undamped Duffing equation can be represented by an exact polynomial differential amplitude equation in a finite number of terms.

  2. Novel interpolative perturbation theory for quantum anharmonic oscillators in one and three dimensions and the ground state of a lattice model of the phi4 field theory

    International Nuclear Information System (INIS)

    Ginsburg, C.A.

    1977-01-01

    A new method for approximating the eigenfunctions and eigenvalues of anharmonic oscillators. An attempt was made to develop an analytic method which provides simple formulae for all values of the parameters as the W.K.B. approximation and perturbation theory do for certain limiting case, and which has the convergence properties associated with the computer methods. The procedure is based upon combining knowledge of the asymptotic behavior of the wave function for large and small values of the coordinate(s) to obtain approximations valid for all values of coordinate(s) and all strengths of the anharmonicity. A systematic procedure for improving these approximations is developed. Finally the groundstate of a lattice model of the phi 4 field theory which consists of an infinite number of coupled anharmonic oscillators. A first order calculation yields a covariant expression for the groundstate eigenvalue with the physical mass, m, given by a characteristic polynomial which involves the bare mass, μ, the lattice spacing, l, and the coupling constant, lambda. For l > 0, μ can be adjusted (a mass renormalization) 0 < m < infinity. As l → 0 lambda (l) (a charge renormalization) is adjusted so that lambda/sup 1/3//l → eta, a constant, as l → 0. Then eta can be chosen so that m can take any experimental value

  3. Higher-Order Hybrid Gaussian Kernel in Meshsize Boosting Algorithm

    African Journals Online (AJOL)

    In this paper, we shall use higher-order hybrid Gaussian kernel in a meshsize boosting algorithm in kernel density estimation. Bias reduction is guaranteed in this scheme like other existing schemes but uses the higher-order hybrid Gaussian kernel instead of the regular fixed kernels. A numerical verification of this scheme ...

  4. Scattering of acoustic waves from a surface in the presence of an anharmonic interface

    DEFF Research Database (Denmark)

    Kulak, A.; Lodziana, Zbigniew; Srokowski, T.

    2002-01-01

    Energy transfer coefficient (analogue of LDOS) and aperiodicity index are defined to characterise the nonlinear response and the surface resonances in a thin layer separated from the underlying bulk crystal by an anharmonic interface. Regions of periodic, aperiodic and intermittent motion of the ...

  5. Higher Order and Fractional Diffusive Equations

    Directory of Open Access Journals (Sweden)

    D. Assante

    2015-07-01

    Full Text Available We discuss the solution of various generalized forms of the Heat Equation, by means of different tools ranging from the use of Hermite-Kampé de Fériet polynomials of higher and fractional order to operational techniques. We show that these methods are useful to obtain either numerical or analytical solutions.

  6. Determination of the Young modulus relaxation of high orders from dynamic experiments on crystals

    International Nuclear Information System (INIS)

    Topchyan, I.I.; Dokhner, R.D.

    1977-01-01

    A theoretical investigation into the inelastic behaviour of a crystal under the effect of a periodic load was carried out. Both the dimentional and module effects in the interaction of anisotropic point effects with the applied-stress fields and also the anharmonism of the interatomic interaction forces were taken into account. In this case the crystal deformation can be presented as a superposition of higher-order harmonics with a frequency multiple of that of the field applied. It is shown that the phase shift in the first harmonic determines the usually measured internal friction and depends exclusively on the dimentional effect in the interaction of defects with elastic-stress fields. The phase shift in the higher-order harmonics is due both to dimentional and module effects and it is possible, by measuring shift, to determine the ratios between the elastic modules of a defect

  7. Two new types of solvability of the one-dimensional anharmonic oscillators

    International Nuclear Information System (INIS)

    Znojil, M.

    1989-01-01

    In the Schroedinger picture, we propose a new modification of the so-called Hill-determinant technique. It is shown to guarantee a proper matching of the two underlying power series Ψ(x) at x=0. In the Heisenberg picture, an evolution of the same one-dimensional polynomially anharmonic oscillator is considered. A modified Peano-Baker method is applied and shown to define the explicit solutions by recurrences. 11 refs

  8. Generating higher-order Lie algebras by expanding Maurer-Cartan forms

    International Nuclear Information System (INIS)

    Caroca, R.; Merino, N.; Salgado, P.; Perez, A.

    2009-01-01

    By means of a generalization of the Maurer-Cartan expansion method, we construct a procedure to obtain expanded higher-order Lie algebras. The expanded higher-order Maurer-Cartan equations for the case G=V 0 +V 1 are found. A dual formulation for the S-expansion multialgebra procedure is also considered. The expanded higher-order Maurer-Cartan equations are recovered from S-expansion formalism by choosing a special semigroup. This dual method could be useful in finding a generalization to the case of a generalized free differential algebra, which may be relevant for physical applications in, e.g., higher-spin gauge theories.

  9. Modular specification and verification for higher-order languages with state

    DEFF Research Database (Denmark)

    Svendsen, Kasper

    The overall topic of this thesis is modular reasoning for higher-order languages with state. The thesis consists of four mostly independent chapters that each deal with a different aspect of reasoning about higher-order languages with state. The unifying theme throughout all four chapters is higher....... The third chapter of the thesis is a case study of the C# joins library. What makes this library interesting as a case study is that it combines a lot of advanced features (higher-order code with effects, concurrency, recursion through the store, shared mutable state, and fine-grained synchronization...

  10. Finding Higher Order Differentials of MISTY1

    Science.gov (United States)

    Tsunoo, Yukiyasu; Saito, Teruo; Kawabata, Takeshi; Nakagawa, Hirokatsu

    MISTY1 is a 64-bit block cipher that has provable security against differential and linear cryptanalysis. MISTY1 is one of the algorithms selected in the European NESSIE project, and it is recommended for Japanese e-Government ciphers by the CRYPTREC project. In this paper, we report on 12th order differentials in 3-round MISTY1 with FL functions and 44th order differentials in 4-round MISTY1 with FL functions both previously unknown. We also report that both data complexity and computational complexity of higher order differential attacks on 6-round MISTY1 with FL functions and 7-round MISTY1 with FL functions using the 46th order differential can be reduced to as much as 1/22 of the previous values by using multiple 44th order differentials simultaneously.

  11. Effects of cosmic-string framework on the thermodynamical properties of anharmonic oscillator using the ordinary statistics and the q-deformed superstatistics approaches

    Energy Technology Data Exchange (ETDEWEB)

    Sobhani, Hadi; Hassanabadi, Hassan [Shahrood University of Technology, Faculty of Physics, Shahrood (Iran, Islamic Republic of); Chung, Won Sang [Gyeongsang National University, Department of Physics and Research Institute of Natural Science, College of Natural Science, Jinju (Korea, Republic of)

    2018-02-15

    In this article, we determine the thermodynamical properties of the anharmonic canonical ensemble within the cosmic-string framework. We use the ordinary statistics and the q-deformed superstatistics for this study. The q-deformed superstatistics is derived by modifying the probability density in the original superstatistics. The Schroedinger equation is rewritten in the cosmic-string framework. Next, the anharmonic oscillator is investigated in detail. The wave function and the energy spectrum of the considered system are derived using the bi-confluent Heun functions. In the next step, we first determine the thermodynamical properties for the canonical ensemble of the anharmonic oscillator in the cosmic-string framework using the ordinary statistics approach. Also, these quantities have been obtained in the q-deformed superstatistics. For vanishing deformation parameter, the ordinary results are obtained. (orig.)

  12. Practical implementation of a higher order transverse leakage approximation

    International Nuclear Information System (INIS)

    Prinsloo, Rian H.; Tomašević

    2011-01-01

    Transverse integrated nodal diffusion methods currently represent the standard in full core neutronic simulation. The primary shortcoming in this approach, be it via the Analytic Nodal Method or Nodal Expansion Method, is the utilization of the quadratic transverse leakage approximation. This approach, although proven to work well for typical LWR problems, is not consistent with the formulation of nodal methods and can cause accuracy and convergence problems. In this work an improved, consistent quadratic leakage approximation is formulated, which derives from the class of higher order nodal methods developed some years ago. In this new approach, only information relevant to describing the transverse leak- age terms in the zero-order nodal equations are obtained from the higher order formalism. The method yields accuracy comparable to full higher order methods, but does not suffer from the same computational burden which these methods typically incur. (author)

  13. Higher class groups of Eichler orders

    International Nuclear Information System (INIS)

    Guo Xuejun; Kuku, Aderemi

    2003-11-01

    In this paper, we prove that if A is a quaternion algebra and Λ an Eichler order in A, then the only p-torsion possible in even dimensional higher class groups Cl 2n (Λ) (n ≥ 1) are for those rational primes p which lie under prime ideals of O F at which Λ are not maximal. (author)

  14. Higher-Order Integral Equation Methods in Computational Electromagnetics

    DEFF Research Database (Denmark)

    Jørgensen, Erik; Meincke, Peter

    Higher-order integral equation methods have been investigated. The study has focused on improving the accuracy and efficiency of the Method of Moments (MoM) applied to electromagnetic problems. A new set of hierarchical Legendre basis functions of arbitrary order is developed. The new basis...

  15. Time-Discrete Higher-Order ALE Formulations: Stability

    KAUST Repository

    Bonito, Andrea

    2013-01-01

    Arbitrary Lagrangian Eulerian (ALE) formulations deal with PDEs on deformable domains upon extending the domain velocity from the boundary into the bulk with the purpose of keeping mesh regularity. This arbitrary extension has no effect on the stability of the PDE but may influence that of a discrete scheme. We examine this critical issue for higher-order time stepping without space discretization. We propose time-discrete discontinuous Galerkin (dG) numerical schemes of any order for a time-dependent advection-diffusion-model problem in moving domains, and study their stability properties. The analysis hinges on the validity of the Reynold\\'s identity for dG. Exploiting the variational structure and assuming exact integration, we prove that our conservative and nonconservative dG schemes are equivalent and unconditionally stable. The same results remain true for piecewise polynomial ALE maps of any degree and suitable quadrature that guarantees the validity of the Reynold\\'s identity. This approach generalizes the so-called geometric conservation law to higher-order methods. We also prove that simpler Runge-Kutta-Radau methods of any order are conditionally stable, that is, subject to a mild ALE constraint on the time steps. Numerical experiments corroborate and complement our theoretical results. © 2013 Society for Industrial and Applied Mathematics.

  16. The Higher Order Structure of Environmental Attitudes: A Cross-Cultural Examination

    Directory of Open Access Journals (Sweden)

    Taciano L. Milfont

    2010-01-01

    Full Text Available Past research has suggested that Preservation and Utilization are the two higher order dimensions forming the hierarchical structure of environmental attitudes. This means that these two higher order dimensions could group all kinds of perceptions or beliefs regarding the natural environment people have. A crosscultural study was conducted in Brazil, New Zealand, and South Africa to test this hierarchical structure of environmental attitudes. Results from single- and multi-group confirmatory factor analyses demonstrated that environmental attitudes are a multidimensional construct, and that their first-order factors associate to each other to form a vertical structure. However, the question whether the vertical structure comprise a single higher order factor or two higher order factors still remains unanswered. These results are discussed and directions for future research trying to demonstrate that Preservation and Utilization, taken as distinct second-order environmental attitudes factors, are more empirically meaningful than a single and generalised environmental attitudes higher order factor are presented.

  17. Higher-order stochastic differential equations and the positive Wigner function

    Science.gov (United States)

    Drummond, P. D.

    2017-12-01

    General higher-order stochastic processes that correspond to any diffusion-type tensor of higher than second order are obtained. The relationship of multivariate higher-order stochastic differential equations with tensor decomposition theory and tensor rank is explained. Techniques for generating the requisite complex higher-order noise are proved to exist either using polar coordinates and γ distributions, or from products of Gaussian variates. This method is shown to allow the calculation of the dynamics of the Wigner function, after it is extended to a complex phase space. The results are illustrated physically through dynamical calculations of the positive Wigner distribution for three-mode parametric downconversion, widely used in quantum optics. The approach eliminates paradoxes arising from truncation of the higher derivative terms in Wigner function time evolution. Anomalous results of negative populations and vacuum scattering found in truncated Wigner quantum simulations in quantum optics and Bose-Einstein condensate dynamics are shown not to occur with this type of stochastic theory.

  18. Higher-order gravity in higher dimensions: geometrical origins of four-dimensional cosmology?

    Energy Technology Data Exchange (ETDEWEB)

    Troisi, Antonio [Universita degli Studi di Salerno, Dipartimento di Fisica ' ' E.R. Caianiello' ' , Salerno (Italy)

    2017-03-15

    Determining the cosmological field equations is still very much debated and led to a wide discussion around different theoretical proposals. A suitable conceptual scheme could be represented by gravity models that naturally generalize Einstein theory like higher-order gravity theories and higher-dimensional ones. Both of these two different approaches allow one to define, at the effective level, Einstein field equations equipped with source-like energy-momentum tensors of geometrical origin. In this paper, the possibility is discussed to develop a five-dimensional fourth-order gravity model whose lower-dimensional reduction could provide an interpretation of cosmological four-dimensional matter-energy components. We describe the basic concepts of the model, the complete field equations formalism and the 5-D to 4-D reduction procedure. Five-dimensional f(R) field equations turn out to be equivalent, on the four-dimensional hypersurfaces orthogonal to the extra coordinate, to an Einstein-like cosmological model with three matter-energy tensors related with higher derivative and higher-dimensional counter-terms. By considering the gravity model with f(R) = f{sub 0}R{sup n} the possibility is investigated to obtain five-dimensional power law solutions. The effective four-dimensional picture and the behaviour of the geometrically induced sources are finally outlined in correspondence to simple cases of such higher-dimensional solutions. (orig.)

  19. Higher-order chaotic oscillator using active bessel filter

    DEFF Research Database (Denmark)

    Lindberg, Erik; Mykolaitis, Gytis; Bumelien, Skaidra

    2010-01-01

    A higher-order oscillator, including a nonlinear unit and an 8th-order low-pass active Bessel filter is described. The Bessel unit plays the role of "three-in-one": a delay line, an amplifier and a filter. Results of hardware experiments and numerical simulation are presented. Depending...

  20. Higher order multipoles and splines in plasma simulations

    International Nuclear Information System (INIS)

    Okuda, H.; Cheng, C.Z.

    1978-01-01

    The reduction of spatial grid effects in plasma simulations has been studied numerically using higher order multipole expansions and the spline method in one dimension. It is found that, while keeping the higher order moments such as quadrupole and octopole moments substantially reduces the grid effects, quadratic and cubic splines in general have better stability properties for numerical plasma simulations when the Debye length is much smaller than the grid size. In particular the spline method may be useful in three-dimensional simulations for plasma confinement where the grid size in the axial direction is much greater than the Debye length. (Auth.)

  1. Higher-order multipoles and splines in plasma simulations

    International Nuclear Information System (INIS)

    Okuda, H.; Cheng, C.Z.

    1977-12-01

    Reduction of spatial grid effects in plasma simulations has been studied numerically using higher order multipole expansions and spline method in one dimension. It is found that, while keeping the higher order moments such as quadrupole and octopole moments substantially reduces the grid effects, quadratic and cubic splines in general have better stability properties for numerical plasma simulations when the Debye length is much smaller than the grid size. In particular, spline method may be useful in three dimensional simulations for plasma confinement where the grid size in the axial direction is much greater than the Debye length

  2. Higher-order dynamical effects in Coulomb dissociation

    International Nuclear Information System (INIS)

    Esbensen, H.

    1994-06-01

    We study the effect of higher-order processes in Coulomb dissociation of 11 Li by numerically solving the three-dimensional time-dependent Schroedinger equation for the relative motion of a di-neutron and the 9 Li core. Comparisons are made to first-order perturbation theory and to measurements. The calculated Coulomb reacceleration effects improve the agreement with experiment, but some discrepancy remains. The effects are much smaller in the dissociation of 11 Be, and they decrease with increasing beam energy. (orig.)

  3. Higher Order Mode Fibers

    DEFF Research Database (Denmark)

    Israelsen, Stine Møller

    This PhD thesis considers higher order modes (HOMs) in optical fibers. That includes their excitation and characteristics. Within the last decades, HOMs have been applied both for space multiplexing in optical communications, group velocity dispersion management and sensing among others......-radial polarization as opposed to the linear polarization of the LP0X modes. The effect is investigated numerically in a double cladding fiber with an outer aircladding using a full vectorial modesolver. Experimentally, the bowtie modes are excited using a long period grating and their free space characteristics...... and polarization state are investigated. For this fiber, the onset of the bowtie effect is shown numerically to be LP011. The characteristics usually associated with Bessel-likes modes such as long diffraction free length and selfhealing are shown to be conserved despite the lack of azimuthal symmetry...

  4. Interactions, strings and isotopies in higher order anisotropic superspaces

    CERN Document Server

    Vacaru, Sergiu Ion

    2001-01-01

    The monograph summarizes the author's results on the geometry of anholonomic and locally anisotropic interactions, published in J. Math. Phys., Nucl. Phys. B, Ann. Phys. (NY), JHEP, Rep. Math. Phys., Int. J. Theor. Phys. and in some former Soviet Union and Romanian scientific journals. The main subjects are in the theory of field interactions, strings and diffusion processes on spaces, superspaces and isospaces with higher order anisotropy and inhomogeneity. The approach proceeds by developing the concept of higher order anisotropic (super)space which unifies the logical and manthematical aspects of modern Kaluza--Klein theories and generalized Lagrange and Finsler geometry and leads to modeling of physical processes on higher order fiber (super)bundles provided with nonlinear and distinguished connections and metric structures. This book can be also considered as a pedagogical survey on the mentioned subjects.

  5. The differential geometry of higher order jets and tangent bundles

    International Nuclear Information System (INIS)

    De Leon, M.; Rodrigues, P.R.

    1985-01-01

    This chapter is devoted to the study of basic geometrical notions required for the development of the main object of the text. Some facts about Jet theory are reviewed. A particular case of Jet manifolds is considered: the tangent bundle of higher order. It is shown that this jet bundle possesses in a canonical way a certain kind of geometric structure, the so called almost tangent structure of higher order, and which is a generalization of the almost tangent geometry of the tangent bundle. Another important fact examined is the extension of the notion of 'spray' to higher order tangent bundles. (Auth.)

  6. Linear matrix differential equations of higher-order and applications

    Directory of Open Access Journals (Sweden)

    Mustapha Rachidi

    2008-07-01

    Full Text Available In this article, we study linear differential equations of higher-order whose coefficients are square matrices. The combinatorial method for computing the matrix powers and exponential is adopted. New formulas representing auxiliary results are obtained. This allows us to prove properties of a large class of linear matrix differential equations of higher-order, in particular results of Apostol and Kolodner are recovered. Also illustrative examples and applications are presented.

  7. Harmonic balance approach to the periodic solutions of the (an)harmonic relativistic oscillator

    International Nuclear Information System (INIS)

    Belendez, Augusto; Pascual, Carolina

    2007-01-01

    The first-order harmonic balance method via the first Fourier coefficient is used to construct two approximate frequency-amplitude relations for the relativistic oscillator for which the nonlinearity (anharmonicity) is a relativistic effect due to the time line dilation along the world line. Making a change of variable, a new nonlinear differential equation is obtained and two procedures are used to approximately solve this differential equation. In the first the differential equation is rewritten in a form that does not contain a square-root expression, while in the second the differential equation is solved directly. The approximate frequency obtained using the second procedure is more accurate than the frequency obtained with the first due to the fact that, in the second procedure, application of the harmonic balance method produces an infinite set of harmonics, while in the first procedure only two harmonics are produced. Both approximate frequencies are valid for the complete range of oscillation amplitudes, and excellent agreement of the approximate frequencies with the exact one are demonstrated and discussed. The discrepancy between the first-order approximate frequency obtained by means of the second procedure and the exact frequency never exceeds 1.6%. We also obtained the approximate frequency by applying the second-order harmonic balance method and in this case the relative error is as low 0.31% for all the range of values of amplitude of oscillation A

  8. Higher order corrections in quantum electrodynamics

    International Nuclear Information System (INIS)

    Rafael, E.

    1977-01-01

    Theoretical contributions to high-order corrections in purely leptonic systems, such as electrons and muons, muonium (μ + e - ) and positronium (e + e - ), are reviewed to establish the validity of quantum electrodynamics (QED). Two types of QED contributions to the anomalous magnetic moments are considered, from diagrams with one fermion type lines and those witn two fermion type lines. The contributions up to eighth order are compared to the data available with a different accuracy. Good agreement is stated within the experimental errors. The experimental accuracy of the muonium hyperfine structure and of the radiative corrections to the decay of positronium are compared to the one attainable in theoretical calculations. The need for a higher precision in both experimental data and theoretical calculations is stated

  9. Errors of first-order probe correction for higher-order probes in spherical near-field antenna measurements

    DEFF Research Database (Denmark)

    Laitinen, Tommi; Nielsen, Jeppe Majlund; Pivnenko, Sergiy

    2004-01-01

    An investigation is performed to study the error of the far-field pattern determined from a spherical near-field antenna measurement in the case where a first-order (mu=+-1) probe correction scheme is applied to the near-field signal measured by a higher-order probe.......An investigation is performed to study the error of the far-field pattern determined from a spherical near-field antenna measurement in the case where a first-order (mu=+-1) probe correction scheme is applied to the near-field signal measured by a higher-order probe....

  10. Polaronic Nonmetal-Correlated Metal Crossover System β'-CuxV2O5 with Anharmonic Copper Oscillation and Thermoelectric Conversion Performance

    Science.gov (United States)

    Onoda, Masashige; Sato, Takuma

    2017-12-01

    The crystal structures and electronic properties of β'CuxV2O5 are explored through measurements of X-ray four-circle diffraction, electrical resistivity, thermoelectric power, thermal conductivity, magnetization, and electron paramagnetic resonance. For various compositions with 0.243 ≤ x ≤ 0.587, the crystal structures are redetermined through the anharmonic approach of the copper displacement factors, where the anharmonicity is reduced with increasing Cu concentration. The electron transport for x ≤ 0.45 is nonmetallic due to polaron hopping and the random potential of Cu ions, while for x = 0.60, a correlated Fermi-liquid state appears with a Wilson ratio of 1.3 and a Kadowaki-Woods ratio close to the universal value for heavy-fermion systems. At around x = 0.50, the polaronic bandwidth may broaden so that the Hubbard subbands caused by the electron correlation will overlap. The nonmetallic composition in the proximity of the nonmetal-metal crossover shows a dimensionless thermoelectric power factor of 10-2 at 300 K, partly due to the anharmonic copper oscillation.

  11. MIMO processing based on higher-order Poincaré spheres

    Science.gov (United States)

    Fernandes, Gil M.; Muga, Nelson J.; Pinto, Armando N.

    2017-08-01

    A multi-input multi-output (MIMO) algorithm based on higher-order Poincaré spheres is demonstrated for space-division multiplexing (SDM) systems. The MIMO algorithm is modulation format agnostic, robust to frequency offset and does not require training sequences. In this approach, the space-multiplexed signal is decomposed in sets of two tributary signals, with each set represented in a higher-order Poincaré sphere. For any arbitrary complex modulation format, the samples of two tributaries can be represented in a given higher-order Poincaré sphere with a symmetry plane. The crosstalk along propagation changes the spatial orientation of this plane and, therefore, it can be compensated by computing and realigning the best fit plane. We show how the transmitted signal can be successfully recovered using this procedure for all possible combinations of tributaries. Moreover, we analyze the convergence speed for the MIMO technique considering several optical-to-noise ratios.

  12. Ward identities of higher order Virasoro algebra

    International Nuclear Information System (INIS)

    Zha Chaozeng; Dolate, S.

    1994-11-01

    The general formulations of primary fields versus quasi-primary ones in the context of high order Virasoro algebra (HOVA) and the corresponding Ward identity are explored. The primary fields of conformal spins up to 8 are given in terms of quasi-primary fields, and the general features of the higher order expressions are also discussed. It is observed that the local fields, either primary of quasi-primary, carry the same numbers of central charges, and not all the primary fields contribute to the anomalies in the Ward identities. (author). 6 refs

  13. Higher order perturbation theory - An example for discussion

    International Nuclear Information System (INIS)

    Lewins, J.D.; Parks, G.; Babb, A.L.

    1986-01-01

    Higher order perturbation theory is developed in the form of a Taylor series expansion to third order to calculate the thermal utilization of a nonuniform cell. The development takes advantage of the self-adjoint property of the diffusion operator to provide a simple development of this illustration of generalized perturbation theory employing scalar perturbation parameters. The results show how a designer might employ a second-order theory to quantify proposed design improvements, together with the limitations of second- and third-order theory. The chosen example has an exact optimization solution and thus provides a clear understanding of the role of perturbation theory at its various orders. Convergence and the computational advantages and disadvantages of the method are discussed

  14. Application of Higher-Order Cumulant in Fault Diagnosis of Rolling Bearing

    International Nuclear Information System (INIS)

    Shen, Yongjun; Yang, Shaopu; Wang, Junfeng

    2013-01-01

    In this paper a new method of pattern recognition based on higher-order cumulant and envelope analysis is presented. The core of this new method is to construct analytical signals from the given signals and obtain the envelope signals firstly, then compute and compare the higher-order cumulants of the envelope signals. The higher-order cumulants could be used as a characteristic quantity to distinguish these given signals. As an example, this method is applied in fault diagnosis for 197726 rolling bearing of freight locomotive. The comparisons of the second-order, third-order and fourth-order cumulants of the envelope signals from different vibration signals of rolling bearing show this new method could discriminate the normal and two fault signals distinctly

  15. Higher-order risk preferences in social settings.

    Science.gov (United States)

    Heinrich, Timo; Mayrhofer, Thomas

    2018-01-01

    We study prudence and temperance (next to risk aversion) in social settings. Previous experimental studies have shown that these higher-order risk preferences affect the choices of individuals deciding privately on lotteries that only affect their own payoff. Yet, many risky and financially relevant decisions are made in the social settings of households or organizations. We elicit higher-order risk preferences of individuals and systematically vary how an individual's decision is made (alone or while communicating with a partner) and who is affected by the decision (only the individual or the partner as well). In doing so, we can isolate the effects of other-regarding concerns and communication on choices. Our results reveal that the majority of choices are risk averse, prudent, and temperate across social settings. We also observe that individuals are influenced significantly by the preferences of a partner when they are able to communicate and choices are payoff-relevant for both of them.

  16. Mathematics Teachers’ Interpretation of Higher-Order Thinking in Bloom’s Taxonomy

    OpenAIRE

    Tony Thompson

    2008-01-01

    This study investigated mathematics teachers’ interpretation of higher-order thinking in Bloom’s Taxonomy. Thirty-two high school mathematics teachers from the southeast U.S. were asked to (a) define lower- and higher-order thinking, (b) identify which thinking skills in Bloom’s Taxonomy represented lower- and higher-order thinking, and (c) create an Algebra I final exam item representative of each thinking skill. Results indicate that mathematics teachers have difficulty interpreting the thi...

  17. Higher-Order Finite Element Solutions of Option Prices

    DEFF Research Database (Denmark)

    Raahauge, Peter

    2004-01-01

    Kinks and jumps in the payoff function of option contracts prevent an effectiveimplementation of higher-order numerical approximation methods. Moreover, thederivatives (the greeks) are not easily determined around such singularities, even withstandard lower-order methods. This paper suggests...... for prices as well as for first and second order derivatives(delta and gamma). Unlike similar studies, numerical approximation errors aremeasured both as weighted averages and in the supnorm over a state space includingtime-to-maturities down to a split second.KEYWORDS: Numerical option pricing, Transformed...

  18. The Cauchy problem for higher order abstract differential equations

    CERN Document Server

    Xiao, Ti-Jun

    1998-01-01

    This monograph is the first systematic exposition of the theory of the Cauchy problem for higher order abstract linear differential equations, which covers all the main aspects of the developed theory. The main results are complete with detailed proofs and established recently, containing the corresponding theorems for first and incomplete second order cases and therefore for operator semigroups and cosine functions. They will find applications in many fields. The special power of treating the higher order problems directly is demonstrated, as well as that of the vector-valued Laplace transforms in dealing with operator differential equations and operator families. The reader is expected to have a knowledge of complex and functional analysis.

  19. Comparing higher order models for the EORTC QLQ-C30

    DEFF Research Database (Denmark)

    Gundy, Chad M; Fayers, Peter M; Grønvold, Mogens

    2012-01-01

    To investigate the statistical fit of alternative higher order models for summarizing the health-related quality of life profile generated by the EORTC QLQ-C30 questionnaire.......To investigate the statistical fit of alternative higher order models for summarizing the health-related quality of life profile generated by the EORTC QLQ-C30 questionnaire....

  20. The influence of anharmonic core vibrations in the X-ray bond charge analysis of A/sup N/B/sup 8-N/ compounds

    International Nuclear Information System (INIS)

    Pietsch, U.

    1982-01-01

    X-ray structure amplitudes of elemental and A 3 B 5 semiconductors can be described by means of spherical atomic form factors and an additional scattered particle at the position of the centre of the covalent bond between next neighbours named bond charge. For this analysis anharmonic core vibrations were neglegted. In this note the influence is estimated of anharmonic core vibrations on the total structure amplitudes of some zinc-blende compounds (GaAs, ZnSe, CuBr, InSb, and CuCl)

  1. Scalar brane backgrounds in higher order curvature gravity

    International Nuclear Information System (INIS)

    Charmousis, Christos; Davis, Stephen C.; Dufaux, Jean-Francois

    2003-01-01

    We investigate maximally symmetric brane world solutions with a scalar field. Five-dimensional bulk gravity is described by a general lagrangian which yields field equations containing no higher than second order derivatives. This includes the Gauss-Bonnet combination for the graviton. Stability and gravitational properties of such solutions are considered, and we particularly emphasise the modifications induced by the higher order terms. In particular it is shown that higher curvature corrections to Einstein theory can give rise to instabilities in brane world solutions. A method for analytically obtaining the general solution for such actions is outlined. Generically, the requirement of a finite volume element together with the absence of a naked singularity in the bulk imposes fine-tuning of the brane tension. A model with a moduli scalar field is analysed in detail and we address questions of instability and non-singular self-tuning solutions. In particular, we discuss a case with a normalisable zero mode but infinite volume element. (author)

  2. Higher-order RANS turbulence models for separated flows

    Data.gov (United States)

    National Aeronautics and Space Administration — Higher-order Reynolds-averaged Navier-Stokes (RANS) models are developed to overcome the shortcomings of second-moment RANS models in predicting separated flows....

  3. Higher order mode damping of a higher harmonic superconducting cavity for SSRF

    International Nuclear Information System (INIS)

    Yu Haibo; Liu Jianfei; Hou Hongtao; Ma Zhenyu; Feng Xiqiang; Mao Dongqing

    2012-01-01

    Adopting a higher harmonic cavity on a synchrotron radiation facility can increase the beam lifetime and suppress the beam instability. In this paper, we report the simulation and preliminary design on higher order modes (HOMs) damping of the designed and fabricated higher harmonic superconducting cavity for Shanghai Synchrotron Radiation Facility (SSRF). The requirements for the HOM damping are analyzed, and the length and location of the HOM damper are optimized by using the SEAFISH code. The results show that the design can provide heavy damping for harmful HOMs with decreased impedance, and the beam instability requirement of SSRF can be satisfied. By using the ABCI code, the loss factor is obtained and the HOM power is estimated. (authors)

  4. The power of non-determinism in higher-order implicit complexity

    DEFF Research Database (Denmark)

    Kop, Cynthia Louisa Martina; Simonsen, Jakob Grue

    2017-01-01

    We investigate the power of non-determinism in purely functional programming languages with higher-order types. Specifically, we consider cons-free programs of varying data orders, equipped with explicit non-deterministic choice. Cons-freeness roughly means that data constructors cannot occur...... in function bodies and all manipulation of storage space thus has to happen indirectly using the call stack. While cons-free programs have previously been used by several authors to characterise complexity classes, the work on non-deterministic programs has almost exclusively considered programs of data order...... 0. Previous work has shown that adding explicit non-determinism to consfree programs taking data of order 0 does not increase expressivity; we prove that this—dramatically—is not the case for higher data orders: adding non-determinism to programs with data order at least 1 allows...

  5. PRE-SERVICE MATHEMATICS TEACHERS’ CONCEPTION OF HIGHER-ORDER THINKING LEVEL IN BLOOM'S TAXONOMY

    OpenAIRE

    Damianus D Samo

    2017-01-01

    The purpose of this study is to explore pre-service mathematics teachers' conception of higher-order thinking in Bloom's Taxonomy, to explore pre-service mathematics teachers' ability in categorizing six cognitive levels of Bloom's Taxonomy as lower-order thinking and higher-order thinking, and pre-service mathematics teachers' ability in identifying some questionable items as lower-order and higher-order thinking. The higher-order thinking is the type of non-algorithm thinking which include ...

  6. Wigner higher-order spectra: definition, properties, computation and application to transient signal analysis

    OpenAIRE

    Rodríguez Fonollosa, Javier; Nikias, Chrysostomos L.

    1993-01-01

    The Wigner higher order moment spectra (WHOS) are defined as extensions of the Wigner-Ville distribution (WD) to higher order moment spectra domains. A general class of time-frequency higher order moment spectra is also defined in terms of arbitrary higher order moments of the signal as generalizations of the Cohen’s general class of time-frequency representations. The properties of the general class of time-frequency higher order moment spectra can be related to the properties...

  7. Intrinsic anharmonic effects on the phonon frequencies and effective spin-spin interactions in a quantum simulator made from trapped ions in a linear Paul trap

    Science.gov (United States)

    McAneny, M.; Freericks, J. K.

    2014-11-01

    The Coulomb repulsion between ions in a linear Paul trap gives rise to anharmonic terms in the potential energy when expanded about the equilibrium positions. We examine the effect of these anharmonic terms on the accuracy of a quantum simulator made from trapped ions. To be concrete, we consider a linear chain of Yb171+ ions stabilized close to the zigzag transition. We find that for typical experimental temperatures, frequencies change by no more than a factor of 0.01 % due to the anharmonic couplings. Furthermore, shifts in the effective spin-spin interactions (driven by a spin-dependent optical dipole force) are also, in general, less than 0.01 % for detunings to the blue of the transverse center-of-mass frequency. However, detuning the spin interactions near other frequencies can lead to non-negligible anharmonic contributions to the effective spin-spin interactions. We also examine an odd behavior exhibited by the harmonic spin-spin interactions for a range of intermediate detunings, where nearest-neighbor spins with a larger spatial separation on the ion chain interact more strongly than nearest neighbors with a smaller spatial separation.

  8. Higher-order Skyrme hair of black holes

    Science.gov (United States)

    Gudnason, Sven Bjarke; Nitta, Muneto

    2018-05-01

    Higher-order derivative terms are considered as replacement for the Skyrme term in an Einstein-Skyrme-like model in order to pinpoint which properties are necessary for a black hole to possess stable static scalar hair. We find two new models able to support stable black hole hair in the limit of the Skyrme term being turned off. They contain 8 and 12 derivatives, respectively, and are roughly the Skyrme-term squared and the so-called BPS-Skyrme-term squared. In the twelfth-order model we find that the lower branches, which are normally unstable, become stable in the limit where the Skyrme term is turned off. We check this claim with a linear stability analysis. Finally, we find for a certain range of the gravitational coupling and horizon radius, that the twelfth-order model contains 4 solutions as opposed to 2. More surprisingly, the lowest part of the would-be unstable branch turns out to be the stable one of the 4 solutions.

  9. Higher order mode damping in Kaon factory RF cavities

    International Nuclear Information System (INIS)

    Enegren, T.; Poirier, R.; Griffin, J.; Walling, L.; Thiessen, H.A.; Smythe, W.R.

    1989-05-01

    Proposed designs for Kaon factory accelerators require that the rf cavities support beam currents on the order of several amperes. The beam current has Fourier components at all multiples of the rf frequency. Empty rf buckets produce additional components at all multiples of the revolution frequency. If a Fourier component of the beam coincides with the resonant frequency of a higher order mode of the cavity, which is inevitable if the cavity has a large frequency swing, significant excitation of this mode can occur. The induced voltage may then excite coupled bunch mode instabilities. Effective means are required to damp higher order modes without significantly affecting the fundamental mode. A mode damping scheme based on coupled transmission lines has been investigated and is report

  10. Higher Order, Hybrid BEM/FEM Methods Applied to Antenna Modeling

    Science.gov (United States)

    Fink, P. W.; Wilton, D. R.; Dobbins, J. A.

    2002-01-01

    In this presentation, the authors address topics relevant to higher order modeling using hybrid BEM/FEM formulations. The first of these is the limitation on convergence rates imposed by geometric modeling errors in the analysis of scattering by a dielectric sphere. The second topic is the application of an Incomplete LU Threshold (ILUT) preconditioner to solve the linear system resulting from the BEM/FEM formulation. The final tOpic is the application of the higher order BEM/FEM formulation to antenna modeling problems. The authors have previously presented work on the benefits of higher order modeling. To achieve these benefits, special attention is required in the integration of singular and near-singular terms arising in the surface integral equation. Several methods for handling these terms have been presented. It is also well known that achieving he high rates of convergence afforded by higher order bases may als'o require the employment of higher order geometry models. A number of publications have described the use of quadratic elements to model curved surfaces. The authors have shown in an EFIE formulation, applied to scattering by a PEC .sphere, that quadratic order elements may be insufficient to prevent the domination of modeling errors. In fact, on a PEC sphere with radius r = 0.58 Lambda(sub 0), a quartic order geometry representation was required to obtain a convergence benefi.t from quadratic bases when compared to the convergence rate achieved with linear bases. Initial trials indicate that, for a dielectric sphere of the same radius, - requirements on the geometry model are not as severe as for the PEC sphere. The authors will present convergence results for higher order bases as a function of the geometry model order in the hybrid BEM/FEM formulation applied to dielectric spheres. It is well known that the system matrix resulting from the hybrid BEM/FEM formulation is ill -conditioned. For many real applications, a good preconditioner is required

  11. Higher Order Thinking Skills among Secondary School Students in Science Learning

    Science.gov (United States)

    Saido, Gulistan Mohammed; Siraj, Saedah; Bin Nordin, Abu Bakar; Al Amedy, Omed Saadallah

    2015-01-01

    A central goal of science education is to help students to develop their higher order thinking skills to enable them to face the challenges of daily life. Enhancing students' higher order thinking skills is the main goal of the Kurdish Science Curriculum in the Iraqi-Kurdistan region. This study aimed at assessing 7th grade students' higher order…

  12. Student's Perceived Level and Teachers' Teaching Strategies of Higher Order Thinking Skills: A Study on Higher Educational Institutions in Thailand

    Science.gov (United States)

    Shukla, Divya; Dungsungnoen, Aj Pattaradanai

    2016-01-01

    Higher order thinking skills (HOTS) has portrayed immense industry demand and the major goal of educational institution in imparting education is to inculcate higher order thinking skills. This compiles and mandate the institutions and instructor to develop the higher order thinking skills among students in order to prepare them for effective…

  13. Vibrational spectra and thermal rectification in three-dimensional anharmonic lattices

    International Nuclear Information System (INIS)

    Lan Jinghua; Li Baowen

    2007-01-01

    We study thermal rectification in a three-dimensional model consisting of two segments of anharmonic lattices. One segment consists of layers of harmonic oscillator arrays coupled to a substrate potential, which is a three-dimensional Frenkel-Kontorova model, and the other segment is a three-dimensional Fermi-Pasta-Ulam model. We study the vibrational bands of the two lattices analytically and numerically, and find that, by choosing the system parameters properly, the rectification can be as high as a few thousands, which is high enough to be observed in experiment. Possible experiments in nanostructures are discussed

  14. Verifying object-oriented programs with higher-order separation logic in Coq

    DEFF Research Database (Denmark)

    Bengtson, Jesper; Jensen, Jonas Braband; Sieczkowski, Filip

    2011-01-01

    We present a shallow Coq embedding of a higher-order separation logic with nested triples for an object-oriented programming language. Moreover, we develop novel specification and proof patterns for reasoning in higher-order separation logic with nested triples about programs that use interfaces...... and interface inheritance. In particular, we show how to use the higher-order features of the Coq formalisation to specify and reason modularly about programs that (1) depend on some unknown code satisfying a specification or that (2) return objects conforming to a certain specification. All of our results have...

  15. Higher-order structure of Saccharomyces cerevisiae chromatin

    International Nuclear Information System (INIS)

    Lowary, P.T.; Widom, J.

    1989-01-01

    We have developed a method for partially purifying chromatin from Saccharomyces cerevisiae (baker's yeast) to a level suitable for studies of its higher-order folding. This has required the use of yeast strains that are free of the ubiquitous yeast killer virus. Results from dynamic light scattering, electron microscopy, and x-ray diffraction show that the yeast chromatin undergoes a cation-dependent folding into 30-nm filaments that resemble those characteristic of higher-cell chromatin; moreover, the packing of nucleosomes within the yeast 30-nm filaments is similar to that of higher cells. These results imply that yeast has a protein or protein domain that serves the role of the histone H 1 found in higher cells; physical and genetic studies of the yeast activity could help elucidate the structure and function of H 1. Images of the yeast 30-nm filaments can be used to test crossed-linker models for 30-nm filament structure

  16. Higher-order force moments of active particles

    Science.gov (United States)

    Nasouri, Babak; Elfring, Gwynn J.

    2018-04-01

    Active particles moving through fluids generate disturbance flows due to their activity. For simplicity, the induced flow field is often modeled by the leading terms in a far-field approximation of the Stokes equations, whose coefficients are the force, torque, and stresslet (zeroth- and first-order force moments) of the active particle. This level of approximation is quite useful, but may also fail to predict more complex behaviors that are observed experimentally. In this study, to provide a better approximation, we evaluate the contribution of the second-order force moments to the flow field and, by reciprocal theorem, present explicit formulas for the stresslet dipole, rotlet dipole, and potential dipole for an arbitrarily shaped active particle. As examples of this method, we derive modified Faxén laws for active spherical particles and resolve higher-order moments for active rod-like particles.

  17. Analysis and Improvement of the Generic Higher-Order Masking Scheme of FSE 2012

    OpenAIRE

    Roy, Arnab; Venkatesh, Srinivas Vivek

    2013-01-01

    Masking is a well-known technique used to prevent block cipher implementations from side-channel attacks. Higher-order side channel attacks (e.g. higher-order DPA attack) on widely used block cipher like AES have motivated the design of efficient higher-order masking schemes. Indeed, it is known that as the masking order increases, the difficulty of side-channel attack increases exponentially. However, the main problem in higher-order masking is to design an efficient and secure technique for...

  18. A quantum anharmonic oscillator model for the stock market

    Science.gov (United States)

    Gao, Tingting; Chen, Yu

    2017-02-01

    A financially interpretable quantum model is proposed to study the probability distributions of the stock price return. The dynamics of a quantum particle is considered an analog of the motion of stock price. Then the probability distributions of price return can be computed from the wave functions that evolve according to Schrodinger equation. Instead of a harmonic oscillator in previous studies, a quantum anharmonic oscillator is applied to the stock in liquid market. The leptokurtic distributions of price return can be reproduced by our quantum model with the introduction of mixed-state and multi-potential. The trend following dominant market, in which the price return follows a bimodal distribution, is discussed as a specific case of the illiquid market.

  19. Recurrent activity in higher order, modality non-specific brain regions

    DEFF Research Database (Denmark)

    Lou, Hans Olav Christensen; Joensson, Morten; Biermann-Ruben, Katja

    2011-01-01

    It has been proposed that the workings of the brain are mainly intrinsically generated recurrent neuronal activity, with sensory inputs as modifiers of such activity in both sensory and higher order modality non-specific regions. This is supported by the demonstration of recurrent neuronal activity...... in the visual system as a response to visual stimulation. In contrast recurrent activity has never been demonstrated before in higher order modality non-specific regions. Using magneto-encephalography and Granger causality analysis, we tested in a paralimbic network the hypothesis that stimulation may enhance...... causal recurrent interaction between higher-order, modality non-specific regions. The network includes anterior cingulate/medial prefrontal and posterior cingulate/medial parietal cortices together with pulvinar thalami, a network known to be effective in autobiographic memory retrieval and self...

  20. Visualization and processing of higher order descriptors for multi-valued data

    CERN Document Server

    Schultz, Thomas

    2015-01-01

    Modern imaging techniques and computational simulations yield complex multi-valued data that require higher-order mathematical descriptors. This book addresses topics of importance when dealing with such data, including frameworks for image processing, visualization, and statistical analysis of higher-order descriptors. It also provides examples of the successful use of higher-order descriptors in specific applications and a glimpse of the next generation of diffusion MRI. To do so, it combines contributions on new developments, current challenges in this area, and state-of-the-art surveys.   Compared to the increasing importance of higher-order descriptors in a range of applications, tools for analysis and processing are still relatively hard to come by. Even though application areas such as medical imaging, fluid dynamics, and structural mechanics are very different in nature they face many shared challenges. This book provides an interdisciplinary perspective on this topic with contributions from key rese...

  1. Analysis of warping deformation modes using higher order ANCF beam element

    Science.gov (United States)

    Orzechowski, Grzegorz; Shabana, Ahmed A.

    2016-02-01

    Most classical beam theories assume that the beam cross section remains a rigid surface under an arbitrary loading condition. However, in the absolute nodal coordinate formulation (ANCF) continuum-based beams, this assumption can be relaxed allowing for capturing deformation modes that couple the cross-section deformation and beam bending, torsion, and/or elongation. The deformation modes captured by ANCF finite elements depend on the interpolating polynomials used. The most widely used spatial ANCF beam element employs linear approximation in the transverse direction, thereby restricting the cross section deformation and leading to locking problems. The objective of this investigation is to examine the behavior of a higher order ANCF beam element that includes quadratic interpolation in the transverse directions. This higher order element allows capturing warping and non-uniform stretching distribution. Furthermore, this higher order element allows for increasing the degree of continuity at the element interface. It is shown in this paper that the higher order ANCF beam element can be used effectively to capture warping and eliminate Poisson locking that characterizes lower order ANCF finite elements. It is also shown that increasing the degree of continuity requires a special attention in order to have acceptable results. Because higher order elements can be more computationally expensive than the lower order elements, the use of reduced integration for evaluating the stress forces and the use of explicit and implicit numerical integrations to solve the nonlinear dynamic equations of motion are investigated in this paper. It is shown that the use of some of these integration methods can be very effective in reducing the CPU time without adversely affecting the solution accuracy.

  2. The geometry of higher-order Lagrange spaces applications to mechanics and physics

    CERN Document Server

    Miron, Radu

    1997-01-01

    This monograph is devoted to the problem of the geometrizing of Lagrangians which depend on higher-order accelerations It presents a construction of the geometry of the total space of the bundle of the accelerations of order k>=1 A geometrical study of the notion of the higher-order Lagrange space is conducted, and the old problem of prolongation of Riemannian spaces to k-osculator manifolds is solved Also, the geometrical ground for variational calculus on the integral of actions involving higher-order Lagrangians is dealt with Applications to higher-order analytical mechanics and theoretical physics are included as well Audience This volume will be of interest to scientists whose work involves differential geometry, mechanics of particles and systems, calculus of variation and optimal control, optimization, optics, electromagnetic theory, and biology

  3. Higher-Order Spectrum in Understanding Nonlinearity in EEG Rhythms

    Directory of Open Access Journals (Sweden)

    Cauchy Pradhan

    2012-01-01

    Full Text Available The fundamental nature of the brain's electrical activities recorded as electroencephalogram (EEG remains unknown. Linear stochastic models and spectral estimates are the most common methods for the analysis of EEG because of their robustness, simplicity of interpretation, and apparent association with rhythmic behavioral patterns in nature. In this paper, we extend the use of higher-order spectrum in order to indicate the hidden characteristics of EEG signals that simply do not arise from random processes. The higher-order spectrum is an extension Fourier spectrum that uses higher moments for spectral estimates. This essentially nullifies all Gaussian random effects, therefore, can reveal non-Gaussian and nonlinear characteristics in the complex patterns of EEG time series. The paper demonstrates the distinguishing features of bispectral analysis for chaotic systems, filtered noises, and normal background EEG activity. The bispectrum analysis detects nonlinear interactions; however, it does not quantify the coupling strength. The squared bicoherence in the nonredundant region has been estimated to demonstrate nonlinear coupling. The bicoherence values are minimal for white Gaussian noises (WGNs and filtered noises. Higher bicoherence values in chaotic time series and normal background EEG activities are indicative of nonlinear coupling in these systems. The paper shows utility of bispectral methods as an analytical tool in understanding neural process underlying human EEG patterns.

  4. Higher-order neural network software for distortion invariant object recognition

    Science.gov (United States)

    Reid, Max B.; Spirkovska, Lilly

    1991-01-01

    The state-of-the-art in pattern recognition for such applications as automatic target recognition and industrial robotic vision relies on digital image processing. We present a higher-order neural network model and software which performs the complete feature extraction-pattern classification paradigm required for automatic pattern recognition. Using a third-order neural network, we demonstrate complete, 100 percent accurate invariance to distortions of scale, position, and in-plate rotation. In a higher-order neural network, feature extraction is built into the network, and does not have to be learned. Only the relatively simple classification step must be learned. This is key to achieving very rapid training. The training set is much smaller than with standard neural network software because the higher-order network only has to be shown one view of each object to be learned, not every possible view. The software and graphical user interface run on any Sun workstation. Results of the use of the neural software in autonomous robotic vision systems are presented. Such a system could have extensive application in robotic manufacturing.

  5. Covariant quantization of infinite spin particle models, and higher order gauge theories

    International Nuclear Information System (INIS)

    Edgren, Ludde; Marnelius, Robert

    2006-01-01

    Further properties of a recently proposed higher order infinite spin particle model are derived. Infinitely many classically equivalent but different Hamiltonian formulations are shown to exist. This leads to a condition of uniqueness in the quantization process. A consistent covariant quantization is shown to exist. Also a recently proposed supersymmetric version for half-odd integer spins is quantized. A general algorithm to derive gauge invariances of higher order Lagrangians is given and applied to the infinite spin particle model, and to a new higher order model for a spinning particle which is proposed here, as well as to a previously given higher order rigid particle model. The latter two models are also covariantly quantized

  6. An Efficient Higher-Order Quasilinearization Method for Solving Nonlinear BVPs

    Directory of Open Access Journals (Sweden)

    Eman S. Alaidarous

    2013-01-01

    Full Text Available In this research paper, we present higher-order quasilinearization methods for the boundary value problems as well as coupled boundary value problems. The construction of higher-order convergent methods depends on a decomposition method which is different from Adomain decomposition method (Motsa and Sibanda, 2013. The reported method is very general and can be extended to desired order of convergence for highly nonlinear differential equations and also computationally superior to proposed iterative method based on Adomain decomposition because our proposed iterative scheme avoids the calculations of Adomain polynomials and achieves the same computational order of convergence as authors have claimed in Motsa and Sibanda, 2013. In order to check the validity and computational performance, the constructed iterative schemes are also successfully applied to bifurcation problems to calculate the values of critical parameters. The numerical performance is also tested for one-dimension Bratu and Frank-Kamenetzkii equations.

  7. A Linear-Elasticity Solver for Higher-Order Space-Time Mesh Deformation

    Science.gov (United States)

    Diosady, Laslo T.; Murman, Scott M.

    2018-01-01

    A linear-elasticity approach is presented for the generation of meshes appropriate for a higher-order space-time discontinuous finite-element method. The equations of linear-elasticity are discretized using a higher-order, spatially-continuous, finite-element method. Given an initial finite-element mesh, and a specified boundary displacement, we solve for the mesh displacements to obtain a higher-order curvilinear mesh. Alternatively, for moving-domain problems we use the linear-elasticity approach to solve for a temporally discontinuous mesh velocity on each time-slab and recover a continuous mesh deformation by integrating the velocity. The applicability of this methodology is presented for several benchmark test cases.

  8. Higher-order-mode damper as beam-position monitors; Higher-Order-Mode Daempfer als Stahllagemonitore

    Energy Technology Data Exchange (ETDEWEB)

    Peschke, C.

    2006-03-15

    In the framework of this thesis a beam-position monitor was developed, which can only because of the signals from the HOM dampers of a linear-accelerator structure determine the beam position with high accuracy. For the unique determination of the beam position in the plane a procedure was developed, which uses the amplitudes and the start-phase difference between a dipole mode and a higher monopole mode. In order tocheck the suitability of the present SBLC-HOM damper as beam position monitor three-dimensional numerical field calculations in the frequency and time range and measurements on the damper cell were performed. For the measurements without beam a beam simulator was constructed, which allows computer-driven measurements with variable depositions of the simulated beam with a resolution of 1.23 {mu}m. Because the complete 6 m long, 180-cell accelerator structure was not available for measurements and could also with the available computers not be three-dimensionally simulated simulated, a one-dimensional equivalent-circuit based model of the multi-cell was studied. The equivalent circuits with 879 concentrated components regards the detuning from cell to cell, the cell losses, the damper losses, and the beam excitation in dependence on the deposition. the measurements and simulations let a resolution of the ready beam-position monitor on the 180-cell in the order of magnitude of 1-10 {mu}m and a relative accuracy smaller 6.2% be expected.

  9. Thermal behaviour of the Debye-Waller factor and the specific heat of anharmonic crystals

    International Nuclear Information System (INIS)

    Lima, R.A.T. de; Tsallis, C.

    1979-08-01

    The influence of the cubic and quartic crystalline anharmonicity on the classical and quantum thermal behaviour of the specific heat, Debye temperaturetheta, Debye-Waller factor W, crystalline expansion and phonon spectrum is studied, within the framework of the Variational Method in Statistical Mechanics. The sistems, mainly focalized are the single oscillator, the mono-atomic linear chain and simple cubic crystal. The trial Hamiltonian is an harmonic one, therefore the various anharmonic influences are mainly absorbed into the renormalization of theta(T). Several differences between the classical and quantum results are exhibited. Satisfactory qualitative agreement with experience was obtained in the low-temperature regime, in particular in what concerns the existence of a minimum in theta(T) which has been observed in Cu, Al, Ag, Au and Pb. For the intermediate-temperature regime the customary linear behaviour of W(T) (hence theta(T) almost constant) is reobtained. Finally in the high-temperature regime, the present treatment leads to a √T - dependence for the W-factor, which implies in the wrong curvature with respect to experimental data. A possible explanation of this disagreement might be related to the melting phenomenon, which is not covered by the present theory. (Author) [pt

  10. Higher-Order Hierarchical Legendre Basis Functions in Applications

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter

    2007-01-01

    The higher-order hierarchical Legendre basis functions have been developed for effective solution of integral equations with the method of moments. They are derived from orthogonal Legendre polynomials modified to enforce normal continuity between neighboring mesh elements, while preserving a high...

  11. Reconsidering harmonic and anharmonic coherent states: Partial differential equations approach

    Energy Technology Data Exchange (ETDEWEB)

    Toutounji, Mohamad, E-mail: Mtoutounji@uaeu.ac.ae

    2015-02-15

    This article presents a new approach to dealing with time dependent quantities such as autocorrelation function of harmonic and anharmonic systems using coherent states and partial differential equations. The approach that is normally used to evaluate dynamical quantities involves formidable operator algebra. That operator algebra becomes insurmountable when employing Morse oscillator coherent states. This problem becomes even more complicated in case of Morse oscillator as it tends to exhibit divergent dynamics. This approach employs linear partial differential equations, some of which may be solved exactly and analytically, thereby avoiding the cumbersome noncommutative algebra required to manipulate coherent states of Morse oscillator. Additionally, the arising integrals while using the herein presented method feature stability and high numerical efficiency. The correctness, applicability, and utility of the above approach are tested by reproducing the partition and optical autocorrelation function of the harmonic oscillator. A closed-form expression for the equilibrium canonical partition function of the Morse oscillator is derived using its coherent states and partial differential equations. Also, a nonequilibrium autocorrelation function expression for weak electron–phonon coupling in condensed systems is derived for displaced Morse oscillator in electronic state. Finally, the utility of the method is demonstrated through further simplifying the Morse oscillator partition function or autocorrelation function expressions reported by other researchers in unevaluated form of second-order derivative exponential. Comparison with exact dynamics shows identical results.

  12. Approximation methods for the partition functions of anharmonic systems

    International Nuclear Information System (INIS)

    Lew, P.; Ishida, T.

    1979-07-01

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

  13. Higher order BLG supersymmetry transformations from 10-dimensional super Yang Mills

    Energy Technology Data Exchange (ETDEWEB)

    Hall, John [Alumnus of Physics Department, Imperial College,South Kensington, London, SW7 2AZ (United Kingdom); Low, Andrew [Physics Department, Wimbledon High School,Mansel Road, London, SW19 4AB (United Kingdom)

    2014-06-26

    We study a Simple Route for constructing the higher order Bagger-Lambert-Gustavsson theory - both supersymmetry transformations and Lagrangian - starting from knowledge of only the 10-dimensional Super Yang Mills Fermion Supersymmetry transformation. We are able to uniquely determine the four-derivative order corrected supersymmetry transformations, to lowest non-trivial order in Fermions, for the most general three-algebra theory. For the special case of Euclidean three-algbera, we reproduce the result presented in arXiv:1207.1208, with significantly less labour. In addition, we apply our method to calculate the quadratic fermion terms in the higher order BLG fermion supersymmetry transformation.

  14. Hamiltonian formulation of theory with higher order derivatives

    International Nuclear Information System (INIS)

    Gitman, D.M.; Lyakhovich, S.L.; Tyutin, I.V.

    1983-01-01

    A method of ''hamiltonization'' of a special theory with higher order derivatives is described. In a nonspecial case the result coincides with the known Ostrogradsky formulation. It is shown that in the nonspecial theory the lagrange equations of motion are reduced to the normal form

  15. Remark on the solution of the Schroedinger equation for anharmonic oscillators via the Feynman path integral

    International Nuclear Information System (INIS)

    Rezende, J.

    1983-01-01

    We give a simple proof of Feynman's formula for the Green's function of the n-dimensional harmonic oscillator valid for every time t with Im t<=0. As a consequence the Schroedinger equation for the anharmonic oscillator is integrated and expressed by the Feynman path integral on Hilbert space. (orig.)

  16. Higher order polynomial expansion nodal method for hexagonal core neutronics analysis

    International Nuclear Information System (INIS)

    Jin, Young Cho; Chang, Hyo Kim

    1998-01-01

    A higher-order polynomial expansion nodal(PEN) method is newly formulated as a means to improve the accuracy of the conventional PEN method solutions to multi-group diffusion equations in hexagonal core geometry. The new method is applied to solving various hexagonal core neutronics benchmark problems. The computational accuracy of the higher order PEN method is then compared with that of the conventional PEN method, the analytic function expansion nodal (AFEN) method, and the ANC-H method. It is demonstrated that the higher order PEN method improves the accuracy of the conventional PEN method and that it compares very well with the other nodal methods like the AFEN and ANC-H methods in accuracy

  17. Coaxial higher-order mode damper employing a high-pass filter

    International Nuclear Information System (INIS)

    Kang, Y.W.; Jiang, X.

    1997-01-01

    Two different types of coaxial higher-order mode (HOM) dampers have been investigated for the Advanced Photon Source (APS) storage ring cavities: e-probe dampers and h-loop dampers. Realization of the h-loop dampers has been difficult because the loop antenna couples not only to the HOMs but also to the accelerating mode and results in loss of Q at the fundamental frequency. Previously, a first-order fundamental rejection filter was tested with unsatisfactory rejection characteristics. This problem can be overcome by using a higher-order high-pass filter between the loop and the matched load. Prototype dampers have been fabricated and tested in a storage ring single-cell cavity and the damping characteristic was analyzed

  18. A finite deformation theory of higher-order gradient crystal plasticity

    DEFF Research Database (Denmark)

    Kuroda, Mitsutoshi; Tvergaard, Viggo

    2008-01-01

    crystal plasticity that is based on an assumption of the existence of higher-order stresses. Furthermore, a boundary-value problem for simple shear of a constrained thin strip is studied numerically, and some characteristic features of finite deformation are demonstrated through a comparison to a solution......For higher-order gradient crystal plasticity, a finite deformation formulation is presented. The theory does not deviate much from the conventional crystal plasticity theory. Only a back stress effect and additional differential equations for evolution of the geometrically necessary dislocation...

  19. Ultra-compact Higher-Order-Mode Pass Filter in a Silicon Waveguide

    DEFF Research Database (Denmark)

    Guan, Xiaowei; Frandsen, Lars Hagedorn; Ding, Yunhong

    2015-01-01

    An 3.7 μm long higher-order-mode pass filter with an extinction ratio larger than 20 dB is demonstrated in a 1D corrugated silicon multimode waveguide......An 3.7 μm long higher-order-mode pass filter with an extinction ratio larger than 20 dB is demonstrated in a 1D corrugated silicon multimode waveguide...

  20. Analysis of Scattering by Inhomogeneous Dielectric Objects Using Higher-Order Hierarchical MoM

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter

    2003-01-01

    An efficient technique for the analysis of electromagnetic scattering by arbitrary shaped inhomogeneous dielectric objects is presented. The technique is based on a higher-order method of moments (MoM) solution of the volume integral equation. This higher-order MoM solution comprises recently...... that the condition number of the resulting MoM matrix is reduced by several orders of magnitude in comparison to existing higher-order hierarchical basis functions and, consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement...

  1. A simplified parsimonious higher order multivariate Markov chain model

    Science.gov (United States)

    Wang, Chao; Yang, Chuan-sheng

    2017-09-01

    In this paper, a simplified parsimonious higher-order multivariate Markov chain model (SPHOMMCM) is presented. Moreover, parameter estimation method of TPHOMMCM is give. Numerical experiments shows the effectiveness of TPHOMMCM.

  2. Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions

    Czech Academy of Sciences Publication Activity Database

    Daněček, Petr; Kapitán, Josef; Baumruk, V.; Bednárová, Lucie; Kopecký, V.; Bouř, Petr

    2007-01-01

    Roč. 126, č. 22 (2007), s. 224513-1 ISSN 0021-9606 R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702 Institutional research plan: CEZ:AV0Z40550506 Keywords : IR * Raman * ROA spectra * Anharmonic effects Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.044, year: 2007

  3. Higher Order Differential Attack on 6-Round MISTY1

    Science.gov (United States)

    Tsunoo, Yukiyasu; Saito, Teruo; Nakashima, Hiroki; Shigeri, Maki

    MISTY1 is a 64-bit block cipher that has provable security against differential and linear cryptanalysis. MISTY1 is one of the algorithms selected in the European NESSIE project, and it has been recommended for Japanese e-Government ciphers by the CRYPTREC project. This paper reports a previously unknown higher order differential characteristic of 4-round MISTY1 with the FL functions. It also shows that a higher order differential attack that utilizes this newly discovered characteristic is successful against 6-round MISTY1 with the FL functions. This attack can recover a partial subkey with a data complexity of 253.7 and a computational complexity of 264.4, which is better than any previous cryptanalysis of MISTY1.

  4. Higher-order automatic differentiation of mathematical functions

    Science.gov (United States)

    Charpentier, Isabelle; Dal Cappello, Claude

    2015-04-01

    Functions of mathematical physics such as the Bessel functions, the Chebyshev polynomials, the Gauss hypergeometric function and so forth, have practical applications in many scientific domains. On the one hand, differentiation formulas provided in reference books apply to real or complex variables. These do not account for the chain rule. On the other hand, based on the chain rule, the automatic differentiation has become a natural tool in numerical modeling. Nevertheless automatic differentiation tools do not deal with the numerous mathematical functions. This paper describes formulas and provides codes for the higher-order automatic differentiation of mathematical functions. The first method is based on Faà di Bruno's formula that generalizes the chain rule. The second one makes use of the second order differential equation they satisfy. Both methods are exemplified with the aforementioned functions.

  5. Computer-Mediated Assessment of Higher-Order Thinking Development

    Science.gov (United States)

    Tilchin, Oleg; Raiyn, Jamal

    2015-01-01

    Solving complicated problems in a contemporary knowledge-based society requires higher-order thinking (HOT). The most productive way to encourage development of HOT in students is through use of the Problem-based Learning (PBL) model. This model organizes learning by solving corresponding problems relative to study courses. Students are directed…

  6. Neurodevelopmental outcomes of triplets or higher-order extremely low birth weight infants.

    Science.gov (United States)

    Wadhawan, Rajan; Oh, William; Vohr, Betty R; Wrage, Lisa; Das, Abhik; Bell, Edward F; Laptook, Abbot R; Shankaran, Seetha; Stoll, Barbara J; Walsh, Michele C; Higgins, Rosemary D

    2011-03-01

    Extremely low birth weight twins have a higher rate of death or neurodevelopmental impairment than singletons. Higher-order extremely low birth weight multiple births may have an even higher rate of death or neurodevelopmental impairment. Extremely low birth weight (birth weight 401-1000 g) multiple births born in participating centers of the Neonatal Research Network between 1996 and 2005 were assessed for death or neurodevelopmental impairment at 18 to 22 months' corrected age. Neurodevelopmental impairment was defined by the presence of 1 or more of the following: moderate to severe cerebral palsy; mental developmental index score or psychomotor developmental index score less than 70; severe bilateral deafness; or blindness. Infants who died within 12 hours of birth were excluded. Maternal and infant demographic and clinical variables were compared among singleton, twin, and triplet or higher-order infants. Logistic regression analysis was performed to establish the association between singletons, twins, and triplet or higher-order multiples and death or neurodevelopmental impairment, controlling for confounding variables that may affect death or neurodevelopmental impairment. Our cohort consisted of 8296 singleton, 2164 twin, and 521 triplet or higher-order infants. The risk of death or neurodevelopmental impairment was increased in triplets or higher-order multiples when compared with singletons (adjusted odds ratio: 1.7 [95% confidence interval: 1.29-2.24]), and there was a trend toward an increased risk when compared with twins (adjusted odds ratio: 1.27 [95% confidence: 0.95-1.71]). Triplet or higher-order births are associated with an increased risk of death or neurodevelopmental impairment at 18 to 22 months' corrected age when compared with extremely low birth weight singleton infants, and there was a trend toward an increased risk when compared with twins.

  7. Analysis of Buried Dielectric Objects Using Higher-Order MoM for Volume Integral Equations

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav

    2004-01-01

    A higher-order method of moments (MoM) is applied to solve a volume integral equation for dielectric objects in layered media. In comparison to low-order methods, the higher-order MoM, which is based on higher-order hierarchical Legendre vector basis functions and curvilinear hexahedral elements,...

  8. A tridiagonal parsimonious higher order multivariate Markov chain model

    Science.gov (United States)

    Wang, Chao; Yang, Chuan-sheng

    2017-09-01

    In this paper, we present a tridiagonal parsimonious higher-order multivariate Markov chain model (TPHOMMCM). Moreover, estimation method of the parameters in TPHOMMCM is give. Numerical experiments illustrate the effectiveness of TPHOMMCM.

  9. Lagrangian procedures for higher order field equations

    International Nuclear Information System (INIS)

    Bollini, C.G.

    1987-01-01

    A Lagrangian procedure for a pedagogical way is presented for the treatment of higher order field equations. The energy-momentum tensor and the conserved density current are built. In particular the case in which the derivatives appear only in the invariant D'Alembertian operator is discussed. Some examples are discussed. The fields are quantized and the corresponding Hamilonian which is shown not to be positive defructed. Rules are given to write the causal propagators. (author) [pt

  10. Lagrangian procedures for higher order field equations

    International Nuclear Information System (INIS)

    Bollini, C.G.; Giambiagi, J.J.

    1986-01-01

    We present in a pedagogical way a Lagrangian procedure for the treatment of higher order field equations. We build the energy-momentum tensor and the conserved density current. In particular we discuss the case in which the derivatives appear only in the invariant D'Alembertian operator. We discuss some examples. We quantize the fields and construct the corresponding Hamiltonian which is shown not to be positive definite. We give the rules for the causal propagators. (Author) [pt

  11. Enhancing Higher Order Thinking Skills through Clinical Simulation

    Science.gov (United States)

    Varutharaju, Elengovan; Ratnavadivel, Nagendralingan

    2014-01-01

    Purpose: The study aimed to explore, describe and analyse the design and implementation of clinical simulation as a pedagogical tool in bridging the deficiency of higher order thinking skills among para-medical students, and to make recommendations on incorporating clinical simulation as a pedagogical tool to enhance thinking skills and align the…

  12. SHARP: A Spatially Higher-order, Relativistic Particle-in-cell Code

    Energy Technology Data Exchange (ETDEWEB)

    Shalaby, Mohamad; Broderick, Avery E. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Chang, Philip [Department of Physics, University of Wisconsin-Milwaukee, 1900 E. Kenwood Boulevard, Milwaukee, WI 53211 (United States); Pfrommer, Christoph [Leibniz-Institut für Astrophysik Potsdam (AIP), An der Sternwarte 16, D-14482 Potsdam (Germany); Lamberts, Astrid [Theoretical Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Puchwein, Ewald, E-mail: mshalaby@live.ca [Institute of Astronomy and Kavli Institute for Cosmology, University of Cambridge, Madingley Road, Cambridge, CB3 0HA (United Kingdom)

    2017-05-20

    Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially higher-order accurate relativistic PIC algorithm in one spatial dimension, which conserves charge and momentum exactly. We utilize the smoothness implied by the usage of higher-order interpolation functions to achieve a spatially higher-order accurate algorithm (up to the fifth order). We validate our algorithm against several test problems—thermal stability of stationary plasma, stability of linear plasma waves, and two-stream instability in the relativistic and non-relativistic regimes. Comparing our simulations to exact solutions of the dispersion relations, we demonstrate that SHARP can quantitatively reproduce important kinetic features of the linear regime. Our simulations have a superior ability to control energy non-conservation and avoid numerical heating in comparison to common second-order schemes. We provide a natural definition for convergence of a general PIC algorithm: the complement of physical modes captured by the simulation, i.e., those that lie above the Poisson noise, must grow commensurately with the resolution. This implies that it is necessary to simultaneously increase the number of particles per cell and decrease the cell size. We demonstrate that traditional ways for testing for convergence fail, leading to plateauing of the energy error. This new PIC code enables us to faithfully study the long-term evolution of plasma problems that require absolute control of the energy and momentum conservation.

  13. Higher order aberrations in amblyopic children and their role in refractory amblyopia

    Directory of Open Access Journals (Sweden)

    Arnaldo Dias-Santos

    2014-12-01

    Full Text Available Objective: Some studies have hypothesized that an unfavourable higher order aberrometric profile could act as an amblyogenic mechanism and may be responsible for some amblyopic cases that are refractory to conventional treatment or cases of “idiopathic” amblyopia. This study compared the aberrometric profile in amblyopic children to that of children with normal visual development and compared the aberrometric profile in corrected amblyopic eyes and refractory amblyopic eyes with that of healthy eyes. Methods: Cross-sectional study with three groups of children – the CA group (22 eyes of 11 children with unilateral corrected amblyopia, the RA group (24 eyes of 13 children with unilateral refractory amblyopia and the C group (28 eyes of 14 children with normal visual development. Higher order aberrations were evaluated using an OPD-Scan III (NIDEK. Comparisons of the aberrometric profile were made between these groups as well as between the amblyopic and healthy eyes within the CA and RA groups. Results: Higher order aberrations with greater impact in visual quality were not significantly higher in the CA and RA groups when compared with the C group. Moreover, there were no statistically significant differences in the higher order aberrometric profile between the amblyopic and healthy eyes within the CA and RA groups. Conclusions: Contrary to lower order aberrations (e.g., myopia, hyperopia, primary astigmatism, higher order aberrations do not seem to be involved in the etiopathogenesis of amblyopia. Therefore, these are likely not the cause of most cases of refractory amblyopia.

  14. Near integrability of kink lattice with higher order interactions

    Science.gov (United States)

    Jiang, Yun-Guo; Liu, Jia-Zhen; He, Song

    2017-11-01

    We make use of Manton’s analytical method to investigate the force between kinks and anti-kinks at large distances in 1+1 dimensional field theory. The related potential has infinite order corrections of exponential pattern, and the coefficients for each order are determined. These coefficients can also be obtained by solving the equation of the fluctuations around the vacuum. At the lowest order, the kink lattice represents the Toda lattice. With higher order correction terms, the kink lattice can represent one kind of generic Toda lattice. With only two sites, the kink lattice is classically integrable. If the number of sites of the lattice is larger than two, the kink lattice is not integrable but is a near integrable system. We make use of Flaschka’s variables to study the Lax pair of the kink lattice. These Flaschka’s variables have interesting algebraic relations and non-integrability can be manifested. We also discuss the higher Hamiltonians for the deformed open Toda lattice, which has a similar result to the ordinary deformed Toda. Supported by Shandong Provincial Natural Science Foundation (ZR2014AQ007), National Natural Science Foundation of China (11403015, U1531105), S. He is supported by Max-Planck fellowship in Germany and National Natural Science Foundation of China (11305235)

  15. Developing Higher-Order Thinking Skills through WebQuests

    Science.gov (United States)

    Polly, Drew; Ausband, Leigh

    2009-01-01

    In this study, 32 teachers participated in a year-long professional development project related to technology integration in which they designed and implemented a WebQuest. This paper describes the extent to which higher-order thinking skills (HOTS) and levels of technology implementation (LoTI) occur in the WebQuests that participants designed.…

  16. Higher-order geodesic deviations applied to the Kerr metric

    CERN Document Server

    Colistete, R J; Kerner, R

    2002-01-01

    Starting with an exact and simple geodesic, we generate approximate geodesics by summing up higher-order geodesic deviations within a general relativistic setting, without using Newtonian and post-Newtonian approximations. We apply this method to the problem of closed orbital motion of test particles in the Kerr metric spacetime. With a simple circular orbit in the equatorial plane taken as the initial geodesic, we obtain finite eccentricity orbits in the form of Taylor series with the eccentricity playing the role of a small parameter. The explicit expressions of these higher-order geodesic deviations are derived using successive systems of linear equations with constant coefficients, whose solutions are of harmonic oscillator type. This scheme gives best results when applied to orbits with low eccentricities, but with arbitrary possible values of (GM/Rc sup 2).

  17. Exploiting elastic anharmonicity in aluminum nitride matrix for phase-synchronous frequency reference generation

    Science.gov (United States)

    Ghatge, Mayur; Tabrizian, Roozbeh

    2018-03-01

    A matrix of aluminum-nitride (AlN) waveguides is acoustically engineered to realize electrically isolated phase-synchronous frequency references through nonlinear wave-mixing. AlN rectangular waveguides are cross-coupled through a periodically perforated plate that is engineered to have a wide acoustic bandgap around a desirable frequency ( f1≈509 MHz). While the coupling plate isolates the matrix from resonant vibrations of individual waveguide constituents at f1, it is transparent to the third-order harmonic waves (3f1) that are generated through nonlinear wave-mixing. Therefore, large-signal excitation of the f1 mode in a constituent waveguide generates acoustic waves at 3f1 with an efficiency defined by elastic anharmonicity of the AlN film. The phase-synchronous propagation of the third harmonic through the matrix is amplified by a high quality-factor resonance mode at f2≈1529 MHz, which is sufficiently close to 3f1 (f2 ≅ 3f1). Such an architecture enables realization of frequency-multiplied and phase-synchronous, yet electrically and spectrally isolated, references for multi-band/carrier and spread-spectrum wireless communication systems.

  18. Analysis of higher order harmonics with holographic reflection gratings

    Science.gov (United States)

    Mas-Abellan, P.; Madrigal, R.; Fimia, A.

    2017-05-01

    Silver halide emulsions have been considered one of the most energetic sensitive materials for holographic applications. Nonlinear recording effects on holographic reflection gratings recorded on silver halide emulsions have been studied by different authors obtaining excellent experimental results. In this communication specifically we focused our investigation on the effects of refractive index modulation, trying to get high levels of overmodulation that will produce high order harmonics. We studied the influence of the overmodulation and its effects on the transmission spectra for a wide exposure range by use of 9 μm thickness films of ultrafine grain emulsion BB640, exposed to single collimated beams using a red He-Ne laser (wavelength 632.8 nm) with Denisyuk configuration obtaining a spatial frequency of 4990 l/mm recorded on the emulsion. The experimental results show that high overmodulation levels of refractive index produce second order harmonics with high diffraction efficiency (higher than 75%) and a narrow grating bandwidth (12.5 nm). Results also show that overmodulation produce diffraction spectra deformation of the second order harmonic, transforming the spectrum from sinusoidal to approximation of square shape due to very high overmodulation. Increasing the levels of overmodulation of refractive index, we have obtained higher order harmonics, obtaining third order harmonic with diffraction efficiency (up to 23%) and narrowing grating bandwidth (5 nm). This study is the first step to develop a new easy technique to obtain narrow spectral filters based on the use of high index modulation reflection gratings.

  19. Higher-order thinking in foreign language learning

    OpenAIRE

    Bastos, Ascensão; Ramos, Altina

    2017-01-01

    A project is being conducted in English as a foreign language (EFL), involving eleventh graders in formal and non-formal learning contexts, in a Portuguese high school. The goal of this study is to examine the impact of cognitive tools and higher-order thinking processes on the learning of EFL and achievement of larger processes oriented to action, involving problem solving, decision-making and creation of new products. YouTube videos emerge as cognitive tools in the process. Final results sh...

  20. Higher-order conditioning is impaired by hippocampal lesions.

    Science.gov (United States)

    Gilboa, Asaf; Sekeres, Melanie; Moscovitch, Morris; Winocur, Gordon

    2014-09-22

    Behavior in the real world is rarely motivated by primary conditioned stimuli that have been directly associated with potent unconditioned reinforcers. Instead, motivation and choice behavior are driven by complex chains of higher-order associations that are only indirectly linked to intrinsic reward and often exert their influence outside awareness. Second-order conditioning (SOC) [1] is a basic associative-learning mechanism whereby stimuli acquire motivational salience by proxy, in the absence of primary incentives [2, 3]. Memory-systems theories consider first-order conditioning (FOC) and SOC to be prime examples of hippocampal-independent nondeclarative memory [4, 5]. Accordingly, neurobiological models of SOC focus almost exclusively on nondeclarative neural systems that support motivational salience and reward value. Transfer of value from a conditioned stimulus to a neutral stimulus is thought to require the basolateral amygdala [6, 7] and the ventral striatum [2, 3], but not the hippocampus. We developed a new paradigm to measure appetitive SOC of tones in rats. Hippocampal lesions severely impaired both acquisition and expression of SOC despite normal FOC. Unlike controls, rats with hippocampal lesions could not discriminate between positive and negative secondary conditioned tones, although they exhibited general familiarity with previously presented tones compared with new tones. Importantly, normal rats' behavior, in contrast to that of hippocampal groups, also revealed different confidence levels as indexed by effort, a central characteristic of hippocampal relational memory. The results indicate, contrary to current systems models, that representations of intrinsic relationships between reward value, stimulus identity, and motivation require hippocampal mediation when these relationships are of a higher order. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Method of moments solution of volume integral equations using higher-order hierarchical Legendre basis functions

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter

    2004-01-01

    An efficient higher-order method of moments (MoM) solution of volume integral equations is presented. The higher-order MoM solution is based on higher-order hierarchical Legendre basis functions and higher-order geometry modeling. An unstructured mesh composed of 8-node trilinear and/or curved 27...... of magnitude in comparison to existing higher-order hierarchical basis functions. Consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement with the analytical Mie series solution for a dielectric sphere as well as with results obtained...

  2. Higher- and Lower-Order Factor Analyses of the Temperament in Middle Childhood Questionnaire

    Science.gov (United States)

    Kotelnikova, Yuliya; Olino, Thomas M.; Klein, Daniel N.; Mackrell, Sarah V.M.; Hayden, Elizabeth P.

    2017-01-01

    The Temperament in Middle Childhood Questionnaire (TMCQ; Simonds & Rothbart, 2004) is a widely used parent-report measure of temperament. However, neither its lower- nor higher-order structures have been tested via a bottom-up, empirically based approach. We conducted higher- and lower-order exploratory factor analyses (EFAs) of the TMCQ in a large (N = 654) sample of 9-year-olds. Item-level EFAs identified 92 items as suitable (i.e., with loadings ≥.40) for constructing lower-order factors, only half of which resembled a TMCQ scale posited by the measure’s authors. Higher-order EFAs of the lower-order factors showed that a three-factor structure (Impulsivity/Negative Affectivity, Negative Affectivity, and Openness/Assertiveness) was the only admissible solution. Overall, many TMCQ items did not load well onto a lower-order factor. In addition, only three factors, which did not show a clear resemblance to Rothbart’s four-factor model of temperament in middle childhood, were needed to account for the higher-order structure of the TMCQ. PMID:27002124

  3. Influence of higher order modes on angled-facet amplifiers

    DEFF Research Database (Denmark)

    Wang, Z.; Mikkelsen, B.; Stubkjær, Kristian

    1991-01-01

    The influence of the first-order mode on the residual reflectivity of angled-facet amplifiers is analyzed. For a 7 degrees angled-facet ridge waveguide amplifier with a single-layer antireflective (AR) coating, a gain ripple lower than 1-dB at 25-dB gain can be obtained independent...... of the polarization, even in the presence of a first-order mode with a 15-dB gain. The tolerances for the thickness and refractive index of the AR coating are reduced by a factor of three compared to operation in the fundamental mode only. The influence of the higher order mode can virtually be suppressed...

  4. Higher order capacity statistics of multi-hop transmission systems over Rayleigh fading channels

    KAUST Repository

    Yilmaz, Ferkan

    2012-03-01

    In this paper, we present an exact analytical expression to evaluate the higher order statistics of the channel capacity for amplify and forward (AF) multihop transmission systems operating over Rayleigh fading channels. Furthermore, we present simple and efficient closed-form expression to the higher order moments of the channel capacity of dual hop transmission system with Rayleigh fading channels. In order to analyze the behavior of the higher order capacity statistics and investigate the usefulness of the mathematical analysis, some selected numerical and simulation results are presented. Our results are found to be in perfect agreement. © 2012 IEEE.

  5. Generating superpositions of higher order bessel beams [Conference paper

    CSIR Research Space (South Africa)

    Vasilyeu, R

    2009-10-01

    Full Text Available An experimental setup to generate a superposition of higher-order Bessel beams by means of a spatial light modulator and ring aperture is presented. The experimentally produced fields are in good agreement with those calculated theoretically....

  6. Protein scaffolds and higher-order complexes in synthetic biology

    NARCIS (Netherlands)

    den Hamer, A.; Rosier, B.J.H.M.; Brunsveld, L.; de Greef, T.F.A.; Ryadnov, M.; Brunsveld, L.; Suga, H.

    2017-01-01

    Interactions between proteins control molecular functions such as signalling or metabolic activity. Assembly of proteins via scaffold proteins or in higher-order complexes is a key regulatory mechanism. Understanding and functionally applying this concept requires the construction, study, and

  7. Higher-order terms in the nuclear-energy-density functional

    International Nuclear Information System (INIS)

    Carlsson, B. G.; Borucki, M.; Dobaczewski, J.

    2009-01-01

    One of the current projects at the Department of Physics in the University of Jyvaeskylae is to explore more general forms of the Skyrme energy-density functional (EDF). The aim is to find new phenomenological terms which are sensitive to experimental data. In this context we have extended the Skyrme functional by including terms which contain higher orders of derivatives allowing for a better description of finite range effects. This was done by employing an expansion in derivatives in a spherical-tensor formalism [1] motivated by ideas of the density-matrix expansion. The resulting functionals have different number of free parameters depending on the order in derivatives and assumed symmetries, see Fig. 1. The usual Skyrme EDF is obtained as a second order expansion while we keep terms up to sixth order.(author)

  8. Higher-order techniques for some problems of nonlinear control

    Directory of Open Access Journals (Sweden)

    Sarychev Andrey V.

    2002-01-01

    Full Text Available A natural first step when dealing with a nonlinear problem is an application of some version of linearization principle. This includes the well known linearization principles for controllability, observability and stability and also first-order optimality conditions such as Lagrange multipliers rule or Pontryagin's maximum principle. In many interesting and important problems of nonlinear control the linearization principle fails to provide a solution. In the present paper we provide some examples of how higher-order methods of differential geometric control theory can be used for the study nonlinear control systems in such cases. The presentation includes: nonlinear systems with impulsive and distribution-like inputs; second-order optimality conditions for bang–bang extremals of optimal control problems; methods of high-order averaging for studying stability and stabilization of time-variant control systems.

  9. First-order and higher order sequence learning in specific language impairment.

    Science.gov (United States)

    Clark, Gillian M; Lum, Jarrad A G

    2017-02-01

    A core claim of the procedural deficit hypothesis of specific language impairment (SLI) is that the disorder is associated with poor implicit sequence learning. This study investigated whether implicit sequence learning problems in SLI are present for first-order conditional (FOC) and higher order conditional (HOC) sequences. Twenty-five children with SLI and 27 age-matched, nonlanguage-impaired children completed 2 serial reaction time tasks. On 1 version, the sequence to be implicitly learnt comprised a FOC sequence and on the other a HOC sequence. Results showed that the SLI group learned the HOC sequence (η p ² = .285, p = .005) but not the FOC sequence (η p ² = .099, p = .118). The control group learned both sequences (FOC η p ² = .497, HOC η p 2= .465, ps < .001). The SLI group's difficulty learning the FOC sequence is consistent with the procedural deficit hypothesis. However, the study provides new evidence that multiple mechanisms may underpin the learning of FOC and HOC sequences. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  10. Higher-order resonant electronic recombination as a manifestation of configuration interaction

    International Nuclear Information System (INIS)

    Beilmann, C; Amaro, P; Tashenov, S; Bekker, H; Harman, Z; Crespo López-Urrutia, J R

    2013-01-01

    Theoretical and experimental investigations of higher-order electron–ion recombination resonances including inter-shell excitations are presented for L-shell ions of Kr with the aim of examining details of atomic structure calculations. The particular importance of electron–electron interaction and configuration mixing effects for these recombination processes enables their use for detailed tests of electron correlation effects. A test of the required level of considered mixing configurations is presented and further experiments involving higher-order recombination channels are motivated. (paper)

  11. Higher order mode of a microstripline fed cylindrical dielectric resonator antenna

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A. V. Praveen, E-mail: praveen.kumar@pilani.bits-pilani.ac.in [Department of Electrical and Electronics Engineering, BITS Pilani, Pilani, Rajasthan-333 031 (India)

    2016-03-09

    A microstrip transmission line can be used to excite the broadside radiating mode of a cylindrical dielectric resonator antenna (CDRA). The same is found to excite considerably well a higher order mode (HOM) as well. However unlike the broadside mode, the higher order mode gives distorted radiation pattern which makes this mode less useful for practical applications. The cause of distortion in the HOM radiation and the dependence of HOM coupling on the microstrip feed line are explored using HFSS simulations.

  12. Oscillation of solutions of some higher order linear differential equations

    Directory of Open Access Journals (Sweden)

    Hong-Yan Xu

    2009-11-01

    Full Text Available In this paper, we deal with the order of growth and the hyper order of solutions of higher order linear differential equations $$f^{(k}+B_{k-1}f^{(k-1}+\\cdots+B_1f'+B_0f=F$$ where $B_j(z (j=0,1,\\ldots,k-1$ and $F$ are entire functions or polynomials. Some results are obtained which improve and extend previous results given by Z.-X. Chen, J. Wang, T.-B. Cao and C.-H. Li.

  13. Improved Multilevel Fast Multipole Method for Higher-Order discretizations

    DEFF Research Database (Denmark)

    Borries, Oscar Peter; Meincke, Peter; Jorgensen, Erik

    2014-01-01

    The Multilevel Fast Multipole Method (MLFMM) allows for a reduced computational complexity when solving electromagnetic scattering problems. Combining this with the reduced number of unknowns provided by Higher-Order discretizations has proven to be a difficult task, with the general conclusion b...

  14. Higher-order momentum distributions and locally affine LDDMM registration

    DEFF Research Database (Denmark)

    Sommer, Stefan Horst; Nielsen, Mads; Darkner, Sune

    2013-01-01

    description of affine transformations and subsequent compact description of non-translational movement in a globally nonrigid deformation. The resulting representation contains directly interpretable information from both mathematical and modeling perspectives. We develop the mathematical construction......To achieve sparse parametrizations that allow intuitive analysis, we aim to represent deformation with a basis containing interpretable elements, and we wish to use elements that have the description capacity to represent the deformation compactly. To accomplish this, we introduce in this paper...... higher-order momentum distributions in the large deformation diffeomorphic metric mapping (LDDMM) registration framework. While the zeroth-order moments previously used in LDDMM only describe local displacement, the first-order momenta that are proposed here represent a basis that allows local...

  15. Gamow-Jordan vectors and non-reducible density operators from higher-order S-matrix poles

    International Nuclear Information System (INIS)

    Bohm, A.; Loewe, M.; Maxson, S.; Patuleanu, P.; Puentmann, C.; Gadella, M.

    1997-01-01

    In analogy to Gamow vectors that are obtained from first-order resonance poles of the S-matrix, one can also define higher-order Gamow vectors which are derived from higher-order poles of the S-matrix. An S-matrix pole of r-th order at z R =E R -iΓ/2 leads to r generalized eigenvectors of order k=0,1,hor-ellipsis,r-1, which are also Jordan vectors of degree (k+1) with generalized eigenvalue (E R -iΓ/2). The Gamow-Jordan vectors are elements of a generalized complex eigenvector expansion, whose form suggests the definition of a state operator (density matrix) for the microphysical decaying state of this higher-order pole. This microphysical state is a mixture of non-reducible components. In spite of the fact that the k-th order Gamow-Jordan vectors has the polynomial time-dependence which one always associates with higher-order poles, the microphysical state obeys a purely exponential decay law. copyright 1997 American Institute of Physics

  16. The Role of Formative Feedback in Promoting Higher Order ...

    African Journals Online (AJOL)

    DrNneka

    An International Multi-disciplinary Journal, Ethiopia. AFRREV ... make contribution to this research gap by proposing a theoretical feedback model that can promote higher order thinking skills in the classroom. The proposed ..... process; students provided with tasks that are novel, complex, creative, and non- algorithmic ...

  17. X ray absorption fine structure of systems in the anharmonic limit

    Science.gov (United States)

    Mustredeleon, J.; Conradson, S. D.; Batistic, I.; Bishop, A. R.; Raistrick, I.; Jackson, W. E.; Brown, G. E.

    A new approach to the analysis of x-ray absorption fine structure (XAFS) data is presented. It is based on the use of radial distribution functions directly calculated from a single-particle ion Hamiltonian containing model potentials. The starting point of this approach is the statistical average of the XAFS for an atomic pair. This average can be computed using a radial distribution function (RDF), which can be expressed in terms of the eigenvalues and wavefunctions associated with the model potential. The pair potential describing the ionic motion is then expressed in terms of parameters that are determined by fitting this statistical average to the experimental XAFS spectrum. This approach allows the use of XAFS as a tool for mapping near-neighbor interatomic potentials, and allows the treatment of systems which exhibit strongly anharmonic potentials which can be treated by perturbative methods. Using this method we have analyzed the high temperature behavior of the oxygen contributions to the Fe K-edge XAFS in the ferrosilicate minerals andradite (Ca3Fe2Si3O12) and magnesiowustite (Mg(0.9)Fe(0.1)O). Using a temperature dependent anharmonic correction derived from these model compounds, we have found evidence for a local structural change in the Fe-O coordination environment upon melting of the geologically important mineral fayalite (Fe2SiO4). We have also employed this method to the study of the axial oxygen contributions to the polarized Cu K-edge XAFS on oriented samples of YBa2Cu3O7 and related compounds. From this study we find evidence for an axial oxygen-centered lattice distortion accompanying the superconducting phase transition and a correlation between this distortion and Tc. The relation of the observed lattice distortion to mechanisms of superconductivity is discussed.

  18. X-ray absorption fine structure of systems in the anharmonic limit

    International Nuclear Information System (INIS)

    Mustre de Leon, J.; Conradson, S.D.; Batistic, I.; Bishop, A.R.; Raistrick, I.; Jackson, W.E.; Brown, G.E.

    1991-01-01

    A new approach to the analysis of x-ray absorption fine structure (XAFS) data is presented. It is based on the use of radial distribution functions directly calculated from a single-particle ion hamiltonian containing model potentials. The starting point of this approach is the statistical average of the XAFS for an atomic pair. This average can be computed using a radial distribution function (RDF), which can be expressed in terms of the eigenvalues and wavefunctions associated with the model potential. The pair potential describing the ionic motion is then expressed in terms of parameters that are determined by fitting this statistical average to the experimental XAFS spectrum. This approach allow the use of XAFS as a tool for mapping near-neighbor interatomic potentials, and allows the treatment of systems which exhibit strongly anharmonic potentials which can be treated by perturbative methods. Using this method we have analyzed the high temperature behavior of the oxygen contributions to the Fe K-edge XAFS in the ferrosilicate minerals andradite (Ca 3 Fe 2 Si 3 O 12 ) and magnesiowustite (Mg 0.9 Fe 0.1 O). Using a temperature dependent anharmonic correction derived from these model compounds, we have found evidence for a local structural change in the Fe-O coordination environment upon melting of the geologically important mineral fayalite (Fe 2 SiO 4 ). We have also employed this method to the study of the axial oxygen contributions to the polarized Cu K-edge XAFS on oriented samples of YBa 2 Cu 3 O 7 and related compounds. From this study we find evidence for an axial oxygen-centered lattice distortion accompanying the superconducting phase transition and a correlation between this distortion and T c . The relation of the observed lattice distortion to mechanisms of superconductivity is discussed. 33 refs., 6 figs

  19. A hierarchical generalization of the acoustic reciprocity theorem involving higher-order derivatives and interaction quantities.

    Science.gov (United States)

    Lin, Ju; Li, Jie; Li, Xiaolei; Wang, Ning

    2016-10-01

    An acoustic reciprocity theorem is generalized, for a smoothly varying perturbed medium, to a hierarchy of reciprocity theorems including higher-order derivatives of acoustic fields. The standard reciprocity theorem is the first member of the hierarchy. It is shown that the conservation of higher-order interaction quantities is related closely to higher-order derivative distributions of perturbed media. Then integral reciprocity theorems are obtained by applying Gauss's divergence theorem, which give explicit integral representations connecting higher-order interactions and higher-order derivative distributions of perturbed media. Some possible applications to an inverse problem are also discussed.

  20. Higher-order phase transitions on financial markets

    Science.gov (United States)

    Kasprzak, A.; Kutner, R.; Perelló, J.; Masoliver, J.

    2010-08-01

    Statistical and thermodynamic properties of the anomalous multifractal structure of random interevent (or intertransaction) times were thoroughly studied by using the extended continuous-time random walk (CTRW) formalism of Montroll, Weiss, Scher, and Lax. Although this formalism is quite general (and can be applied to any interhuman communication with nontrivial priority), we consider it in the context of a financial market where heterogeneous agent activities can occur within a wide spectrum of time scales. As the main general consequence, we found (by additionally using the Saddle-Point Approximation) the scaling or power-dependent form of the partition function, Z(q'). It diverges for any negative scaling powers q' (which justifies the name anomalous) while for positive ones it shows the scaling with the general exponent τ(q'). This exponent is the nonanalytic (singular) or noninteger power of q', which is one of the pilar of higher-order phase transitions. In definition of the partition function we used the pausing-time distribution (PTD) as the central one, which takes the form of convolution (or superstatistics used, e.g. for describing turbulence as well as the financial market). Its integral kernel is given by the stretched exponential distribution (often used in disordered systems). This kernel extends both the exponential distribution assumed in the original version of the CTRW formalism (for description of the transient photocurrent measured in amorphous glassy material) as well as the Gaussian one sometimes used in this context (e.g. for diffusion of hydrogen in amorphous metals or for aging effects in glasses). Our most important finding is the third- and higher-order phase transitions, which can be roughly interpreted as transitions between the phase where high frequency trading is most visible and the phase defined by low frequency trading. The specific order of the phase transition directly depends upon the shape exponent α defining the stretched

  1. Exact Solutions to Nonlinear Schroedinger Equation and Higher-Order Nonlinear Schroedinger Equation

    International Nuclear Information System (INIS)

    Ren Ji; Ruan Hangyu

    2008-01-01

    We study solutions of the nonlinear Schroedinger equation (NLSE) and higher-order nonlinear Schroedinger equation (HONLSE) with variable coefficients. By considering all the higher-order effect of HONLSE as a new dependent variable, the NLSE and HONLSE can be changed into one equation. Using the generalized Lie group reduction method (GLGRM), the abundant solutions of NLSE and HONLSE are obtained

  2. On realization of nonlinear systems described by higher-order differential equations

    NARCIS (Netherlands)

    van der Schaft, Arjan

    1987-01-01

    We consider systems of smooth nonlinear differential and algebraic equations in which some of the variables are distinguished as “external variables.” The realization problem is to replace the higher-order implicit differential equations by first-order explicit differential equations and the

  3. Constrained variational calculus for higher order classical field theories

    Energy Technology Data Exchange (ETDEWEB)

    Campos, Cedric M; De Leon, Manuel; De Diego, David MartIn, E-mail: cedricmc@icmat.e, E-mail: mdeleon@icmat.e, E-mail: david.martin@icmat.e [Instituto de Ciencias Matematicas, CSIC-UAM-UC3M-UCM, Serrano 123, 28006 Madrid (Spain)

    2010-11-12

    We develop an intrinsic geometrical setting for higher order constrained field theories. As a main tool we use an appropriate generalization of the classical Skinner-Rusk formalism. Some examples of applications are studied, in particular to the geometrical description of optimal control theory for partial differential equations.

  4. Constrained variational calculus for higher order classical field theories

    International Nuclear Information System (INIS)

    Campos, Cedric M; De Leon, Manuel; De Diego, David MartIn

    2010-01-01

    We develop an intrinsic geometrical setting for higher order constrained field theories. As a main tool we use an appropriate generalization of the classical Skinner-Rusk formalism. Some examples of applications are studied, in particular to the geometrical description of optimal control theory for partial differential equations.

  5. Decidable Fragments of a Higher Order Calculus with Locations

    DEFF Research Database (Denmark)

    Bundgaard, Mikkel; Godskesen, Jens Christian; Huttel, Hans

    2009-01-01

    Homer is a higher order process calculus with locations. In this paper we study Homer in the setting of the semantic finite control property, which is a finite reachability criterion that implies decidability of barbed bisimilarity. We show that strong and weak barbed bisimilarity are undecidable...

  6. Quantum Noether identities for non-local transformations in higher-order derivatives theories

    International Nuclear Information System (INIS)

    Li, Z.P.; Long, Z.W.

    2003-01-01

    Based on the phase-space generating functional of the Green function for a system with a regular/singular higher-order Lagrangian, the quantum canonical Noether identities (NIs) under a local and non-local transformation in phase space have been deduced, respectively. For a singular higher-order Lagrangian, one must use an effective canonical action I eff P in quantum canonical NIs instead of the classical I P in classical canonical NIs. The quantum NIs under a local and non-local transformation in configuration space for a gauge-invariant system with a higher-order Lagrangian have also been derived. The above results hold true whether or not the Jacobian of the transformation is equal to unity or not. It has been pointed out that in certain cases the quantum NIs may be converted to conservation laws at the quantum level. This algorithm to derive the quantum conservation laws is significantly different from the quantum first Noether theorem. The applications of our formulation to the Yang-Mills fields and non-Abelian Chern-Simons (CS) theories with higher-order derivatives are given, and the conserved quantities at the quantum level for local and non-local transformations are found, respectively. (orig.)

  7. The role of formative feedback in promoting higher order thinking ...

    African Journals Online (AJOL)

    The role of formative feedback in promoting higher order thinking skills in ... activities, task characteristics, validating students' thinking, and providing feedback. ... Keywords: classroom environment, formative assessment, formative feedback, ...

  8. Algebraic Specifications, Higher-order Types and Set-theoretic Models

    DEFF Research Database (Denmark)

    Kirchner, Hélène; Mosses, Peter David

    2001-01-01

    , and power-sets. This paper presents a simple framework for algebraic specifications with higher-order types and set-theoretic models. It may be regarded as the basis for a Horn-clause approximation to the Z framework, and has the advantage of being amenable to prototyping and automated reasoning. Standard......In most algebraic  specification frameworks, the type system is restricted to sorts, subsorts, and first-order function types. This is in marked contrast to the so-called model-oriented frameworks, which provide higer-order types, interpreted set-theoretically as Cartesian products, function spaces...... set-theoretic models are considered, and conditions are given for the existence of initial reduct's of such models. Algebraic specifications for various set-theoretic concepts are considered....

  9. Squeezing of higher order Hermite-Gauss modes

    DEFF Research Database (Denmark)

    Lassen, Mikael Østergaard

    2008-01-01

    The present paper gives an overview of the experimental generation of squeezing in higher order Hermite-Gaussian modes with an optical parametric ampli¯er (OPA). This work was awarded with The European Optical Society (EOS) price 2007. The purpose of the prize is to encourage a European dimension...... in research in pure and applied optics. The EOS prize is awarded based on the selection criteria of high professionalism, academic and technical quality. Following the EOS Prize rules, the conditions for eligibility are that the work was performed in Europe and that it is published under the auspices...

  10. Quantum effects in amplitude death of coupled anharmonic self-oscillators

    Science.gov (United States)

    Amitai, Ehud; Koppenhöfer, Martin; Lörch, Niels; Bruder, Christoph

    2018-05-01

    Coupling two or more self-oscillating systems may stabilize their zero-amplitude rest state, therefore quenching their oscillation. This phenomenon is termed "amplitude death." Well known and studied in classical self-oscillators, amplitude death was only recently investigated in quantum self-oscillators [Ishibashi and Kanamoto, Phys. Rev. E 96, 052210 (2017), 10.1103/PhysRevE.96.052210]. Quantitative differences between the classical and quantum descriptions were found. Here, we demonstrate that for quantum self-oscillators with anharmonicity in their energy spectrum, multiple resonances in the mean phonon number can be observed. This is a result of the discrete energy spectrum of these oscillators, and is not present in the corresponding classical model. Experiments can be realized with current technology and would demonstrate these genuine quantum effects in the amplitude death phenomenon.

  11. Comparison Criteria for Nonlinear Functional Dynamic Equations of Higher Order

    Directory of Open Access Journals (Sweden)

    Taher S. Hassan

    2016-01-01

    Full Text Available We will consider the higher order functional dynamic equations with mixed nonlinearities of the form xnt+∑j=0Npjtϕγjxφjt=0, on an above-unbounded time scale T, where n≥2, xi(t≔ri(tϕαixi-1Δ(t,  i=1,…,n-1,   with  x0=x,  ϕβ(u≔uβsgn⁡u, and α[i,j]≔αi⋯αj. The function φi:T→T is a rd-continuous function such that limt→∞φi(t=∞ for j=0,1,…,N. The results extend and improve some known results in the literature on higher order nonlinear dynamic equations.

  12. Higher-Order Structure in Bacterial VapBC Toxin-Antitoxin Complexes

    DEFF Research Database (Denmark)

    Bendtsen, Kirstine L; Brodersen, Ditlev E

    2017-01-01

    Toxin-antitoxin systems are widespread in the bacterial kingdom, including in pathogenic species, where they allow rapid adaptation to changing environmental conditions through selective inhibition of key cellular processes, such as DNA replication or protein translation. Under normal growth...... that allow auto-regulation of transcription by direct binding to promoter DNA. In this chapter, we review our current understanding of the structural characteristics of type II toxin-antitoxin complexes in bacterial cells, with a special emphasis on the staggering variety of higher-order architecture...... conditions, type II toxins are inhibited through tight protein-protein interaction with a cognate antitoxin protein. This toxin-antitoxin complex associates into a higher-order macromolecular structure, typically heterotetrameric or heterooctameric, exposing two DNA binding domains on the antitoxin...

  13. Higher-order relativistic periastron advances and binary pulsars

    International Nuclear Information System (INIS)

    Damour, T.; Schafer, G.

    1988-01-01

    The contributions to the periastron advance of a system of two condensed bodies coming from relativistic dynamical effects of order higher than the usual first post-Newtonian (1PN) equations of motion are investigated. The structure of the solution of the orbital second post-Newtonian (2PN) equations of motion is given in a simple parametrized form. The contributions to the secular pariastron advance, and the period, of orbital 2PN effects are then explicitly worked out by using the Hamilton-Jacobi method. The spin-orbit contribution to the secular precession of the orbit in space is rederived in a streamlined way by making full use of Hamiltonian methods. These results are then applied to the theoretical interpretation of the observational data of pulsars in close eccentric binary systems. It is shown that the higher-order relativistic contributions are already of theoretical and astophysical significance for interpreting the high-precision measurement of the secular periastron advance of PSR 1913+16 achived by Taylor and coworkers. The case of extremely fast spinning (millisecond) binary pulsars is also discussed, and shown to offer an easier ground for getting new tests of general relativity, and/or, a direct measurement of the moment of inertia of a neutron star

  14. Large-order perturbation theory

    International Nuclear Information System (INIS)

    Wu, T.T.

    1982-01-01

    The original motivation for studying the asymptotic behavior of the coefficients of perturbation series came from quantum field theory. An overview is given of some of the attempts to understand quantum field theory beyond finite-order perturbation series. At least is the case of the Thirring model and probably in general, the full content of a relativistic quantum field theory cannot be recovered from its perturbation series. This difficulty, however, does not occur in quantum mechanics, and the anharmonic oscillator is used to illustrate the methods used in large-order perturbation theory. Two completely different methods are discussed, the first one using the WKB approximation, and a second one involving the statistical analysis of Feynman diagrams. The first one is well developed and gives detailed information about the desired asymptotic behavior, while the second one is still in its infancy and gives instead information about the distribution of vertices of the Feynman diagrams

  15. Defining Higher-Order Turbulent Moment Closures with an Artificial Neural Network and Random Forest

    Science.gov (United States)

    McGibbon, J.; Bretherton, C. S.

    2017-12-01

    Unresolved turbulent advection and clouds must be parameterized in atmospheric models. Modern higher-order closure schemes depend on analytic moment closure assumptions that diagnose higher-order moments in terms of lower-order ones. These are then tested against Large-Eddy Simulation (LES) higher-order moment relations. However, these relations may not be neatly analytic in nature. Rather than rely on an analytic higher-order moment closure, can we use machine learning on LES data itself to define a higher-order moment closure?We assess the ability of a deep artificial neural network (NN) and random forest (RF) to perform this task using a set of observationally-based LES runs from the MAGIC field campaign. By training on a subset of 12 simulations and testing on remaining simulations, we avoid over-fitting the training data.Performance of the NN and RF will be assessed and compared to the Analytic Double Gaussian 1 (ADG1) closure assumed by Cloudy Layers Unified By Binormals (CLUBB), a higher-order turbulence closure currently used in the Community Atmosphere Model (CAM). We will show that the RF outperforms the NN and the ADG1 closure for the MAGIC cases within this diagnostic framework. Progress and challenges in using a diagnostic machine learning closure within a prognostic cloud and turbulence parameterization will also be discussed.

  16. Higher-order blackhole solutions in N=2 supergravity and Calabi-Yau string backgrounds

    NARCIS (Netherlands)

    Behrndt, K.; Cardoso, G.L.; de Wit, B.Q.P.J.; Lüst, D.; Mohaupt, T.; Sabra, W.A.

    1998-01-01

    Based on special geometry, we consider corrections to N=2 extremal black-hole solutions and their entropies originating from higher-order derivative terms in N=2 supergravity. These corrections are described by a holomorphic function, and the higher-order black-hole solutions can be expressed in

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

    International Nuclear Information System (INIS)

    Aouissat, Z.; Martin, C.

    2004-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-02-01

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

  19. Non-Poisson Dichotomous Noise: Higher-Order Correlation Functions and Aging

    National Research Council Canada - National Science Library

    Allegrini, Paolo; Grigolini, Paolo; Palatella, Luigi; West, Bruce J

    2004-01-01

    .... The transition of psi(tau) from the exponential to the nonexponential condition yields the breakdown of the usual factorization condition of higher-order correlation functions, as well as the birth of aging effects...

  20. Visibility-Based Hypothesis Testing Using Higher-Order Optical Interference

    Science.gov (United States)

    Jachura, Michał; Jarzyna, Marcin; Lipka, Michał; Wasilewski, Wojciech; Banaszek, Konrad

    2018-03-01

    Many quantum information protocols rely on optical interference to compare data sets with efficiency or security unattainable by classical means. Standard implementations exploit first-order coherence between signals whose preparation requires a shared phase reference. Here, we analyze and experimentally demonstrate the binary discrimination of visibility hypotheses based on higher-order interference for optical signals with a random relative phase. This provides a robust protocol implementation primitive when a phase lock is unavailable or impractical. With the primitive cost quantified by the total detected optical energy, optimal operation is typically reached in the few-photon regime.

  1. Inseparability inequalities for higher order moments for bipartite systems

    International Nuclear Information System (INIS)

    Agarwal, G S; Biswas, Asoka

    2005-01-01

    There are several examples of bipartite entangled states of continuous variables for which the existing criteria for entanglement using the inequalities involving the second-order moments are insufficient. We derive new inequalities involving higher order correlation, for testing entanglement in non-Gaussian states. In this context, we study an example of a non-Gaussian state, which is a bipartite entangled state of the form Ψ(x a , x b ) ∝ (αx a + βx b ) e -(x a 2 +x b 2 )/2 . Our results open up an avenue to search for new inequalities to test entanglement in non-Gaussian states

  2. Higher order corrections to energy levels of muonic atoms

    International Nuclear Information System (INIS)

    Rinker, G.A. Jr.; Steffen, R.M.

    1975-08-01

    In order to facilitate the analysis of muonic x-ray spectra, the results of numerical computations of all higher order quantum electrodynamical corrections to the energy levels of muonic atoms are presented in tabular and graphical form. These corrections include the vacuum polarization corrections caused by emission and reabsorption of virtual electron pairs to all orders, including ''double-bubble'' and ''cracked-egg'' diagrams. An estimate of the Delbruecke scattering-type correction is presented. The Lamb-shift (second- and fourth-order vertex) corrections have been calculated including the correction for the anomalous magnetic moment of the muon. The relativistic nuclear motion (or recoil) correction as well as the correction caused by the screening of the atomic electrons is presented in graphs. For the sake of completeness a graph of the nuclear polarization as computed on the basis of Chen's approach has been included. All calculations were made with a two-parameter Fermi distribution of the nuclear charge density. 7 figures, 23 references

  3. Impedance Eduction in Large Ducts Containing Higher-Order Modes and Grazing Flow

    Science.gov (United States)

    Watson, Willie R.; Jones, Michael G.

    2017-01-01

    Impedance eduction test data are acquired in ducts with small and large cross-sectional areas at the NASA Langley Research Center. An improved data acquisition system in the large duct has resulted in increased control of the acoustic energy in source modes and more accurate resolution of higher-order duct modes compared to previous tests. Two impedance eduction methods that take advantage of the improved data acquisition to educe the liner impedance in grazing flow are presented. One method measures the axial propagation constant of a dominant mode in the liner test section (by implementing the Kumarsean and Tufts algorithm) and educes the impedance from an exact analytical expression. The second method solves numerically the convected Helmholtz equation and minimizes an objective function to obtain the liner impedance. The two methods are tested first on data synthesized from an exact mode solution and then on measured data. Results show that when the methods are applied to data acquired in the larger duct with a dominant higher-order mode, the same impedance spectra are educed as that obtained in the small duct where only the plane wave mode propagates. This result holds for each higher-order mode in the large duct provided that the higher-order mode is sufficiently attenuated by the liner.

  4. High pressure behavior of complex phosphate K2Ce[PO4]2: Grüneisen parameter and anharmonicity properties

    Science.gov (United States)

    Mishra, Karuna Kara; Bevara, Samatha; Ravindran, T. R.; Patwe, S. J.; Gupta, Mayanak K.; Mittal, Ranjan; Krishnan, R. Venkata; Achary, S. N.; Tyagi, A. K.

    2018-02-01

    Herein we reported structural stability, vibrational and thermal properties of K2Ce[PO4]2, a relatively underexplored complex phosphate of tetravalent Ce4+ from in situ high-pressure Raman spectroscopic investigations up to 28 GPa using a diamond anvil cell. The studies identified the soft phonons that lead to a reversible phase transformation above 8 GPa, and a phase coexistence of ambient (PI) and high pressure (PII) phases in a wider pressure region 6-11 GPa. From a visual representation of the computed eigen vector displacements, the Ag soft mode at 82 cm-1 is assigned as a lattice mode of K+ cation. Pressure-induced positional disorder is apparent from the substantial broadening of internal modes and the disappearance of low frequency lattice and external modes in phase PII above 18 GPa. Isothermal mode Grüneisen parameters γi of the various phonon modes are calculated and compared for several modes. Using these values, thermal properties such as average Grüneisen parameter, and thermal expansion coefficient are estimated as 0.47, and 2.5 × 10-6 K-1, respectively. The specific heat value was estimated from all optical modes obtained from DFT calculations as 314 J-mol-1 K-1. Our earlier reported temperature dependence of phonon frequencies is used to decouple the "true anharmonic" (explicit contribution at constant volume) and "quasi harmonic" (implicit contribution brought out by volume change) contributions from the total anharmonicity. In addition to the 81 cm-1 Ag lattice mode, several other lattice and external modes of PO43- ions are found to be strongly anharmonic.

  5. Higher order effects of pseudoparticles in QCD

    International Nuclear Information System (INIS)

    Hietarinta, J.; Palmer, W.F.

    1977-01-01

    Gauge invariant Green's functions of quark-antiquark bilinear densities in massless, two-color QCD are studied. Nonzero-energy fermion modes, pseudoparticle solutions with topological charge absolute value ν > 1, and n-point functions with n > 2. Some general properties of the O(Dirac constant) approximation are developed, enabling one to isolate and define the terms which contribute to a general n-point function. The higher effects it is found preserve the symmetry breakdown found earlier in the 2-point function (U(2) x U(2) → SU(2) x SU(2) x U(1)). It is shown that a previous 2-point function analysis is exact to order Dirac constant

  6. Higher order modes of coupled optical fibres

    International Nuclear Information System (INIS)

    Alexeyev, C N; Yavorsky, M A; Boklag, N A

    2010-01-01

    The structure of hybrid higher order modes of two coupled weakly guiding identical optical fibres is studied. On the basis of perturbation theory with degeneracy for the vector wave equation expressions for modes with azimuthal angular number l ≥ 1 are obtained that allow for the spin–orbit interaction. The spectra of polarization corrections to the scalar propagation constants are calculated in a wide range of distances between the fibres. The limiting cases of widely and closely spaced fibres are studied. The obtained results can be used for studying the tunnelling of optical vortices in directional couplers and in matters concerned with information security

  7. Teaching Higher Order Thinking in the Introductory MIS Course: A Model-Directed Approach

    Science.gov (United States)

    Wang, Shouhong; Wang, Hai

    2011-01-01

    One vision of education evolution is to change the modes of thinking of students. Critical thinking, design thinking, and system thinking are higher order thinking paradigms that are specifically pertinent to business education. A model-directed approach to teaching and learning higher order thinking is proposed. An example of application of the…

  8. Higher-order threshold resummation for semi-inclusive e+e- annihilation

    International Nuclear Information System (INIS)

    Moch, S.; Vogt, A.

    2009-08-01

    The complete soft-enhanced and virtual-gluon contributions are derived for the quark coefficient functions in semi-inclusive e + e - annihilation to the third order in massless perturbative QCD. These terms enable us to extend the soft-gluon resummation for the fragmentation functions by two orders to the next-to-next-to-next-to-leading logarithmic (N 3 LL) accuracy. The resummation exponent is found to be the same as for the structure functions in inclusive deep-inelastic scattering. This finding, together with known results on the higher-order quark form factor, facilitates the determination of all soft and virtual contributions of the fourth-order difference of the coefficient functions for these two processes. Unlike the previous (N 2 LL) order in the exponentiation, the numerical effect of the N 3 LL contributions turns out to be negligible at LEP energies. (orig.)

  9. Equivalence of two Fixed-Point Semantics for Definitional Higher-Order Logic Programs

    Directory of Open Access Journals (Sweden)

    Angelos Charalambidis

    2015-09-01

    Full Text Available Two distinct research approaches have been proposed for assigning a purely extensional semantics to higher-order logic programming. The former approach uses classical domain theoretic tools while the latter builds on a fixed-point construction defined on a syntactic instantiation of the source program. The relationships between these two approaches had not been investigated until now. In this paper we demonstrate that for a very broad class of programs, namely the class of definitional programs introduced by W. W. Wadge, the two approaches coincide (with respect to ground atoms that involve symbols of the program. On the other hand, we argue that if existential higher-order variables are allowed to appear in the bodies of program rules, the two approaches are in general different. The results of the paper contribute to a better understanding of the semantics of higher-order logic programming.

  10. Geometrical optics in general relativity: A study of the higher order corrections

    International Nuclear Information System (INIS)

    Anile, A.M.

    1976-01-01

    The higher order corrections to geometrical optics are studied in general relativity for an electromagnetic test wave. An explicit expression is found for the average energy--momentum tensor which takes into account the first-order corrections. Finally the first-order corrections to the well-known area-intensity law of geometrical optics are derived

  11. Contribution of higher order terms in the reductive perturbation theory, 2

    International Nuclear Information System (INIS)

    Ichikawa, Y.H.; Mitsuhashi, Teruo; Konno, Kimiaki.

    1977-01-01

    Contribution of higher order terms in the reductive perturbation theory has been investigated for nonlinear propagation of strongly dispersive ion plasma wave. The basic set of fluid equation is reduced to a coupled set of the nonlinear Schroedinger equation for the first order perturbed potential and a linear inhomogeneous equation for the second order perturbed potential. A steady state solution of the coupled set of equations has been solved analytically in the asymptotic limit of small wave number. (auth.)

  12. Oscillation of certain higher-order neutral partial functional differential equations.

    Science.gov (United States)

    Li, Wei Nian; Sheng, Weihong

    2016-01-01

    In this paper, we study the oscillation of certain higher-order neutral partial functional differential equations with the Robin boundary conditions. Some oscillation criteria are established. Two examples are given to illustrate the main results in the end of this paper.

  13. Numerical methods of higher order of accuracy for incompressible flows

    Czech Academy of Sciences Publication Activity Database

    Kozel, K.; Louda, Petr; Příhoda, Jaromír

    2010-01-01

    Roč. 80, č. 8 (2010), s. 1734-1745 ISSN 0378-4754 Institutional research plan: CEZ:AV0Z20760514 Keywords : higher order methods * upwind methods * backward-facing step Subject RIV: BK - Fluid Dynamics Impact factor: 0.812, year: 2010

  14. Evidence for higher-order effects in L-shell ionization by proton impact

    International Nuclear Information System (INIS)

    Sarkadi, L.; Mukoyama, T.

    1988-01-01

    It is widely believed that higher order processes of ion-atom collisions are negligible in cases of light projectiles like proton. Recent refined experiments tried to prove that the existence of such effects were comperable with the experimental errors, and they showed the unexpected relative importance of the higher order processes. Thus a new coupled channel calculation was performed for proton-gold atom collision in the energy range of 0.15-3.0 MeV, including dynamical subshell coupling effects. The results show that the deviations from the first order cross sections reach 40% at low collision energy. This result made necessary to correct the calculations of L-shell X-ray production cross sections. (D.G.) 6 refs

  15. Transverse vibrations of shear-deformable beams using a general higher order theory

    Science.gov (United States)

    Kosmatka, J. B.

    1993-01-01

    A general higher order theory is developed to study the static and vibrational behavior of beam structures having an arbitrary cross section that utilizes both out-of-plane shear-dependent warping and in-plane (anticlastic) deformations. The equations of motion are derived via Hamilton's principle, where the full 3D constitutive relations are used. A simplified version of the general higher-order theory is also presented for beams having an arbitrary cross section that includes out-of-plane shear deformation but assumes that stresses within the cross section and in-plane deformations are negligible. This simplified model, which is accurate for long to moderately short wavelengths, offers substantial improvements over existing higher order theories that are limited to beams with thin rectangular cross sections. The current approach will be very useful in the study of thin-wall closed-cell beams such as airfoil-type sections where the magnitude of shear-related cross-sectional warping is significant.

  16. Practical Programming with Higher-Order Encodings and Dependent Types

    DEFF Research Database (Denmark)

    Poswolsky, Adam; Schürmann, Carsten

    2008-01-01

    , tedious, and error-prone. In this paper, we describe the underlying calculus of Delphin. Delphin is a fully implemented functional-programming language supporting reasoning over higher-order encodings and dependent types, while maintaining the benefits of HOAS. More specifically, just as representations...... for instantiation from those that will remain uninstantiated, utilizing a variation of Miller and Tiu’s ∇-quantifier [1]....

  17. Symmetries, invariants and generating functions: higher-order statistics of biased tracers

    Science.gov (United States)

    Munshi, Dipak

    2018-01-01

    Gravitationally collapsed objects are known to be biased tracers of an underlying density contrast. Using symmetry arguments, generalised biasing schemes have recently been developed to relate the halo density contrast δh with the underlying density contrast δ, divergence of velocity θ and their higher-order derivatives. This is done by constructing invariants such as s, t, ψ,η. We show how the generating function formalism in Eulerian standard perturbation theory (SPT) can be used to show that many of the additional terms based on extended Galilean and Lifshitz symmetry actually do not make any contribution to the higher-order statistics of biased tracers. Other terms can also be drastically simplified allowing us to write the vertices associated with δh in terms of the vertices of δ and θ, the higher-order derivatives and the bias coefficients. We also compute the cumulant correlators (CCs) for two different tracer populations. These perturbative results are valid for tree-level contributions but at an arbitrary order. We also take into account the stochastic nature bias in our analysis. Extending previous results of a local polynomial model of bias, we express the one-point cumulants Script SN and their two-point counterparts, the CCs i.e. Script Cpq, of biased tracers in terms of that of their underlying density contrast counterparts. As a by-product of our calculation we also discuss the results using approximations based on Lagrangian perturbation theory (LPT).

  18. Modeling 3D PCMI using the Extended Finite Element Method with higher order elements

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Spencer, Benjamin W. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2017-03-31

    This report documents the recent development to enable XFEM to work with higher order elements. It also demonstrates the application of higher order (quadratic) elements to both 2D and 3D models of PCMI problems, where discrete fractures in the fuel are represented using XFEM. The modeling results demonstrate the ability of the higher order XFEM to accurately capture the effects of a crack on the response in the vicinity of the intersecting surfaces of cracked fuel and cladding, as well as represent smooth responses in the regions away from the crack.

  19. A higher-order tensor vessel tractography for segmentation of vascular structures.

    Science.gov (United States)

    Cetin, Suheyla; Unal, Gozde

    2015-10-01

    A new vascular structure segmentation method, which is based on a cylindrical flux-based higher order tensor (HOT), is presented. On a vessel structure, the HOT naturally models branching points, which create challenges for vessel segmentation algorithms. In a general linear HOT model embedded in 3D, one has to work with an even order tensor due to an enforced antipodal-symmetry on the unit sphere. However, in scenarios such as in a bifurcation, the antipodally-symmetric tensor embedded in 3D will not be useful. In order to overcome that limitation, we embed the tensor in 4D and obtain a structure that can model asymmetric junction scenarios. During construction of a higher order tensor (e.g. third or fourth order) in 4D, the orientation vectors lie on the unit 3-sphere, in contrast to the unit 2-sphere in 3D tensor modeling. This 4D tensor is exploited in a seed-based vessel segmentation algorithm, where the principal directions of the 4D HOT is obtained by decomposition, and used in a HOT tractography approach. We demonstrate quantitative validation of the proposed algorithm on both synthetic complex tubular structures as well as real cerebral vasculature in Magnetic Resonance Angiography (MRA) datasets and coronary arteries from Computed Tomography Angiography (CTA) volumes.

  20. Construction of special eye models for investigation of chromatic and higher-order aberrations of eyes.

    Science.gov (United States)

    Zhai, Yi; Wang, Yan; Wang, Zhaoqi; Liu, Yongji; Zhang, Lin; He, Yuanqing; Chang, Shengjiang

    2014-01-01

    An achromatic element eliminating only longitudinal chromatic aberration (LCA) while maintaining transverse chromatic aberration (TCA) is established for the eye model, which involves the angle formed by the visual and optical axis. To investigate the impacts of higher-order aberrations on vision, the actual data of higher-order aberrations of human eyes with three typical levels are introduced into the eye model along visual axis. Moreover, three kinds of individual eye models are established to investigate the impacts of higher-order aberrations, chromatic aberration (LCA+TCA), LCA and TCA on vision under the photopic condition, respectively. Results show that for most human eyes, the impact of chromatic aberration on vision is much stronger than that of higher-order aberrations, and the impact of LCA in chromatic aberration dominates. The impact of TCA is approximately equal to that of normal level higher-order aberrations and it can be ignored when LCA exists.

  1. Collocated electrodynamic FDTD schemes using overlapping Yee grids and higher-order Hodge duals

    Science.gov (United States)

    Deimert, C.; Potter, M. E.; Okoniewski, M.

    2016-12-01

    The collocated Lebedev grid has previously been proposed as an alternative to the Yee grid for electromagnetic finite-difference time-domain (FDTD) simulations. While it performs better in anisotropic media, it performs poorly in isotropic media because it is equivalent to four overlapping, uncoupled Yee grids. We propose to couple the four Yee grids and fix the Lebedev method using discrete exterior calculus (DEC) with higher-order Hodge duals. We find that higher-order Hodge duals do improve the performance of the Lebedev grid, but they also improve the Yee grid by a similar amount. The effectiveness of coupling overlapping Yee grids with a higher-order Hodge dual is thus questionable. However, the theoretical foundations developed to derive these methods may be of interest in other problems.

  2. ANOVA-HDMR structure of the higher order nodal diffusion solution

    International Nuclear Information System (INIS)

    Bokov, P. M.; Prinsloo, R. H.; Tomasevic, D. I.

    2013-01-01

    Nodal diffusion methods still represent a standard in global reactor calculations, but employ some ad-hoc approximations (such as the quadratic leakage approximation) which limit their accuracy in cases where reference quality solutions are sought. In this work we solve the nodal diffusion equations utilizing the so-called higher-order nodal methods to generate reference quality solutions and to decompose the obtained solutions via a technique known as High Dimensional Model Representation (HDMR). This representation and associated decomposition of the solution provides a new formulation of the transverse leakage term. The HDMR structure is investigated via the technique of Analysis of Variance (ANOVA), which indicates why the existing class of transversely-integrated nodal methods prove to be so successful. Furthermore, the analysis leads to a potential solution method for generating reference quality solutions at a much reduced calculational cost, by applying the ANOVA technique to the full higher order solution. (authors)

  3. Time-discrete higher order ALE formulations: a priori error analysis

    KAUST Repository

    Bonito, Andrea

    2013-03-16

    We derive optimal a priori error estimates for discontinuous Galerkin (dG) time discrete schemes of any order applied to an advection-diffusion model defined on moving domains and written in the Arbitrary Lagrangian Eulerian (ALE) framework. Our estimates hold without any restrictions on the time steps for dG with exact integration or Reynolds\\' quadrature. They involve a mild restriction on the time steps for the practical Runge-Kutta-Radau methods of any order. The key ingredients are the stability results shown earlier in Bonito et al. (Time-discrete higher order ALE formulations: stability, 2013) along with a novel ALE projection. Numerical experiments illustrate and complement our theoretical results. © 2013 Springer-Verlag Berlin Heidelberg.

  4. Higher-Order Statistical Correlations and Mutual Information Among Particles in a Quantum Well

    Science.gov (United States)

    Yépez, V. S.; Sagar, R. P.; Laguna, H. G.

    2017-12-01

    The influence of wave function symmetry on statistical correlation is studied for the case of three non-interacting spin-free quantum particles in a unidimensional box, in position and in momentum space. Higher-order statistical correlations occurring among the three particles in this quantum system is quantified via higher-order mutual information and compared to the correlation between pairs of variables in this model, and to the correlation in the two-particle system. The results for the higher-order mutual information show that there are states where the symmetric wave functions are more correlated than the antisymmetric ones with same quantum numbers. This holds in position as well as in momentum space. This behavior is opposite to that observed for the correlation between pairs of variables in this model, and the two-particle system, where the antisymmetric wave functions are in general more correlated. These results are also consistent with those observed in a system of three uncoupled oscillators. The use of higher-order mutual information as a correlation measure, is monitored and examined by considering a superposition of states or systems with two Slater determinants.

  5. Higher-Order Statistical Correlations and Mutual Information Among Particles in a Quantum Well

    International Nuclear Information System (INIS)

    Yépez, V. S.; Sagar, R. P.; Laguna, H. G.

    2017-01-01

    The influence of wave function symmetry on statistical correlation is studied for the case of three non-interacting spin-free quantum particles in a unidimensional box, in position and in momentum space. Higher-order statistical correlations occurring among the three particles in this quantum system is quantified via higher-order mutual information and compared to the correlation between pairs of variables in this model, and to the correlation in the two-particle system. The results for the higher-order mutual information show that there are states where the symmetric wave functions are more correlated than the antisymmetric ones with same quantum numbers. This holds in position as well as in momentum space. This behavior is opposite to that observed for the correlation between pairs of variables in this model, and the two-particle system, where the antisymmetric wave functions are in general more correlated. These results are also consistent with those observed in a system of three uncoupled oscillators. The use of higher-order mutual information as a correlation measure, is monitored and examined by considering a superposition of states or systems with two Slater determinants. (author)

  6. Higher-order Brunnian structures and possible physical realizations

    DEFF Research Database (Denmark)

    A. Baas, Nils; V. Fedorov, D.; S. Jensen, A.

    2014-01-01

    We consider few-body bound state systems and provide precise definitions of Borromean and Brunnian systems. The initial concepts are more than a hundred years old and originated in mathematical knot-theory as purely geometric considerations. About thirty years ago they were generalized and applied...... to the binding of systems in nature. It now appears that recent generalization to higher order Brunnian structures may potentially be realized as laboratory made or naturally occurring systems. With the binding energy as measure, we discuss possibilities of physical realization in nuclei, cold atoms...

  7. Integrable higher order deformations of Heisenberg supermagnetic model

    International Nuclear Information System (INIS)

    Guo Jiafeng; Yan Zhaowen; Wang Shikun; Wu Ke; Zhao Weizhong

    2009-01-01

    The Heisenberg supermagnet model is an integrable supersymmetric system and has a close relationship with the strong electron correlated Hubbard model. In this paper, we investigate the integrable higher order deformations of Heisenberg supermagnet models with two different constraints: (i) S 2 =3S-2I for S is an element of USPL(2/1)/S(U(2)xU(1)) and (ii) S 2 =S for S is an element of USPL(2/1)/S(L(1/1)xU(1)). In terms of the gauge transformation, their corresponding gauge equivalent counterparts are derived.

  8. Theory of a higher-order Sturm-Liouville equation

    CERN Document Server

    Kozlov, Vladimir

    1997-01-01

    This book develops a detailed theory of a generalized Sturm-Liouville Equation, which includes conditions of solvability, classes of uniqueness, positivity properties of solutions and Green's functions, asymptotic properties of solutions at infinity. Of independent interest, the higher-order Sturm-Liouville equation also proved to have important applications to differential equations with operator coefficients and elliptic boundary value problems for domains with non-smooth boundaries. The book addresses graduate students and researchers in ordinary and partial differential equations, and is accessible with a standard undergraduate course in real analysis.

  9. Programming real-time executives in higher order language

    Science.gov (United States)

    Foudriat, E. C.

    1982-01-01

    Methods by which real-time executive programs can be implemented in a higher order language are discussed, using HAL/S and Path Pascal languages as program examples. Techniques are presented by which noncyclic tasks can readily be incorporated into the executive system. Situations are shown where the executive system can fail to meet its task scheduling and yet be able to recover either by rephasing the clock or stacking the information for later processing. The concept of deadline processing is shown to enable more effective mixing of time and information synchronized systems.

  10. Higher order Bose-Einstein correlations in identical particle production

    International Nuclear Information System (INIS)

    Biyajima, M.

    1990-01-01

    A diagram technique to calculate the higher order Bose-Einstein correlations is formulated. This technique is applied to derive explicit expressions for the n-pion correlation functions for n = 2, 3, 4, and 5, and numerical predictions are given. In a comparison with the AFS and NA23 data on two-pion and three-pion Bose-Einstein correlations good agreement is obtained. 21 refs., 5 figs. (Authors)

  11. Solution of volume-surface integral equations using higher-order hierarchical Legendre basis functions

    DEFF Research Database (Denmark)

    Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav

    2007-01-01

    The problem of electromagnetic scattering by composite metallic and dielectric objects is solved using the coupled volume-surface integral equation (VSIE). The method of moments (MoM) based on higher-order hierarchical Legendre basis functions and higher-order curvilinear geometrical elements...... with the analytical Mie series solution. Scattering by more complex metal-dielectric objects are also considered to compare the presented technique with other numerical methods....

  12. Two-qubit gate operations in superconducting circuits with strong coupling and weak anharmonicity

    International Nuclear Information System (INIS)

    Lü Xinyou; Ashhab, S; Cui Wei; Wu Rebing; Nori, Franco

    2012-01-01

    We theoretically study the implementation of two-qubit gates in a system of two coupled superconducting qubits. In particular, we analyze two-qubit gate operations under the condition that the coupling strength is comparable with or even larger than the anharmonicity of the qubits. By numerically solving the time-dependent Schrödinger equation under the assumption of negligible decoherence, we obtain the dependence of the two-qubit gate fidelity on the system parameters in the case of both direct and indirect qubit-qubit coupling. Our numerical results can be used to identify the ‘safe’ parameter regime for experimentally implementing two-qubit gates with high fidelity in these systems. (paper)

  13. Higher-order Bessel like beams with z-dependent cone angles

    CSIR Research Space (South Africa)

    Ismail, Y

    2010-08-01

    Full Text Available .64.81.22. Terms of Use: http://spiedl.org/terms Fig.5: Optical design to generate z-dependent Bessel-like beams 4. CONSIDERING A MATHEMATICAL APPROACH TO EXPLAINING Z-DEPENDENT BLB?S The stationary phase method is implemented in order to confirm... on higher-order z-dependent BLB?s [6]. 5. EXPERIMENTALLY GENERATED Z-DEPENDENT BESSEL-LIKE BEAMS From the above in can be deduced that these beams are Bessel-like hence they are so named z-dependent Bessel-like beams. These beams are produced however...

  14. Fractional equivalent Lagrangian densities for a fractional higher-order equation

    International Nuclear Information System (INIS)

    Fujioka, J

    2014-01-01

    In this communication we show that the equivalent Lagrangian densities (ELDs) of a fractional higher-order nonlinear Schrödinger equation with stable soliton-like solutions can be related in a hitherto unknown way. This new relationship is described in terms of a new fractional operator that includes both left- and right-sided fractional derivatives. Using this operator it is possible to generate new ELDs that contain different fractional parts, in addition to the already known ELDs, which only differ by a sum of first-order partial derivatives of two arbitrary functions. (fast track communications)

  15. Higher-order radiative corrections for b b ¯→H-W+

    Science.gov (United States)

    Kidonakis, Nikolaos

    2018-02-01

    I present higher-order radiative corrections from collinear and soft-gluon emission for the associated production of a charged Higgs boson with a W boson. The calculation uses expressions from resummation at next-to-leading-logarithm accuracy. From the resummed cross section I derive analytical formulas at approximate next-to-next-to-leading order and next-to-next-to-next-to-leading order. Total cross sections are presented for the process b b ¯→H-W+ at various LHC energies. The transverse momentum and rapidity distributions of the charged Higgs boson are also calculated.

  16. Higher-order schemes for the Laplace transformation method for parabolic problems

    KAUST Repository

    Douglas, C.

    2011-01-01

    In this paper we solve linear parabolic problems using the three stage noble algorithms. First, the time discretization is approximated using the Laplace transformation method, which is both parallel in time (and can be in space, too) and extremely high order convergent. Second, higher-order compact schemes of order four and six are used for the the spatial discretization. Finally, the discretized linear algebraic systems are solved using multigrid to show the actual convergence rate for numerical examples, which are compared to other numerical solution methods. © 2011 Springer-Verlag.

  17. Foundational (co)datatypes and (co)recursion for higher-order logic

    NARCIS (Netherlands)

    Biendarra, Julian; Blanchette, Jasmin Christian; Bouzy, Aymeric; Desharnais, Martin; Fleury, Mathias; Hölzl, Johannes; Kunčar, Ondřej; Lochbihler, Andreas; Meier, Fabian; Panny, Lorenz; Popescu, Andrei; Sternagel, Christian; Thiemann, René; Traytel, Dmitriy; Dixon, C.; Finger, M.

    2017-01-01

    We describe a line of work that started in 2011 towards enriching Isabelle/HOL’s language with coinductive datatypes, which allow infinite values, and with a more expressive notion of inductive datatype than previously supported by any system based on higher-order logic. These (co)datatypes are

  18. Superpositions of higher-order bessel beams and nondiffracting speckle fields

    CSIR Research Space (South Africa)

    Dudley, Angela L

    2009-08-01

    Full Text Available speckle fields. The paper reports on illuminating a ring slit aperture with light which has an azimuthal phase dependence, such that the field produced is a superposition of two higher-order Bessel beams. In the case that the phase dependence of the light...

  19. Authentic Instruction for 21st Century Learning: Higher Order Thinking in an Inclusive School

    Science.gov (United States)

    Preus, Betty

    2012-01-01

    The author studied a public junior high school identified as successfully implementing authentic instruction. Such instruction emphasizes higher order thinking, deep knowledge, substantive conversation, and value beyond school. To determine in what ways higher order thinking was fostered both for students with and without disabilities, the author…

  20. Anharmonicity Rise the Thermal Conductivity in Amorphous Silicon

    Science.gov (United States)

    Lv, Wei; Henry, Asegun

    We recently proposed a new method called Direct Green-Kubo Modal Analysis (GKMA) method, which has been shown to calculate the thermal conductivity (TC) of several amorphous materials accurately. A-F method has been widely used for amorphous materials. However, researchers have found out that it failed on several different materials. The missing component of A-F method is the harmonic approximation and considering only the interactions of modes with similar frequencies, which neglect interactions of modes with large frequency difference. On the contrary, GKMA method, which is based on molecular dynamics, intrinsically includes all types of phonon interactions. In GKMA method, each mode's TC comes from both mode self-correlations (autocorrelations) and mode-mode correlations (crosscorrelations). We have demonstrated that the GKMA predicted TC of a-Si from Tersoff potential is in excellent agreement with one of experimental results. In this work, we will present the GKMA applications on a-Si using multiple potentials and gives us more insight of the effect of anharmonicity on the TC of amorphous silicon. This research was supported Intel grant AGMT DTD 1-15-13 and computational resources by NSF supported XSEDE resources under allocations DMR130105 and TG- PHY130049.

  1. Resilience and Higher Order Thinking

    Directory of Open Access Journals (Sweden)

    Ioan Fazey

    2010-09-01

    Full Text Available To appreciate, understand, and tackle chronic global social and environmental problems, greater appreciation of the importance of higher order thinking is required. Such thinking includes personal epistemological beliefs (PEBs, i.e., the beliefs people hold about the nature of knowledge and how something is known. These beliefs have profound implications for the way individuals relate to each other and the world, such as how people understand complex social-ecological systems. Resilience thinking is an approach to environmental stewardship that includes a number of interrelated concepts and has strong foundations in systemic ways of thinking. This paper (1 summarizes a review of educational psychology literature on PEBs, (2 explains why resilience thinking has potential to facilitate development of more sophisticated PEBs, (3 describes an example of a module designed to teach resilience thinking to undergraduate students in ways conducive to influencing PEBs, and (4 discusses a pilot study that evaluates the module's impact. Theoretical and preliminary evidence from the pilot evaluation suggests that resilience thinking which is underpinned by systems thinking has considerable potential to influence the development of more sophisticated PEBs. To be effective, however, careful consideration of how resilience thinking is taught is required. Finding ways to encourage students to take greater responsibility for their own learning and ensuring close alignment between assessment and desired learning outcomes are particularly important.

  2. Robust rooftop extraction from visible band images using higher order CRF

    KAUST Repository

    Li, Er

    2015-08-01

    In this paper, we propose a robust framework for building extraction in visible band images. We first get an initial classification of the pixels based on an unsupervised presegmentation. Then, we develop a novel conditional random field (CRF) formulation to achieve accurate rooftops extraction, which incorporates pixel-level information and segment-level information for the identification of rooftops. Comparing with the commonly used CRF model, a higher order potential defined on segment is added in our model, by exploiting region consistency and shape feature at segment level. Our experiments show that the proposed higher order CRF model outperforms the state-of-the-art methods both at pixel and object levels on rooftops with complex structures and sizes in challenging environments. © 1980-2012 IEEE.

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

    Science.gov (United States)

    Fries, T. P.; Schöllhammer, D.

    2017-11-01

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

  4. Security Analysis of 7-Round MISTY1 against Higher Order Differential Attacks

    Science.gov (United States)

    Tsunoo, Yukiyasu; Saito, Teruo; Shigeri, Maki; Kawabata, Takeshi

    MISTY1 is a 64-bit block cipher that has provable security against differential and linear cryptanalysis. MISTY1 is one of the algorithms selected in the European NESSIE project, and it has been recommended for Japanese e-Government ciphers by the CRYPTREC project. This paper shows that higher order differential attacks can be successful against 7-round versions of MISTY1 with FL functions. The attack on 7-round MISTY1 can recover a partial subkey with a data complexity of 254.1 and a computational complexity of 2120.8, which signifies the first successful attack on 7-round MISTY1 with no limitation such as a weak key. This paper also evaluates the complexity of this higher order differential attack on MISTY1 in which the key schedule is replaced by a pseudorandom function. It is shown that resistance to the higher order differential attack is not substantially improved even in 7-round MISTY1 in which the key schedule is replaced by a pseudorandom function.

  5. A higher order space-time Galerkin scheme for time domain integral equations

    KAUST Repository

    Pray, Andrew J.

    2014-12-01

    Stability of time domain integral equation (TDIE) solvers has remained an elusive goal formany years. Advancement of this research has largely progressed on four fronts: 1) Exact integration, 2) Lubich quadrature, 3) smooth temporal basis functions, and 4) space-time separation of convolutions with the retarded potential. The latter method\\'s efficacy in stabilizing solutions to the time domain electric field integral equation (TD-EFIE) was previously reported for first-order surface descriptions (flat elements) and zeroth-order functions as the temporal basis. In this work, we develop the methodology necessary to extend the scheme to higher order surface descriptions as well as to enable its use with higher order basis functions in both space and time. These basis functions are then used in a space-time Galerkin framework. A number of results are presented that demonstrate convergence in time. The viability of the space-time separation method in producing stable results is demonstrated experimentally for these examples.

  6. A higher order space-time Galerkin scheme for time domain integral equations

    KAUST Repository

    Pray, Andrew J.; Beghein, Yves; Nair, Naveen V.; Cools, Kristof; Bagci, Hakan; Shanker, Balasubramaniam

    2014-01-01

    Stability of time domain integral equation (TDIE) solvers has remained an elusive goal formany years. Advancement of this research has largely progressed on four fronts: 1) Exact integration, 2) Lubich quadrature, 3) smooth temporal basis functions, and 4) space-time separation of convolutions with the retarded potential. The latter method's efficacy in stabilizing solutions to the time domain electric field integral equation (TD-EFIE) was previously reported for first-order surface descriptions (flat elements) and zeroth-order functions as the temporal basis. In this work, we develop the methodology necessary to extend the scheme to higher order surface descriptions as well as to enable its use with higher order basis functions in both space and time. These basis functions are then used in a space-time Galerkin framework. A number of results are presented that demonstrate convergence in time. The viability of the space-time separation method in producing stable results is demonstrated experimentally for these examples.

  7. An Investigation of Higher-Order Thinking Skills in Smaller Learning Community Social Studies Classrooms

    Science.gov (United States)

    Fischer, Christopher; Bol, Linda; Pribesh, Shana

    2011-01-01

    This study investigated the extent to which higher-order thinking skills are promoted in social studies classes in high schools that are implementing smaller learning communities (SLCs). Data collection in this mixed-methods study included classroom observations and in-depth interviews. Findings indicated that higher-order thinking was rarely…

  8. Systematic Studies on Anharmonicity of Rattling Phonons in Type I Clathrates by Low Temperature Heat Capacity Measurements

    Science.gov (United States)

    Tanigaki, Katsumi; Wu, Jiazhen; Tanabe, Yoichi; Heguri, Satoshi; Shiimotani, Hidekazu; Tohoku University Collaboration

    2014-03-01

    Clathrates are featured by cage-like polyhedral hosts mainly composed of the IVth group elements of Si, Ge, or Sn and alkali metal or alkaline-earth metal elements can be accommodated inside as a guest atom. One of the most intriguing issues in clathrates is their outstanding high thermoelectric performances thanks to the low thermal conductivity. Being irrespective of good electric conductivity σ, the guest atom motions provide a low-energy lying less-dispersive phonons and can greatly suppress thermal conductivity κ. This makes clathrates close to the concept of ``phonon glass electron crystal: PGEC'' and useful in thermoelectric materials from the viewpoint of the figure of merit. In the present study, we show that the local phonon anharmonicity indicated by the tunneling-term of the endohedral atoms (αT) and the itinerant-electron term (γeT), both of which show T-linear dependences in specific heat Cp, can successfully be separated by employing single crystals with various carrier concentrations in a wide range of temperture experimennts. The factors affecting on the phonon anharmonicity as well as the strength of electron-phonon interactions will be discussed based on our recent experiments. The research was financially supported by Ministry of Education, Science, Sports and Culture, Grant in Aid for Science, and Technology of Japan.

  9. Toward an Understanding of Higher-Order Thinking among Minority Students.

    Science.gov (United States)

    Armour-Thomas, Eleanor; And Others

    1992-01-01

    Used principal-factors extraction with varimax rotation analysis to clarify nature and function of higher-order thinking among minority high school students (n=107) from economically disadvantaged backgrounds. Results allowed for specification of mental processes associated with the construct and the extent to which students reported awareness and…

  10. Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations

    Energy Technology Data Exchange (ETDEWEB)

    Meier, Patrick; Oschetzki, Dominik; Rauhut, Guntram, E-mail: rauhut@theochem.uni-stuttgart.de [Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany); Berger, Robert [Clemens-Schöpf Institut für Organische Chemie and Biochemie, Technische Universität Darmstadt, Petersenstrasse 22, 64287 Darmstadt (Germany)

    2014-05-14

    A transformation of potential energy surfaces (PES) being represented by multi-mode expansions is introduced, which allows for the calculation of anharmonic vibrational spectra of any isotopologue from a single PES. This simplifies the analysis of infrared spectra due to significant CPU-time savings. An investigation of remaining deviations due to truncations and the so-called multi-level approximation is provided. The importance of vibrational-rotational couplings for small molecules is discussed in detail. In addition, an analysis is proposed, which provides information about the quality of the transformation prior to its execution. Benchmark calculations are provided for a set of small molecules.

  11. Sleep inertia, sleep homeostatic and circadian influences on higher-order cognitive functions.

    Science.gov (United States)

    Burke, Tina M; Scheer, Frank A J L; Ronda, Joseph M; Czeisler, Charles A; Wright, Kenneth P

    2015-08-01

    Sleep inertia, sleep homeostatic and circadian processes modulate cognition, including reaction time, memory, mood and alertness. How these processes influence higher-order cognitive functions is not well known. Six participants completed a 73-day-long study that included two 14-day-long 28-h forced desynchrony protocols to examine separate and interacting influences of sleep inertia, sleep homeostasis and circadian phase on higher-order cognitive functions of inhibitory control and selective visual attention. Cognitive performance for most measures was impaired immediately after scheduled awakening and improved during the first ~2-4 h of wakefulness (decreasing sleep inertia); worsened thereafter until scheduled bedtime (increasing sleep homeostasis); and was worst at ~60° and best at ~240° (circadian modulation, with worst and best phases corresponding to ~09:00 and ~21:00 hours, respectively, in individuals with a habitual wake time of 07:00 hours). The relative influences of sleep inertia, sleep homeostasis and circadian phase depended on the specific higher-order cognitive function task examined. Inhibitory control appeared to be modulated most strongly by circadian phase, whereas selective visual attention for a spatial-configuration search task was modulated most strongly by sleep inertia. These findings demonstrate that some higher-order cognitive processes are differentially sensitive to different sleep-wake regulatory processes. Differential modulation of cognitive functions by different sleep-wake regulatory processes has important implications for understanding mechanisms contributing to performance impairments during adverse circadian phases, sleep deprivation and/or upon awakening from sleep. © 2015 European Sleep Research Society.

  12. On higher-order corrections in M theory

    International Nuclear Information System (INIS)

    Howe, P.S.; Tsimpis, D.

    2003-01-01

    A theoretical analysis of higher-order corrections to D=11 supergravity is given in a superspace framework. It is shown that any deformation of D=11 supergravity for which the lowest-dimensional component of the four-form G 4 vanishes is trivial. This implies that the equations of motion of D=11 supergravity are specified by an element of a certain spinorial cohomology group and generalises previous results obtained using spinorial or pure spinor cohomology to the fully non-linear theory. The first deformation of the theory is given by an element of a different spinorial cohomology group with coefficients which are local tensorial functions of the massless supergravity fields. The four-form Bianchi Identities are solved, to first order and at dimension -{1/2}, in the case that the lowest-dimensional component of G 4 is non-zero. Moreover, it is shown how one can calculate the first-order correction to the dimension-zero torsion and thus to the supergravity equations of motion given an explicit expression for this object in terms of the supergravity fields. The version of the theory with both a four-form and a seven-form is discussed in the presence of the five-brane anomaly-cancelling term. It is shown that the supersymmetric completion of this term exists and it is argued that it is the unique anomaly-cancelling invariant at this dimension which is at least quartic in the fields. This implies that the first deformation of the theory is completely determined by the anomaly term from which one can, in principle, read off the corrections to all of the superspace field strength tensors. (author)

  13. Higher-Order Wavefront Aberrations for Populations of Young Emmetropes and Myopes

    Directory of Open Access Journals (Sweden)

    Jinhua Bao

    2009-01-01

    Conclusions: Human eyes have systematical higher order aberrations in population, and factors that cause bilateral symmetry of wavefront aberrations between the right and left eyes made important contribution to the systematical aberrations.

  14. A stable higher order space time Galerkin marching-on-in-time scheme

    KAUST Repository

    Pray, Andrew J.

    2013-07-01

    We present a method for the stable solution of time-domain integral equations. The method uses a technique developed in [1] to accurately evaluate matrix elements. As opposed to existing stabilization schemes, the method presented uses higher order basis functions in time to improve the accuracy of the solver. The method is validated by showing convergence in temporal basis function order, time step size, and geometric discretization order. © 2013 IEEE.

  15. A Content Analysis of General Chemistry Laboratory Manuals for Evidence of Higher-Order Cognitive Tasks

    Science.gov (United States)

    Domin, Daniel S.

    1999-01-01

    The science laboratory instructional environment is ideal for fostering the development of problem-solving, manipulative, and higher-order thinking skills: the skills needed by today's learner to compete in an ever increasing technology-based society. This paper reports the results of a content analysis of ten general chemistry laboratory manuals. Three experiments from each manual were examined for evidence of higher-order cognitive activities. Analysis was based upon the six major cognitive categories of Bloom's Taxonomy of Educational Objectives: knowledge, comprehension, application, analysis, synthesis, and evaluation. The results of this study show that the overwhelming majority of general chemistry laboratory manuals provide tasks that require the use of only the lower-order cognitive skills: knowledge, comprehension, and application. Two of the laboratory manuals were disparate in having activities that utilized higher-order cognition. I describe the instructional strategies used within these manuals to foster higher-order cognitive development.

  16. Three weights higher order Hardy type inequalities

    Directory of Open Access Journals (Sweden)

    Aigerim A. Kalybay

    2006-01-01

    Full Text Available We investigate the following three weights higher order Hardy type inequality (0.1 ‖g‖q,u≤  C‖Dρkg‖p,v where Dρi denotes the following weighted differential operator: {dig(tdti,i=0,1,...,m−1,di−mdti−m(p(tdmg(tdtm,i=m,m+1,...,k, for a weight function ρ(⋅. A complete description of the weights u, v and ρ so that (0.1 holds was given in [4] for the case 1

  17. On the Entropy Based Associative Memory Model with Higher-Order Correlations

    Directory of Open Access Journals (Sweden)

    Masahiro Nakagawa

    2010-01-01

    Full Text Available In this paper, an entropy based associative memory model will be proposed and applied to memory retrievals with an orthogonal learning model so as to compare with the conventional model based on the quadratic Lyapunov functional to be minimized during the retrieval process. In the present approach, the updating dynamics will be constructed on the basis of the entropy minimization strategy which may be reduced asymptotically to the above-mentioned conventional dynamics as a special case ignoring the higher-order correlations. According to the introduction of the entropy functional, one may involve higer-order correlation effects between neurons in a self-contained manner without any heuristic coupling coefficients as in the conventional manner. In fact we shall show such higher order coupling tensors are to be uniquely determined in the framework of the entropy based approach. From numerical results, it will be found that the presently proposed novel approach realizes much larger memory capacity than that of the quadratic Lyapunov functional approach, e.g., associatron.

  18. A single dose of oxytocin nasal spray improves higher-order social cognition in schizophrenia.

    Science.gov (United States)

    Guastella, Adam J; Ward, Philip B; Hickie, Ian B; Shahrestani, Sara; Hodge, Marie Antoinette Redoblado; Scott, Elizabeth M; Langdon, Robyn

    2015-11-01

    Schizophrenia is associated with significant impairments in both higher and lower order social cognitive performance and these impairments contribute to poor social functioning. People with schizophrenia report poor social functioning to be one of their greatest unmet treatment needs. Recent studies have suggested the potential of oxytocin as such a treatment, but mixed results render it uncertain what aspects of social cognition are improved by oxytocin and, subsequently, how oxytocin might best be applied as a therapeutic. The aim of this study was to determine whether a single dose of oxytocin improved higher-order and lower-order social cognition performance for patients with schizophrenia across a well-established battery of social cognition tests. Twenty-one male patients received both a single dose of oxytocin nasal spray (24IU) and a placebo, two weeks apart in a randomized within-subjects placebo controlled design. Following each administration, participants completed the social cognition tasks, as well as a test of general neurocognition. Results revealed that oxytocin particularly enhanced performance on higher order social cognition tasks, with no effects on general neurocognition. Results for individual tasks showed most improvement on tests measuring appreciation of indirect hints and recognition of social faux pas. These results suggest that oxytocin, if combined to enhance social cognition learning, may be beneficial when targeted at higher order social cognition domains. This study also suggests that these higher order tasks, which assess social cognitive processing in a social communication context, may provide useful markers of response to oxytocin in schizophrenia. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Modeling Human Behaviour with Higher Order Logic: Insider Threats

    DEFF Research Database (Denmark)

    Boender, Jaap; Ivanova, Marieta Georgieva; Kammuller, Florian

    2014-01-01

    it to the sociological process of logical explanation. As a case study on modeling human behaviour, we present the modeling and analysis of insider threats as a Higher Order Logic theory in Isabelle/HOL. We show how each of the three step process of sociological explanation can be seen in our modeling of insider’s state......, its context within an organisation and the effects on security as outcomes of a theorem proving analysis....

  20. Higher order multi-term time-fractional partial differential equations involving Caputo-Fabrizio derivative

    OpenAIRE

    Erkinjon Karimov; Sardor Pirnafasov

    2017-01-01

    In this work we discuss higher order multi-term partial differential equation (PDE) with the Caputo-Fabrizio fractional derivative in time. Using method of separation of variables, we reduce fractional order partial differential equation to the integer order. We represent explicit solution of formulated problem in particular case by Fourier series.

  1. Asymptotic estimates and exponential stability for higher-order monotone difference equations

    Directory of Open Access Journals (Sweden)

    Pituk Mihály

    2005-01-01

    Full Text Available Asymptotic estimates are established for higher-order scalar difference equations and inequalities the right-hand sides of which generate a monotone system with respect to the discrete exponential ordering. It is shown that in some cases the exponential estimates can be replaced with a more precise limit relation. As corollaries, a generalization of discrete Halanay-type inequalities and explicit sufficient conditions for the global exponential stability of the zero solution are given.

  2. Asymptotic estimates and exponential stability for higher-order monotone difference equations

    Directory of Open Access Journals (Sweden)

    Mihály Pituk

    2005-03-01

    Full Text Available Asymptotic estimates are established for higher-order scalar difference equations and inequalities the right-hand sides of which generate a monotone system with respect to the discrete exponential ordering. It is shown that in some cases the exponential estimates can be replaced with a more precise limit relation. As corollaries, a generalization of discrete Halanay-type inequalities and explicit sufficient conditions for the global exponential stability of the zero solution are given.

  3. Higher-order human telomeric G-quadruplex DNA metalloenzymes enhance enantioselectivity in the Diels-Alder reaction.

    Science.gov (United States)

    Li, Yinghao; Jia, Guoqing; Wang, Changhao; Cheng, Mingpan; Li, Can

    2015-03-02

    Short human telomeric (HT) DNA sequences form single G-quadruplex (G4 ) units and exhibit structure-based stereocontrol for a series of reactions. However, for more biologically relevant higher-order HT G4 -DNAs (beyond a single G4 unit), the catalytic performances are unknown. Here, we found that higher-order HT G4 -DNA copper metalloenzymes (two or three G4 units) afford remarkably higher enantioselectivity (>90 % ee) and a five- to sixfold rate increase, compared to a single G4 unit, for the Diels-Alder reaction. Electron paramagnetic resonance (EPR) and enzymatic kinetic studies revealed that the distinct catalytic function between single and higher-order G4 -DNA copper metalloenzymes can be attributed to different Cu(II) coordination environments and substrate specificity. Our finding suggests that, like protein enzymes and ribozymes, higher-order structural organization is crucial for G4 -DNA-based catalysis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Cylindrical Penning traps with dynamic orthogonalized anharmonicity compensation for precision experiments

    International Nuclear Information System (INIS)

    Fei Xiang; Snow, W.M.

    1999-01-01

    Harmonic potentials can be produced in cylindrical ion traps by means of dynamic orthogonalized anharmonicity compensation with use of two (or multiple) sets of compensation electrodes. One special example is for traps with multiple identical electrodes which are not only easy to construct and allow access to the center region of the trap for particle loading and releasing, laser beams, and microwaves, but also flexible in forming harmonic potential wells in many locations. The nested trap configuration and the side-by-side trap configuration are readily available in this special scheme. Analytical solutions for cylindrical traps with multiple sets of compensation potentials are presented. This work will be useful for studies involving Penning trap diagnostics, atomic and molecular interactions (including the production of antihydrogen atoms), accurate mass measurements of exotic particles, and precision measurements of the spin precession frequencies of trapped particles

  5. Cylindrical Penning traps with dynamic orthogonalized anharmonicity compensation for precision experiments

    CERN Document Server

    Fei Xiang

    1999-01-01

    Harmonic potentials can be produced in cylindrical ion traps by means of dynamic orthogonalized anharmonicity compensation with use of two (or multiple) sets of compensation electrodes. One special example is for traps with multiple identical electrodes which are not only easy to construct and allow access to the center region of the trap for particle loading and releasing, laser beams, and microwaves, but also flexible in forming harmonic potential wells in many locations. The nested trap configuration and the side-by-side trap configuration are readily available in this special scheme. Analytical solutions for cylindrical traps with multiple sets of compensation potentials are presented. This work will be useful for studies involving Penning trap diagnostics, atomic and molecular interactions (including the production of antihydrogen atoms), accurate mass measurements of exotic particles, and precision measurements of the spin precession frequencies of trapped particles.

  6. On a higher order multi-term time-fractional partial differential equation involving Caputo-Fabrizio derivative

    OpenAIRE

    Pirnapasov, Sardor; Karimov, Erkinjon

    2017-01-01

    In the present work we discuss higher order multi-term partial differential equation (PDE) with the Caputo-Fabrizio fractional derivative in time. We investigate a boundary value problem for fractional heat equation involving higher order Caputo-Fabrizio derivatives in time-variable. Using method of separation of variables and integration by parts, we reduce fractional order PDE to the integer order. We represent explicit solution of formulated problem in particular case by Fourier series.

  7. Ultra-compact broadband higher order-mode pass filter fabricated in a silicon waveguide for multimode photonics

    DEFF Research Database (Denmark)

    Guan, Xiaowei; Ding, Yunhong; Frandsen, Lars Hagedorn

    2015-01-01

    An ultra-compact and broadband higher order-mode pass filter in a 1D photonic crystal silicon waveguide is proposed and experimentally demonstrated. The photonic crystal is designed for the lower order mode to work in the photonic band gap, while the higher order mode is located in the air band....... Consequently, light on the lower order mode is prohibited to pass through the filter, while light on a higher order mode can be converted to a Bloch mode in the photonic crystal and pass through the filter with low insertion loss. As an example, we fabricate a similar to 15-mu m-long first-order-mode pass...

  8. Dynamics of massless higher spins in the second order in curvatures

    Energy Technology Data Exchange (ETDEWEB)

    Vasiliev, M A [International Centre for Theoretical Physics, Trieste (Italy)

    1990-04-05

    The consistent equations of motion of interacting massless fields of all spins s=0, 1/2, 1, ..., {infinity} are constructed explicitly to the second order of the expansion in powers of the higher spin strengths. (orig.).

  9. Optimizing students’ scientific communication skills through higher order thinking virtual laboratory (HOTVL)

    Science.gov (United States)

    Sapriadil, S.; Setiawan, A.; Suhandi, A.; Malik, A.; Safitri, D.; Lisdiani, S. A. S.; Hermita, N.

    2018-05-01

    Communication skill is one skill that is very needed in this 21st century. Preparing and teaching this skill in teaching physics is relatively important. The focus of this research is to optimizing of students’ scientific communication skills after the applied higher order thinking virtual laboratory (HOTVL) on topic electric circuit. This research then employed experimental study particularly posttest-only control group design. The subject in this research involved thirty senior high school students which were taken using purposive sampling. A sample of seventy (70) students participated in the research. An equivalent number of thirty five (35) students were assigned to the control and experimental group. The results of this study found that students using higher order thinking virtual laboratory (HOTVL) in laboratory activities had higher scientific communication skills than students who used the verification virtual lab.

  10. Symbolic Algebra Development for Higher-Order Electron Propagator Formulation and Implementation.

    Science.gov (United States)

    Tamayo-Mendoza, Teresa; Flores-Moreno, Roberto

    2014-06-10

    Through the use of symbolic algebra, implemented in a program, the algebraic expression of the elements of the self-energy matrix for the electron propagator to different orders were obtained. In addition, a module for the software package Lowdin was automatically generated. Second- and third-order electron propagator results have been calculated to test the correct operation of the program. It was found that the Fortran 90 modules obtained automatically with our algorithm succeeded in calculating ionization energies with the second- and third-order electron propagator in the diagonal approximation. The strategy for the development of this symbolic algebra program is described in detail. This represents a solid starting point for the automatic derivation and implementation of higher-order electron propagator methods.

  11. Numerical simulation of stratified shear flow using a higher order Taylor series expansion method

    Energy Technology Data Exchange (ETDEWEB)

    Iwashige, Kengo; Ikeda, Takashi [Hitachi, Ltd. (Japan)

    1995-09-01

    A higher order Taylor series expansion method is applied to two-dimensional numerical simulation of stratified shear flow. In the present study, central difference scheme-like method is adopted for an even expansion order, and upwind difference scheme-like method is adopted for an odd order, and the expansion order is variable. To evaluate the effects of expansion order upon the numerical results, a stratified shear flow test in a rectangular channel (Reynolds number = 1.7x10{sup 4}) is carried out, and the numerical velocity and temperature fields are compared with experimental results measured by laser Doppler velocimetry thermocouples. The results confirm that the higher and odd order methods can simulate mean velocity distributions, root-mean-square velocity fluctuations, Reynolds stress, temperature distributions, and root-mean-square temperature fluctuations.

  12. Higher Order Modes Excitation of Micro Cantilever Beams

    KAUST Repository

    Jaber, Nizar

    2014-05-01

    In this study, we present analytical and experimental investigation of electrically actuated micro cantilever based resonators. These devices are fabricated using polyimide and coated with chrome and gold layers from both sides. The cantilevers are highly curled up due to stress gradient, which is a common imperfection in surface micro machining. Using a laser Doppler vibrometer, we applied a noise signal to experimentally find the first four resonance frequencies. Then, using a data acquisition card, we swept the excitation frequency around the first four natural modes of vibrations. Theoretically, we derived a reduced order model using the Galerkin method to simulate the dynamics of the system. Extensive numerical analysis and computations were performed. The numerical analysis was able to provide good matching with experimental values of the resonance frequencies. Also, we proved the ability to excite higher order modes using partial electrodes with shapes that resemble the shape of the mode of interest. Such micro-resonators are shown to be promising for applications in mass and gas sensing.

  13. Higher-order gravity and the classical equivalence principle

    Science.gov (United States)

    Accioly, Antonio; Herdy, Wallace

    2017-11-01

    As is well known, the deflection of any particle by a gravitational field within the context of Einstein’s general relativity — which is a geometrical theory — is, of course, nondispersive. Nevertheless, as we shall show in this paper, the mentioned result will change totally if the bending is analyzed — at the tree level — in the framework of higher-order gravity. Indeed, to first order, the deflection angle corresponding to the scattering of different quantum particles by the gravitational field mentioned above is not only spin dependent, it is also dispersive (energy-dependent). Consequently, it violates the classical equivalence principle (universality of free fall, or equality of inertial and gravitational masses) which is a nonlocal principle. However, contrary to popular belief, it is in agreement with the weak equivalence principle which is nothing but a statement about purely local effects. It is worthy of note that the weak equivalence principle encompasses the classical equivalence principle locally. We also show that the claim that there exists an incompatibility between quantum mechanics and the weak equivalence principle, is incorrect.

  14. Exploratory Movement Generates Higher-Order Information That Is Sufficient for Accurate Perception of Scaled Egocentric Distance

    Science.gov (United States)

    Mantel, Bruno; Stoffregen, Thomas A.; Campbell, Alain; Bardy, Benoît G.

    2015-01-01

    Body movement influences the structure of multiple forms of ambient energy, including optics and gravito-inertial force. Some researchers have argued that egocentric distance is derived from inferential integration of visual and non-visual stimulation. We suggest that accurate information about egocentric distance exists in perceptual stimulation as higher-order patterns that extend across optics and inertia. We formalize a pattern that specifies the egocentric distance of a stationary object across higher-order relations between optics and inertia. This higher-order parameter is created by self-generated movement of the perceiver in inertial space relative to the illuminated environment. For this reason, we placed minimal restrictions on the exploratory movements of our participants. We asked whether humans can detect and use the information available in this higher-order pattern. Participants judged whether a virtual object was within reach. We manipulated relations between body movement and the ambient structure of optics and inertia. Judgments were precise and accurate when the higher-order optical-inertial parameter was available. When only optic flow was available, judgments were poor. Our results reveal that participants perceived egocentric distance from the higher-order, optical-inertial consequences of their own exploratory activity. Analysis of participants’ movement trajectories revealed that self-selected movements were complex, and tended to optimize availability of the optical-inertial pattern that specifies egocentric distance. We argue that accurate information about egocentric distance exists in higher-order patterns of ambient energy, that self-generated movement can generate these higher-order patterns, and that these patterns can be detected and used to support perception of egocentric distance that is precise and accurate. PMID:25856410

  15. Higher-order topological insulators and superconductors protected by inversion symmetry

    Science.gov (United States)

    Khalaf, Eslam

    2018-05-01

    We study surface states of topological crystalline insulators and superconductors protected by inversion symmetry. These fall into the category of "higher-order" topological insulators and superconductors which possess surface states that propagate along one-dimensional curves (hinges) or are localized at some points (corners) on the surface. We provide a complete classification of inversion-protected higher-order topological insulators and superconductors in any spatial dimension for the 10 symmetry classes by means of a layer construction. We discuss possible physical realizations of such states starting with a time-reversal-invariant topological insulator (class AII) in three dimensions or a time-reversal-invariant topological superconductor (class DIII) in two or three dimensions. The former exhibits one-dimensional chiral or helical modes propagating along opposite edges, whereas the latter hosts Majorana zero modes localized to two opposite corners. Being protected by inversion, such states are not pinned to a specific pair of edges or corners, thus offering the possibility of controlling their location by applying inversion-symmetric perturbations such as magnetic field.

  16. Dynamics of massless higher spins in the second order in curvatures

    International Nuclear Information System (INIS)

    Vasiliev, M.A.

    1989-08-01

    The consistent equations of motion of interacting fields of all spins s=0,1/2,1...∞ are constructed explicitly to the second order of the expansion in powers of the higher spin strengths. (author). 14 refs

  17. Higher order multi-term time-fractional partial differential equations involving Caputo-Fabrizio derivative

    Directory of Open Access Journals (Sweden)

    Erkinjon Karimov

    2017-10-01

    Full Text Available In this work we discuss higher order multi-term partial differential equation (PDE with the Caputo-Fabrizio fractional derivative in time. Using method of separation of variables, we reduce fractional order partial differential equation to the integer order. We represent explicit solution of formulated problem in particular case by Fourier series.

  18. Higher-order Peregrine combs and Peregrine walls for the variable-coefficient Lenells-Fokas equation

    Science.gov (United States)

    Wang, Zi-Qi; Wang, Xin; Wang, Lei; Sun, Wen-Rong; Qi, Feng-Hua

    2017-02-01

    In this paper, we study the variable-coefficient Lenells-Fokas (LF) model. Under large periodic modulations in the variable coefficients of the LF model, the generalized Akhmediev breathers develop into the breather multiple births (BMBs) from which we obtain the Peregrine combs (PCs). The PCs can be considered as the limiting case of the BMBs and be transformed into the Peregrine walls (PWs) with a specific amplitude of periodic modulation. We further investigate the spatiotemporal characteristics of the PCs and PWs analytically. Based on the second-order breather and rogue-wave solutions, we derive the corresponding higher-order structures (higher-order PCs and PWs) under proper periodic modulations. What is particularly noteworthy is that the second-order PC can be converted into the Peregrine pyramid which exhibits the higher amplitude and thickness. Our results could be helpful for the design of experiments in the optical fiber communications.

  19. Threshold resummation and higher order effects in QCD

    International Nuclear Information System (INIS)

    Ringer, Felix Maximilian

    2015-01-01

    Quantum chromodynamics (QCD) is a quantum field theory that describes the strong interactions between quarks and gluons, the building blocks of all hadrons. Thanks to the experimental progress over the past decades, there has been an ever-growing need for QCD precision calculations for scattering processes involving hadrons. For processes at large momentum transfer, perturbative QCD offers a systematic approach for obtaining precise predictions. This approach relies on two key concepts: the asymptotic freedom of QCD and factorization. In a perturbative calculation at higher orders, the infrared cancellation between virtual and real emission diagrams generally leaves behind logarithmic contributions. In many observables relevant for hadronic scattering these logarithms are associated with a kinematic threshold and are hence known as ''threshold logarithms''. They become large when the available phase space for real gluon emission shrinks. In order to obtain a reliable prediction from QCD, the threshold logarithms need to be taken into account to all orders in the strong coupling constant, a procedure known as ''threshold resummation''. The main focus of my PhD thesis is on studies of QCD threshold resummation effects beyond the next-to-leading logarithmic order. Here we primarily consider the production of hadron pairs in hadronic collisions as an example. In addition, we also consider hadronic jet production, which is particularly interesting for the phenomenology at the LHC. For both processes, we fully take into account the non-trivial QCD color structure of the underlying partonic hard- scattering cross sections. We find that threshold resummation leads to sizable numerical effects in the kinematic regimes relevant for comparisons to experimental data.

  20. Higher-order asymptotic homogenization of periodic materials with low scale separation

    NARCIS (Netherlands)

    Ameen, M.M.; Peerlings, R.H.J.; Geers, M.G.D

    2016-01-01

    In this work, we investigate the limits of classical homogenization theories pertaining to homogenization of periodic linear elastic composite materials at low scale separations and demonstrate the effectiveness of higher-order periodic homogenization in alleviating this limitation. Classical

  1. Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x = Ax2α + Bx2

    Directory of Open Access Journals (Sweden)

    N. Al Sdran

    2016-06-01

    Full Text Available The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x = Ax2α + Bx2, (A>0, B<0, with (α = 2 for quadratic, (α =3 for sextic and (α =4 for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x by a piecewise-linear potential v(x, while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.

  2. Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline L-alanine

    Energy Technology Data Exchange (ETDEWEB)

    Williams, Robert W. [Department of Biomedical Informatics, Uniformed Services University, 4301 Jones Bridge Road, Bethesda, MD 20815 (United States)], E-mail: bob@bob.usuhs.mil; Schluecker, Sebastian [Institute of Physical Chemistry, University of Wuerzburg, Wuerzburg (Germany); Hudson, Bruce S. [Department of Chemistry, Syracuse University, Syracuse, NY (United States)

    2008-01-22

    A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes.

  3. Inelastic neutron scattering, Raman, vibrational analysis with anharmonic corrections, and scaled quantum mechanical force field for polycrystalline L-alanine

    International Nuclear Information System (INIS)

    Williams, Robert W.; Schluecker, Sebastian; Hudson, Bruce S.

    2008-01-01

    A scaled quantum mechanical harmonic force field (SQMFF) corrected for anharmonicity is obtained for the 23 K L-alanine crystal structure using van der Waals corrected periodic boundary condition density functional theory (DFT) calculations with the PBE functional. Scale factors are obtained with comparisons to inelastic neutron scattering (INS), Raman, and FT-IR spectra of polycrystalline L-alanine at 15-23 K. Calculated frequencies for all 153 normal modes differ from observed frequencies with a standard deviation of 6 wavenumbers. Non-bonded external k = 0 lattice modes are included, but assignments to these modes are presently ambiguous. The extension of SQMFF methodology to lattice modes is new, as are the procedures used here for providing corrections for anharmonicity and van der Waals interactions in DFT calculations on crystals. First principles Born-Oppenheimer molecular dynamics (BOMD) calculations are performed on the L-alanine crystal structure at a series of classical temperatures ranging from 23 K to 600 K. Corrections for zero-point energy (ZPE) are estimated by finding the classical temperature that reproduces the mean square displacements (MSDs) measured from the diffraction data at 23 K. External k = 0 lattice motions are weakly coupled to bonded internal modes

  4. First Measurements of Higher Order Optics Parameters in the LHC

    CERN Document Server

    Vanbavinckhove, G; Bartolini, R; Calaga, R; Giovannozzi, M; Maclean, E H; Miyamoto, R; Schmidt, F; Tomas, R

    2011-01-01

    Higher order effects can play an important role in the performance of the LHC. Lack of knowledge of these pa- rameters can increase the tune footprint and compromise the beam lifetime. First measurements of these parameters at injection and flattop have been conducted. Detailed sim- ulations are compared to the measurements together with discussions on the measurement limitations.

  5. Development of higher order mode couplers at Cornell

    International Nuclear Information System (INIS)

    Amato, J.C.

    1988-01-01

    Higher order mode (HOM) couplers are integral parts of a superconducting accelerator cavity. The damping which the couplers must provide is dictated by the frequency and shunt impedance of the cavity modes as well as by the stability requirements of the accelerator incorporating the cavities. Cornell's 5-cell 1500 MHz elliptical cavity was designed for use in a 50 x 50 GeV electron-positron storage ring with a total beam current of 3.5 mA (CESR-II). HOM couplers for the Cornell cavity were designed and evaluated with this machine in mind. The development of these couplers is described in this paper. 8 references, 8 figures

  6. Higher order branching of periodic orbits from polynomial isochrones

    Directory of Open Access Journals (Sweden)

    B. Toni

    1999-09-01

    Full Text Available We discuss the higher order local bifurcations of limit cycles from polynomial isochrones (linearizable centers when the linearizing transformation is explicitly known and yields a polynomial perturbation one-form. Using a method based on the relative cohomology decomposition of polynomial one-forms complemented with a step reduction process, we give an explicit formula for the overall upper bound of branch points of limit cycles in an arbitrary $n$ degree polynomial perturbation of the linear isochrone, and provide an algorithmic procedure to compute the upper bound at successive orders. We derive a complete analysis of the nonlinear cubic Hamiltonian isochrone and show that at most nine branch points of limit cycles can bifurcate in a cubic polynomial perturbation. Moreover, perturbations with exactly two, three, four, six, and nine local families of limit cycles may be constructed.

  7. Perturbation theory in large order

    International Nuclear Information System (INIS)

    Bender, C.M.

    1978-01-01

    For many quantum mechanical models, the behavior of perturbation theory in large order is strikingly simple. For example, in the quantum anharmonic oscillator, which is defined by -y'' + (x 2 /4 + ex 4 /4 - E) y = 0, y ( +- infinity) = 0, the perturbation coefficients, A/sub n/, in the expansion for the ground-state energy, E(ground state) approx. EPSILON/sub n = 0//sup infinity/ A/sub n/epsilon/sup n/, simplify dramatically as n → infinity: A/sub n/ approx. (6/π 3 )/sup 1/2/(-3)/sup n/GAMMA(n + 1/2). Methods of applied mathematics are used to investigate the nature of perturbation theory in quantum mechanics and show that its large-order behavior is determined by the semiclassical content of the theory. In quantum field theory the perturbation coefficients are computed by summing Feynman graphs. A statistical procedure in a simple lambda phi 4 model for summing the set of all graphs as the number of vertices → infinity is presented. Finally, the connection between the large-order behavior of perturbation theory in quantum electrodynamics and the value of α, the charge on the electron, is discussed. 7 figures

  8. Predictors of third and Higher order births in India

    Directory of Open Access Journals (Sweden)

    Payal Singh

    2015-12-01

    Full Text Available Background: Total fertility rate (TFR reflecting population growth is closely related to higher order parity progression. Many Indian states reached replacement level of TFR, but still states constituting nearly 40% population are with TFR ≥ 3. The predictors are the desire of son’s, poor contraceptives practices, younger age at marriage, child loss and shorter birth spacing. Objective: This analysis assessed the degree of relation of 3rd and higher order parity progression with the above mentioned predictors. Material and Methods: State/Union Territories wise proportions of women: progressing to ≥3 births, more sons desire, birth spacing <24 months, adopting modern contraception and median marriage age <18 years along with infant mortality rate (IMR were taken from NFHS-III report. Correlation matrix and stepwise forward multiple regression carried. Significance was seen at 5%. Results: Hindi speaking states constituting 38.92% nation population recorded TFR ≥3. Positive correlation of mothers progressing ≥ 3 births was highest (0.746 with those desiring more sons followed by IMR (0.445; while maximum negative correlation with those practicing modern contraceptives (-0.565 followed by median age at marriage (-0.391. Multiple regression analysis in order identified desire of more sons, practicing modern contraception and shorter birth spacing as the significant predictors and jointly explained 77.9% of the total variation with gain of 15.5% by adding modern contraceptive practice and 8.3% by adding shorter birth spacing. Conclusions: Desire of more sons appeared the most important predictor to progress ≥3 births that is governed by society culture and educational attainment, require attitudinal change. Further, mothers need motivation to practice both spacing and terminal methods once family is complete.

  9. Higher-Order Blind Signal Feature Separation: An Enabling Technology for Battlefield Awareness

    National Research Council Canada - National Science Library

    Su, Wei; Kosinski, John A

    2006-01-01

    Higher-order transform blind signal feature classification is discussed for separating bar-shaped, circular, squared, circular-squared, and offset-diamonded constellation patterns of digital linear signals...

  10. Frequency and Temperature Dependence of Anharmonic Phonon Relaxation Rate in Carbon Nanotubes

    International Nuclear Information System (INIS)

    Hepplestone, S P; Srivastava, G P

    2007-01-01

    The relaxation rate of phonon modes in the (10, 10) single wall carbon nanotube undergoing three-phonon interactions at various temperatures has been studied using both qualitative and quantitative approaches based upon Fermi's Golden Rule and a quasi-elastic continuum model for the anharmonic potential. For the quantitative calculations, dispersion relations for the phonon modes were obtained from analytic expressions developed by Zhang et al. The qualitative expressions were derived using simple linear phonon dispersions relations. We show that in the high temperature regime the relaxation rate varies linearly with temperature and with the square of the frequency. In the low temperature regime we show that the relaxation rate varies exponentially with the inverse of temperature. These results have some very interesting implifications for effects for mean free path and thermal conductivity calculations

  11. Anharmonicity, mechanical instability, and thermodynamic properties of the Cr-Re σ-phase

    Energy Technology Data Exchange (ETDEWEB)

    Palumbo, Mauro, E-mail: mauro.palumbo@rub.de; Fries, Suzana G. [ICAMS, Ruhr University Bochum, Universität Str. 150, D-44801 Bochum (Germany); Pasturel, Alain [SIMAP, UMR CNRS-INPG-UJF 5266, BP 75, F-38402 Saint Martin d’Hères (France); Alfè, Dario [Department of Earth Sciences, Department of Physics and Astronomy, London Centre for Nanotechnology and Thomas Young Centre-UCL, University College London, Gower Street, London WC1E 6BT (United Kingdom)

    2014-04-14

    Using density-functional theory in combination with the direct force method and molecular dynamics we investigate the vibrational properties of a binary Cr-Re σ-phase. In the harmonic approximation, we have computed phonon dispersion curves and density of states, evidencing structural and chemical effects. We found that the σ-phase is mechanically unstable in some configurations, for example, when all crystallographic sites are occupied by Re atoms. By using a molecular-dynamics-based method, we have analysed the anharmonicity in the system and found negligible effects (∼0.5 kJ/mol) on the Helmholtz energy of the binary Cr-Re σ-phase up to 2000 K (∼0.8T{sub m}). Finally, we show that the vibrational contribution has significant consequences on the disordering of the σ-phase at high temperature.

  12. Experimental investigations of higher-order springing and whipping-WILS project

    Directory of Open Access Journals (Sweden)

    Hong Sa Young

    2014-12-01

    Full Text Available Springing and whipping are becoming increasingly important considerations in ship design as container ships increase in size. In this study, the springing and whipping characteristics of a large container ship were investigated through a series of systematic model tests in waves. A multi-segmented hull model with a backbone was adopted for measurement of springing and whipping signals. A conversion method for extracting torsion springing and whipping is described in this paper for the case of an open-section backbone. Higher-order springing, higher-mode torsion responses, and the effects of linear and nonlinear springing in irregular waves are highlighted in the discussion.

  13. A Higher-Order Neural Network Design for Improving Segmentation Performance in Medical Image Series

    International Nuclear Information System (INIS)

    Selvi, Eşref; Selver, M Alper; Güzeliş, Cüneyt; Dicle, Oǧuz

    2014-01-01

    Segmentation of anatomical structures from medical image series is an ongoing field of research. Although, organs of interest are three-dimensional in nature, slice-by-slice approaches are widely used in clinical applications because of their ease of integration with the current manual segmentation scheme. To be able to use slice-by-slice techniques effectively, adjacent slice information, which represents likelihood of a region to be the structure of interest, plays critical role. Recent studies focus on using distance transform directly as a feature or to increase the feature values at the vicinity of the search area. This study presents a novel approach by constructing a higher order neural network, the input layer of which receives features together with their multiplications with the distance transform. This allows higher-order interactions between features through the non-linearity introduced by the multiplication. The application of the proposed method to 9 CT datasets for segmentation of the liver shows higher performance than well-known higher order classification neural networks

  14. Equivalence of two formalisms for calculating higher order synchrotron sideband spin resonances

    International Nuclear Information System (INIS)

    Mane, S.R.

    1988-01-01

    Synchrotron sideband resonances of a first order spin resonance are generally regarded as the most important higher order spin resonances in a high-energy storage ring. Yokoya's formula for these resonances is rederived, including some extra terms, which he neglected, but which turn out to be of comparable magnitude to the terms retained. Including these terms, Yokoya's formalism and the SMILE algorithm are shown to be equivalent to leading order in the resonance strengths. The theoretical calculations are shown to agree with certain measurements from SPEAR

  15. Multipacting and higher order mode analysis of 325 MHz single spoke resonators

    International Nuclear Information System (INIS)

    Pal, Mukesh Kumar; Gaur, Rahul; Kumar, Vinit

    2015-01-01

    Superconducting Single Spoke Resonators (SSRs) will be used to accelerate the H - ions from 3 MeV to 160 MeV in the injector linac for the proposed Indian Spallation Neutron Source (ISNS) at RRCAT. Electromagnetic design studies of 325 MHz SSRs have been performed for βg = 0.11, 0.22 and 0.42. Performance of SSRs are typically limited by multipacting phenomenon and higher order modes. In our design, we have performed detailed studies of electron multipacting phenomenon, which is a resonant process, using a computer code CST-PS. Based on this analysis, refinements in the geometry of the SSRs have been made, in order to reduce the growth rate of multipacting. We have also carried out extensive analysis of Higher Order Mode (HOM) for the SSR structure, using the computer code CST-MWS, where the R/Q parameter has been calculated for monopole, dipole and quadrupole HaMs. Details of these calculations will be presented in this paper. (author)

  16. Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

    Science.gov (United States)

    Pietropolli Charmet, Andrea; Cornaton, Yann

    2018-05-01

    This work presents an investigation of the theoretical predictions yielded by anharmonic force fields having the cubic and quartic force constants are computed analytically by means of density functional theory (DFT) using the recursive scheme developed by M. Ringholm et al. (J. Comput. Chem. 35 (2014) 622). Different functionals (namely B3LYP, PBE, PBE0 and PW86x) and basis sets were used for calculating the anharmonic vibrational spectra of two halomethanes. The benchmark analysis carried out demonstrates the reliability and overall good performances offered by hybrid approaches, where the harmonic data obtained at the coupled cluster with single and double excitations level of theory augmented by a perturbational estimate of the effects of connected triple excitations, CCSD(T), are combined with the fully analytic higher order force constants yielded by DFT functionals. These methods lead to reliable and computationally affordable calculations of anharmonic vibrational spectra with an accuracy comparable to that yielded by hybrid force fields having the anharmonic force fields computed at second order Møller-Plesset perturbation theory (MP2) level of theory using numerical differentiation but without the corresponding potential issues related to computational costs and numerical errors.

  17. Higher-order aberrations and visual acuity after LASEK.

    Science.gov (United States)

    Urgancioglu, Berrak; Bilgihan, Kamil; Ozturk, Sertac

    2008-08-01

    To determine ocular higher-order aberrations (HOAs) in eyes with supernormal vision after myopic astigmatic laser subepithelial keratomileusis (LASEK) and to compare the findings with those in eyes with natural supernormal vision. Ocular HOAs were measured after LASEK in 20 eyes of 12 myopic astigmatic patients with postoperative uncorrected visual acuity (UCVA) of >20/16 (group 1). Patients who were included in the study had no visual symptoms like glare, halo or double vision. The measurements were taken 8.3 +/- 3 months after LASEK surgery. In group 2 ocular HOAs were examined in 20 eyes of 10 subjects with natural UCVA of >20/16 as a control. Measurements were taken across a pupil with a diameter of 4.0 mm and 6.0 mm. Root-mean-square (RMS) values of HOAs, Z(3)-1, Z(3)1, Z(4)0, Z(5)-1, Z(5)1 and Z(6)0 were analyzed. The mean RMS values for each order were higher in group 1 when compared with group 2 at 4.0 mm and 6.0 mm pupil diameters. There was no statistically significant difference between groups in spherical and coma aberrations (P > 0.05). Mean RMS values for total HOAs were 0.187 +/- 0.09 microm at 4.0 mm and 0.438 +/- 0.178 microm at 6.0 mm pupil in group 1 and 0.120 +/- 0.049 microm at 4.0 mm and 0.344 +/- 0.083 microm at 6.0 mm pupil in group 2. The difference between groups in total HOAs was statistically significant at 4.0 mm and 6.0 mm pupil diameters (P < 0.05). Ocular HOAs exist in eyes with supernormal vision. After LASEK, the amount of HOAs of the eye increases under both mesopic and photopic conditions. However the amount of HOA increase does not seem to be consistent with visual symptoms.

  18. A review of higher order strain gradient theories of plasticity: Origins ...

    Indian Academy of Sciences (India)

    require higher order boundary conditions that enable us to model effects of disloca- ..... where ǫ0 is a reference strain, σ0 the yield stress and n the strain hardening exponent. The ...... Petch N J 1953 J. Iron Steel Inst. London 173: 25. Pantleon ...

  19. MHD stability analysis using higher order spline functions

    Energy Technology Data Exchange (ETDEWEB)

    Ida, Akihiro [Department of Energy Engineering and Science, Graduate School of Engineering, Nagoya University, Nagoya, Aichi (Japan); Todoroki, Jiro; Sanuki, Heiji

    1999-04-01

    The eigenvalue problem of the linearized magnetohydrodynamic (MHD) equation is formulated by using higher order spline functions as the base functions of Ritz-Galerkin approximation. When the displacement vector normal to the magnetic surface (in the magnetic surface) is interpolated by B-spline functions of degree p{sub 1} (degree p{sub 2}), which is continuously c{sub 1}-th (c{sub 2}-th) differentiable on neighboring finite elements, the sufficient conditions for the good approximation is given by p{sub 1}{>=}p{sub 2}+1, c{sub 1}{<=}c{sub 2}+1, (c{sub 1}{>=}1, p{sub 2}{>=}c{sub 2}{>=}0). The influence of the numerical integration upon the convergence of calculated eigenvalues is discussed. (author)

  20. Higher-order Multivariable Polynomial Regression to Estimate Human Affective States

    Science.gov (United States)

    Wei, Jie; Chen, Tong; Liu, Guangyuan; Yang, Jiemin

    2016-03-01

    From direct observations, facial, vocal, gestural, physiological, and central nervous signals, estimating human affective states through computational models such as multivariate linear-regression analysis, support vector regression, and artificial neural network, have been proposed in the past decade. In these models, linear models are generally lack of precision because of ignoring intrinsic nonlinearities of complex psychophysiological processes; and nonlinear models commonly adopt complicated algorithms. To improve accuracy and simplify model, we introduce a new computational modeling method named as higher-order multivariable polynomial regression to estimate human affective states. The study employs standardized pictures in the International Affective Picture System to induce thirty subjects’ affective states, and obtains pure affective patterns of skin conductance as input variables to the higher-order multivariable polynomial model for predicting affective valence and arousal. Experimental results show that our method is able to obtain efficient correlation coefficients of 0.98 and 0.96 for estimation of affective valence and arousal, respectively. Moreover, the method may provide certain indirect evidences that valence and arousal have their brain’s motivational circuit origins. Thus, the proposed method can serve as a novel one for efficiently estimating human affective states.

  1. From "Hello" to Higher-Order Thinking: The Effect of Coaching and Feedback on Online Chats

    Science.gov (United States)

    Stein, David S.; Wanstreet, Constance E.; Slagle, Paula; Trinko, Lynn A.; Lutz, Michelle

    2013-01-01

    This exploratory study examined the effect of a coaching and feedback intervention in teaching presence and social presence on higher-order thinking in an online community of inquiry. Coaching occurred before each chat, and feedback was provided immediately afterwards. The findings suggest that over time, the frequency of higher-order thinking…

  2. Multi-domain, higher order level set scheme for 3D image segmentation on the GPU

    DEFF Research Database (Denmark)

    Sharma, Ojaswa; Zhang, Qin; Anton, François

    2010-01-01

    to evaluate level set surfaces that are $C^2$ continuous, but are slow due to high computational burden. In this paper, we provide a higher order GPU based solver for fast and efficient segmentation of large volumetric images. We also extend the higher order method to multi-domain segmentation. Our streaming...

  3. Predicting early academic achievement: The role of higher-versus lower-order personality traits

    Directory of Open Access Journals (Sweden)

    Zupančič Maja

    2011-01-01

    Full Text Available The study explored the role of children’s (N = 193 individual differences and parental characteristics at the beginning of the first year of schooling in predicting students’ attainment of academic standards at the end of the year. Special attention was paid to children’s personality as perceived by the teachers’ assistants. Along with parents’ education, parenting practices and first-graders’ cognitive ability, the incremental predictive power of children’s higher-order (robust personality traits was compared to the contribution of lower-order (specific traits in explaining academic achievement. The specific traits provided a somewhat more accurate prediction than the robust traits. Unique contributions of maternal authoritative parenting, children’s cognitive ability, and personality to academic achievement were established. The ratings of first-graders’ conscientiousness (a higher-order trait improved the prediction of academic achievement based on parenting and cognitive ability by 12%, whereas assistant teacher’s perceived children’s intelligence and low antagonism (lower-order traits improved the prediction by 17%.

  4. Holographic conductivity of holographic superconductors with higher-order corrections

    Energy Technology Data Exchange (ETDEWEB)

    Sheykhi, Ahmad [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Ghazanfari, Afsoon; Dehyadegari, Amin [Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of)

    2018-02-15

    We analytically and numerically disclose the effects of the higher-order correction terms in the gravity and in the gauge field on the properties of s-wave holographic superconductors. On the gravity side, we consider the higher curvature Gauss-Bonnet corrections and on the gauge field side, we add a quadratic correction term to the Maxwell Lagrangian. We show that, for this system, one can still obtain an analytical relation between the critical temperature and the charge density. We also calculate the critical exponent and the condensation value both analytically and numerically. We use a variational method, based on the Sturm-Liouville eigenvalue problem for our analytical study, as well as a numerical shooting method in order to compare with our analytical results. For a fixed value of the Gauss-Bonnet parameter, we observe that the critical temperature decreases with increasing the nonlinearity of the gauge field. This implies that the nonlinear correction term to the Maxwell electrodynamics makes the condensation harder. We also study the holographic conductivity of the system and disclose the effects of the Gauss-Bonnet and nonlinear parameters α and b on the superconducting gap. We observe that, for various values of α and b, the real part of the conductivity is proportional to the frequency per temperature, ω/T, as the frequency is large enough. Besides, the conductivity has a minimum in the imaginary part which is shifted toward greater frequency with decreasing temperature. (orig.)

  5. The higher order flux mapping method in large size PHWRs

    International Nuclear Information System (INIS)

    Kulkarni, A.K.; Balaraman, V.; Purandare, H.D.

    1997-01-01

    A new higher order method is proposed for obtaining flux map using single set of expansion mode. In this procedure, one can make use of the difference between predicted value of detector reading and their actual values for determining the strength of local fluxes around detector site. The local fluxes are arising due to constant perturbation changes (both extrinsic and intrinsic) taking place in the reactor. (author)

  6. Connection between weighted LPC and higher-order statistics for AR model estimation

    NARCIS (Netherlands)

    Kamp, Y.; Ma, C.

    1993-01-01

    This paper establishes the relationship between a weighted linear prediction method used for robust analysis of voiced speech and the autoregressive modelling based on higher-order statistics, known as cumulants

  7. Quantifying the impact of scholarly papers based on higher-order weighted citations.

    Science.gov (United States)

    Bai, Xiaomei; Zhang, Fuli; Hou, Jie; Lee, Ivan; Kong, Xiangjie; Tolba, Amr; Xia, Feng

    2018-01-01

    Quantifying the impact of a scholarly paper is of great significance, yet the effect of geographical distance of cited papers has not been explored. In this paper, we examine 30,596 papers published in Physical Review C, and identify the relationship between citations and geographical distances between author affiliations. Subsequently, a relative citation weight is applied to assess the impact of a scholarly paper. A higher-order weighted quantum PageRank algorithm is also developed to address the behavior of multiple step citation flow. Capturing the citation dynamics with higher-order dependencies reveals the actual impact of papers, including necessary self-citations that are sometimes excluded in prior studies. Quantum PageRank is utilized in this paper to help differentiating nodes whose PageRank values are identical.

  8. Hamilton-Jacobi approach for first order actions and theories with higher derivatives

    International Nuclear Information System (INIS)

    Bertin, M.C.; Pimentel, B.M.; Pompeia, P.J.

    2008-01-01

    In this work, we analyze systems described by Lagrangians with higher order derivatives in the context of the Hamilton-Jacobi formalism for first order actions. Two different approaches are studied here: the first one is analogous to the description of theories with higher derivatives in the hamiltonian formalism according to [D.M. Gitman, S.L. Lyakhovich, I.V. Tyutin, Soviet Phys. J. 26 (1983) 730; D.M. Gitman, I.V. Tyutin, Quantization of Fields with Constraints, Springer-Verlag, New York, Berlin, 1990] the second treats the case where degenerate coordinate are present, in an analogy to reference [D.M. Gitman, I.V. Tyutin, Nucl. Phys. B 630 (2002) 509]. Several examples are analyzed where a comparison between both approaches is made

  9. Compound waves in a higher order nonlinear model of thermoviscous fluids

    DEFF Research Database (Denmark)

    Rønne Rasmussen, Anders; Sørensen, Mads Peter; Gaididei, Yuri B.

    2016-01-01

    A generalized traveling wave ansatz is used to investigate compound shock waves in a higher order nonlinear model of a thermoviscous fluid. The fluid velocity potential is written as a traveling wave plus a linear function of space and time. The latter offers the possibility of predicting...

  10. H2O2-induced higher order chromatin degradation: A novel ...

    Indian Academy of Sciences (India)

    Unknown

    mediator of oxidative stress, can also cause genomic damage indirectly. Thus, H2O2 at pathologically relevant concentrations rapidly induces higher order chromatin degradation (HOCD), i.e. enzymatic ... clease works through a single strand scission mechanism ... a great mutagenic risk to the surviving cells, because en-.

  11. Development of a Higher Order Laminate Theory for Modeling Composites with Induced Strain Actuators

    Science.gov (United States)

    Chattopadhyay, Aditi; Seeley, Charles E.

    1996-01-01

    A refined higher order plate theory is developed to investigate the actuation mechanism of piezoelectric materials surface bonded or embedded in composite laminates. The current analysis uses a displacement field which accurately accounts for transverse shear stresses. Some higher order terms are identified by using the conditions that shear stresses vanish at all free surfaces. Therefore, all boundary conditions for displacements and stresses are satisfied in the present theory. The analysis is implemented using the finite element method which provides a convenient means to construct a numerical solution due to the discrete nature of the actuators. The higher order theory is computationally less expensive than a full three dimensional analysis. The theory is also shown to agree well with published experimental results. Numerical examples are presented for composite plates with thicknesses ranging from thin to very thick.

  12. Transition, coexistence, and interaction of vector localized waves arising from higher-order effects

    International Nuclear Information System (INIS)

    Liu, Chong; Yang, Zhan-Ying; Zhao, Li-Chen; Yang, Wen-Li

    2015-01-01

    We study vector localized waves on continuous wave background with higher-order effects in a two-mode optical fiber. The striking properties of transition, coexistence, and interaction of these localized waves arising from higher-order effects are revealed in combination with corresponding modulation instability (MI) characteristics. It shows that these vector localized wave properties have no analogues in the case without higher-order effects. Specifically, compared to the scalar case, an intriguing transition between bright–dark rogue waves and w-shaped–anti-w-shaped solitons, which occurs as a result of the attenuation of MI growth rate to vanishing in the zero-frequency perturbation region, is exhibited with the relative background frequency. In particular, our results show that the w-shaped–anti-w-shaped solitons can coexist with breathers, coinciding with the MI analysis where the coexistence condition is a mixture of a modulation stability and MI region. It is interesting that their interaction is inelastic and describes a fusion process. In addition, we demonstrate an annihilation phenomenon for the interaction of two w-shaped solitons which is identified essentially as an inelastic collision in this system. -- Highlights: •Vector rogue wave properties induced by higher-order effects are studied. •A transition between vector rogue waves and solitons is obtained. •The link between the transition and modulation instability (MI) is demonstrated. •The coexistence of vector solitons and breathers coincides with the MI features. •An annihilation phenomenon for the vector two w-shaped solitons is presented.

  13. Transition, coexistence, and interaction of vector localized waves arising from higher-order effects

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chong [School of Physics, Northwest University, Xi’an 710069 (China); Yang, Zhan-Ying, E-mail: zyyang@nwu.edu.cn [School of Physics, Northwest University, Xi’an 710069 (China); Zhao, Li-Chen, E-mail: zhaolichen3@163.com [School of Physics, Northwest University, Xi’an 710069 (China); Yang, Wen-Li [Institute of Modern Physics, Northwest University, Xi’an 710069 (China)

    2015-11-15

    We study vector localized waves on continuous wave background with higher-order effects in a two-mode optical fiber. The striking properties of transition, coexistence, and interaction of these localized waves arising from higher-order effects are revealed in combination with corresponding modulation instability (MI) characteristics. It shows that these vector localized wave properties have no analogues in the case without higher-order effects. Specifically, compared to the scalar case, an intriguing transition between bright–dark rogue waves and w-shaped–anti-w-shaped solitons, which occurs as a result of the attenuation of MI growth rate to vanishing in the zero-frequency perturbation region, is exhibited with the relative background frequency. In particular, our results show that the w-shaped–anti-w-shaped solitons can coexist with breathers, coinciding with the MI analysis where the coexistence condition is a mixture of a modulation stability and MI region. It is interesting that their interaction is inelastic and describes a fusion process. In addition, we demonstrate an annihilation phenomenon for the interaction of two w-shaped solitons which is identified essentially as an inelastic collision in this system. -- Highlights: •Vector rogue wave properties induced by higher-order effects are studied. •A transition between vector rogue waves and solitons is obtained. •The link between the transition and modulation instability (MI) is demonstrated. •The coexistence of vector solitons and breathers coincides with the MI features. •An annihilation phenomenon for the vector two w-shaped solitons is presented.

  14. In-Service Teacher Education: Asking Questions for Higher Order Thinking in Visual Literacy

    Science.gov (United States)

    Moodley, Visvaganthie

    2013-01-01

    The kinds of questions teachers ask may thwart or promote learner high-order thinking; teachers themselves must have expertise in questioning skills to promote higher order cognition among learners. Drawing on experiential knowledge of assessment, and as an English-teaching professional development programme (PDP) facilitator, I demonstrate that…

  15. The Relationship between Higher Order Thinking Skills and Academic Performance of Student in Mathematics Instruction

    Science.gov (United States)

    Tanujaya, Benidiktus; Mumu, Jeinne; Margono, Gaguk

    2017-01-01

    Higher order thinking skills (HOTS) is one of important aspects in education. Students with high level of higher order thinking skills tend to be more successful. However, do this phenomenon also happen in the learning of Mathematics? To answer this question, this research aims to study the relationship between HOTS and students' academic…

  16. Higher-order geodesic deviation for charged particles and resonance induced by gravitational waves

    Science.gov (United States)

    Heydari-Fard, M.; Hasani, S. N.

    We generalize the higher-order geodesic deviation for the structure-less test particles to the higher-order geodesic deviation equations of the charged particles [R. Kerner, J. W. van Holten and R. Colistete Jr., Class. Quantum Grav. 18 (2001) 4725]. By solving these equations for charged particles moving in a constant magnetic field in the spacetime of a gravitational wave, we show for both cases when the gravitational wave is parallel and perpendicular to the constant magnetic field, a magnetic resonance appears at wg = Ω. This feature might be useful to detect the gravitational wave with high frequencies.

  17. Higher order mode analysis of the SNS superconducting linac

    CERN Document Server

    Sang Ho Kim; Dong Jeon; Sundelin, R

    2001-01-01

    Higher order modes (HOM's) of monopoles, dipoles, quadrupoles and sextupoles in beta =0.61 and beta =0.81 6-cell superconducting (SC) cavities for the Spallation Neutron Source (SNS) project, have been found up to about 3 GHz and their properties such as R/Q, trapping possibility, etc have been figured out concerning manufacturing imperfection. The main issues of HOM's are beam instabilities (published separately) and HOM induced power especially from TM monopoles. The time structure of SNS beam has three different time scales of pulses, which are micro-pulse, midi-pulse and macropulse. Each time structure will generate resonances. When a mode is near these resonance frequencies, the induced voltage could be large and accordingly the resulting HOM power. In order to understand the effects from such a complex beam time structure on the mode excitation and resulting HOM power, analytic expressions are developed. With these analytic expressions, the induced HOM voltage and HOM power were calculated by assuming e...

  18. Correlated stopping, proton clusters and higher order proton cumulants

    Energy Technology Data Exchange (ETDEWEB)

    Bzdak, Adam [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Krakow (Poland); Koch, Volker [Lawrence Berkeley National Laboratory, Nuclear Science Division, Berkeley, CA (United States); Skokov, Vladimir [RIKEN/BNL, Brookhaven National Laboratory, Upton, NY (United States)

    2017-05-15

    We investigate possible effects of correlations between stopped nucleons on higher order proton cumulants at low energy heavy-ion collisions. We find that fluctuations of the number of wounded nucleons N{sub part} lead to rather nontrivial dependence of the correlations on the centrality; however, this effect is too small to explain the large and positive four-proton correlations found in the preliminary data collected by the STAR collaboration at √(s) = 7.7 GeV. We further demonstrate that, by taking into account additional proton clustering, we are able to qualitatively reproduce the preliminary experimental data. We speculate that this clustering may originate either from collective/multi-collision stopping which is expected to be effective at lower energies or from a possible first-order phase transition, or from (attractive) final state interactions. To test these ideas we propose to measure a mixed multi-particle correlation between stopped protons and a produced particle (e.g. pion, antiproton). (orig.)

  19. Higher-order Nielsen numbers

    Directory of Open Access Journals (Sweden)

    Saveliev Peter

    2005-01-01

    Full Text Available Suppose , are manifolds, are maps. The well-known coincidence problem studies the coincidence set . The number is called the codimension of the problem. More general is the preimage problem. For a map and a submanifold of , it studies the preimage set , and the codimension is . In case of codimension , the classical Nielsen number is a lower estimate of the number of points in changing under homotopies of , and for an arbitrary codimension, of the number of components of . We extend this theory to take into account other topological characteristics of . The goal is to find a "lower estimate" of the bordism group of . The answer is the Nielsen group defined as follows. In the classical definition, the Nielsen equivalence of points of based on paths is replaced with an equivalence of singular submanifolds of based on bordisms. We let , then the Nielsen group of order is the part of preserved under homotopies of . The Nielsen number of order is the rank of this group (then . These numbers are new obstructions to removability of coincidences and preimages. Some examples and computations are provided.

  20. Analyzes of students’ higher-order thinking skills of heat and temperature concept

    Science.gov (United States)

    Slamet Budiarti, Indah; Suparmi, A.; Sarwanto; Harjana

    2017-11-01

    High order thinking skills refer to three highest domains of the revised Bloom Taxonomy. The aims of the research were to analyze the student’s higher-order thinking skills of heat and temperature concept. The samples were taken by purposive random sampling technique consisted of 85 high school students from 3 senior high schools in Jayapura city. The descriptive qualitative method was employed in this study. The data were collected by using tests and interviews regarding the subject matters of heat and temperature. Based on the results of data analysis, it was concluded that 68.24% of the students have a high order thinking skills in the analysis, 3.53% of the students have a high order thinking skills in evaluating, and 0% of the students have a high order thinking skills in creation.

  1. Alignment of learning objectives and assessments in therapeutics courses to foster higher-order thinking.

    Science.gov (United States)

    FitzPatrick, Beverly; Hawboldt, John; Doyle, Daniel; Genge, Terri

    2015-02-17

    To determine whether national educational outcomes, course objectives, and classroom assessments for 2 therapeutics courses were aligned for curricular content and cognitive processes, and if they included higher-order thinking. Document analysis and student focus groups were used. Outcomes, objectives, and assessment tasks were matched for specific therapeutics content and cognitive processes. Anderson and Krathwohl's Taxonomy was used to define higher-order thinking. Students discussed whether assessments tested objectives and described their thinking when responding to assessments. There were 7 outcomes, 31 objectives, and 412 assessment tasks. The alignment for content and cognitive processes was not satisfactory. Twelve students participated in the focus groups. Students thought more short-answer questions than multiple choice questions matched the objectives for content and required higher-order thinking. The alignment analysis provided data that could be used to reveal and strengthen the enacted curriculum and improve student learning.

  2. Shape invariant higher-order Bessel-like beams carrying orbital angular momentum

    CSIR Research Space (South Africa)

    Ismail, Y

    2012-09-01

    Full Text Available -1 Journal of Optics September 2012/ Vol. 14 Shape invariant higher-order Bessel-like beams carrying orbital angular momentum Y Ismail1,2, N Khilo3, V Belyi3 and A Forbes1,2 1 School of Physics, University of KwaZulu-Natal, Private Bag X54001...

  3. Quantifying the impact of scholarly papers based on higher-order weighted citations

    Science.gov (United States)

    Bai, Xiaomei; Zhang, Fuli; Hou, Jie; Kong, Xiangjie; Tolba, Amr; Xia, Feng

    2018-01-01

    Quantifying the impact of a scholarly paper is of great significance, yet the effect of geographical distance of cited papers has not been explored. In this paper, we examine 30,596 papers published in Physical Review C, and identify the relationship between citations and geographical distances between author affiliations. Subsequently, a relative citation weight is applied to assess the impact of a scholarly paper. A higher-order weighted quantum PageRank algorithm is also developed to address the behavior of multiple step citation flow. Capturing the citation dynamics with higher-order dependencies reveals the actual impact of papers, including necessary self-citations that are sometimes excluded in prior studies. Quantum PageRank is utilized in this paper to help differentiating nodes whose PageRank values are identical. PMID:29596426

  4. An initial framework for the language of higher-order thinking mathematics practices

    Science.gov (United States)

    Staples, Megan E.; Truxaw, Mary P.

    2012-09-01

    This article presents an examination of the language demands of cognitively demanding tasks and proposes an initial framework for the language demands of higher-order mathematics thinking practices. We articulate four categories for this framework: language of generalisation, language of comparison, language of proportional reasoning, and language of analysing impact. These categories were developed out of our collaborative work to design and implement higher-order thinking tasks with a group of Grade 9 (14- and 15-year-olds) teachers teaching in a linguistically diverse setting; analyses of student work samples on these tasks; and our knowledge of the literature. We describe each type of language demand and then analyse student work in each category to reveal linguistic challenges facing students as they engage these mathematical tasks. Implications for teaching and professional development are discussed.

  5. Pairwise and higher-order correlations among drug-resistance mutations in HIV-1 subtype B protease

    Directory of Open Access Journals (Sweden)

    Morozov Alexandre V

    2009-08-01

    Full Text Available Abstract Background The reaction of HIV protease to inhibitor therapy is characterized by the emergence of complex mutational patterns which confer drug resistance. The response of HIV protease to drugs often involves both primary mutations that directly inhibit the action of the drug, and a host of accessory resistance mutations that may occur far from the active site but may contribute to restoring the fitness or stability of the enzyme. Here we develop a probabilistic approach based on connected information that allows us to study residue, pair level and higher-order correlations within the same framework. Results We apply our methodology to a database of approximately 13,000 sequences which have been annotated by the treatment history of the patients from which the samples were obtained. We show that including pair interactions is essential for agreement with the mutational data, since neglect of these interactions results in order-of-magnitude errors in the probabilities of the simultaneous occurence of many mutations. The magnitude of these pair correlations changes dramatically between sequences obtained from patients that were or were not exposed to drugs. Higher-order effects make a contribution of as much as 10% for residues taken three at a time, but increase to more than twice that for 10 to 15-residue groups. The sequence data is insufficient to determine the higher-order effects for larger groups. We find that higher-order interactions have a significant effect on the predicted frequencies of sequences with large numbers of mutations. While relatively rare, such sequences are more prevalent after multi-drug therapy. The relative importance of these higher-order interactions increases with the number of drugs the patient had been exposed to. Conclusion Correlations are critical for the understanding of mutation patterns in HIV protease. Pair interactions have substantial qualitative effects, while higher-order interactions are

  6. General relativity and gauge gravity theories of higher order

    International Nuclear Information System (INIS)

    Konopleva, N.P.

    1998-01-01

    It is a short review of today's gauge gravity theories and their relations with Einstein General Relativity. The conceptions of construction of the gauge gravity theories with higher derivatives are analyzed. GR is regarded as the gauge gravity theory corresponding to the choice of G ∞4 as the local gauge symmetry group and the symmetrical tensor of rank two g μν as the field variable. Using the mathematical technique, single for all fundamental interactions (namely variational formalism for infinite Lie groups), we can obtain Einstein's theory as the gauge theory without any changes. All other gauge approaches lead to non-Einstein theories of gravity. But above-mentioned mathematical technique permits us to construct the gauge gravity theory of higher order (for instance SO (3,1)-gravity) so that all vacuum solutions of Einstein equations are the solutions of the SO (3,1)-gravity theory. The structure of equations of SO(3,1)-gravity becomes analogous to Weeler-Misner geometrodynamics one

  7. Impact of higher-order flows in the moment equations on Pfirsch-Schlüter friction coefficients

    Energy Technology Data Exchange (ETDEWEB)

    Honda, M., E-mail: honda.mitsuru@jaea.go.jp [Japan Atomic Energy Agency, Naka, Ibaraki 311-0193 (Japan)

    2014-09-15

    The impact of the higher-order flows in the moment approach on an estimate of the friction coefficients is numerically examined. The higher-order flows are described by the lower-order hydrodynamic flows using the collisional plasma assumption. Their effects have not been consistently taken into account thus far in the widely used neoclassical transport codes based on the moment equations in terms of the Pfirsch-Schlüter flux. Due to numerically solving the friction-flow matrix without using the small-mass ratio expansion, it is clearly revealed that incorporating the higher-order flow effects is of importance especially for plasmas including multiple hydrogenic ions and other lighter species with similar masses.

  8. Limit cycles via higher order perturbations for some piecewise differential systems

    Science.gov (United States)

    Buzzi, Claudio A.; Lima, Maurício Firmino Silva; Torregrosa, Joan

    2018-05-01

    A classical perturbation problem is the polynomial perturbation of the harmonic oscillator, (x‧ ,y‧) =(- y + εf(x , y , ε) , x + εg(x , y , ε)) . In this paper we study the limit cycles that bifurcate from the period annulus via piecewise polynomial perturbations in two zones separated by a straight line. We prove that, for polynomial perturbations of degree n , no more than Nn - 1 limit cycles appear up to a study of order N. We also show that this upper bound is reached for orders one and two. Moreover, we study this problem in some classes of piecewise Liénard differential systems providing better upper bounds for higher order perturbation in ε, showing also when they are reached. The Poincaré-Pontryagin-Melnikov theory is the main technique used to prove all the results.

  9. Higher Order Thinking in the Australian Army Suite of Logistic Officer Courses

    National Research Council Canada - National Science Library

    Bradford, Scott R

    2006-01-01

    .... The current Suite of Logistic Officer Courses (SOLOC) has been recently criticized for failing to meet this requirement, with the general perception that there is a distinct lack of higher-order thinking competencies within this continuum...

  10. Carrier relaxation in (In,Ga)As quantum dots with magnetic field-induced anharmonic level structure

    Energy Technology Data Exchange (ETDEWEB)

    Kurtze, H.; Bayer, M. [Experimentelle Physik 2, TU Dortmund, D-44221 Dortmund (Germany)

    2016-07-04

    Sophisticated models have been worked out to explain the fast relaxation of carriers into quantum dot ground states after non-resonant excitation, overcoming the originally proposed phonon bottleneck. We apply a magnetic field along the quantum dot heterostructure growth direction to transform the confined level structure, which can be approximated by a Fock–Darwin spectrum, from a nearly equidistant level spacing at zero field to strong anharmonicity in finite fields. This changeover leaves the ground state carrier population rise time unchanged suggesting that fast relaxation is maintained upon considerable changes of the level spacing. This corroborates recent models explaining the relaxation by polaron formation in combination with quantum kinetic effects.

  11. A higher-order numerical framework for stochastic simulation of chemical reaction systems.

    KAUST Repository

    Székely, Tamás

    2012-07-15

    BACKGROUND: In this paper, we present a framework for improving the accuracy of fixed-step methods for Monte Carlo simulation of discrete stochastic chemical kinetics. Stochasticity is ubiquitous in many areas of cell biology, for example in gene regulation, biochemical cascades and cell-cell interaction. However most discrete stochastic simulation techniques are slow. We apply Richardson extrapolation to the moments of three fixed-step methods, the Euler, midpoint and θ-trapezoidal τ-leap methods, to demonstrate the power of stochastic extrapolation. The extrapolation framework can increase the order of convergence of any fixed-step discrete stochastic solver and is very easy to implement; the only condition for its use is knowledge of the appropriate terms of the global error expansion of the solver in terms of its stepsize. In practical terms, a higher-order method with a larger stepsize can achieve the same level of accuracy as a lower-order method with a smaller one, potentially reducing the computational time of the system. RESULTS: By obtaining a global error expansion for a general weak first-order method, we prove that extrapolation can increase the weak order of convergence for the moments of the Euler and the midpoint τ-leap methods, from one to two. This is supported by numerical simulations of several chemical systems of biological importance using the Euler, midpoint and θ-trapezoidal τ-leap methods. In almost all cases, extrapolation results in an improvement of accuracy. As in the case of ordinary and stochastic differential equations, extrapolation can be repeated to obtain even higher-order approximations. CONCLUSIONS: Extrapolation is a general framework for increasing the order of accuracy of any fixed-step stochastic solver. This enables the simulation of complicated systems in less time, allowing for more realistic biochemical problems to be solved.

  12. Growth of meromorphic solutions of higher-order linear differential equations

    Directory of Open Access Journals (Sweden)

    Wenjuan Chen

    2009-01-01

    Full Text Available In this paper, we investigate the higher-order linear differential equations with meromorphic coefficients. We improve and extend a result of M.S. Liu and C.L. Yuan, by using the estimates for the logarithmic derivative of a transcendental meromorphic function due to Gundersen, and the extended Winman-Valiron theory which proved by J. Wang and H.X. Yi. In addition, we also consider the nonhomogeneous linear differential equations.

  13. Higher order temporal finite element methods through mixed formalisms.

    Science.gov (United States)

    Kim, Jinkyu

    2014-01-01

    The extended framework of Hamilton's principle and the mixed convolved action principle provide new rigorous weak variational formalism for a broad range of initial boundary value problems in mathematical physics and mechanics. In this paper, their potential when adopting temporally higher order approximations is investigated. The classical single-degree-of-freedom dynamical systems are primarily considered to validate and to investigate the performance of the numerical algorithms developed from both formulations. For the undamped system, all the algorithms are symplectic and unconditionally stable with respect to the time step. For the damped system, they are shown to be accurate with good convergence characteristics.

  14. Higher-order processes in x-ray photoionization of atoms

    International Nuclear Information System (INIS)

    Kanter, E. P.; Dunford, R. W.; Krassig, B.; Southworth, S. H.; Young, L.

    2006-01-01

    There are several fourth-generation X-ray light source projects now underway around the world and it is anticipated that by the end of the decade, one or more of these X-ray free-electron lasers will be operational. In this contribution, we describe recent measurements and future plans to study both multielectron and multiphoton atomic photoionization. Although such higher-order processes are rare with present third-generation sources, they will be commonplace in experimental work with the new sources. The topics we discuss here are double K-shell ionization and two-photon X-ray photoionization

  15. A Frank mixture copula family for modeling higher-order correlations of neural spike counts

    International Nuclear Information System (INIS)

    Onken, Arno; Obermayer, Klaus

    2009-01-01

    In order to evaluate the importance of higher-order correlations in neural spike count codes, flexible statistical models of dependent multivariate spike counts are required. Copula families, parametric multivariate distributions that represent dependencies, can be applied to construct such models. We introduce the Frank mixture family as a new copula family that has separate parameters for all pairwise and higher-order correlations. In contrast to the Farlie-Gumbel-Morgenstern copula family that shares this property, the Frank mixture copula can model strong correlations. We apply spike count models based on the Frank mixture copula to data generated by a network of leaky integrate-and-fire neurons and compare the goodness of fit to distributions based on the Farlie-Gumbel-Morgenstern family. Finally, we evaluate the importance of using proper single neuron spike count distributions on the Shannon information. We find notable deviations in the entropy that increase with decreasing firing rates. Moreover, we find that the Frank mixture family increases the log likelihood of the fit significantly compared to the Farlie-Gumbel-Morgenstern family. This shows that the Frank mixture copula is a useful tool to assess the importance of higher-order correlations in spike count codes.

  16. Minimization of heat slab nodes with higher order boundary conditions

    International Nuclear Information System (INIS)

    Solbrig, C.W.

    1992-01-01

    The accuracy of a numerical solution can be limited by the numerical approximation to the boundary conditions rather than the accuracy of the equations which describe the interior. The study presented in this paper compares the results from two different numerical formulations of the convective boundary condition on the face of a heat transfer slab. The standard representation of the boundary condition in a test problem yielded an unacceptable error even when the heat transfer slab was partitioned into over 300 nodes. A higher order boundary condition representation was obtained by using a second order approximation for the first derivative at the boundary and combining it with the general equation used for inner nodes. This latter formulation produced reasonable results when as few as ten nodes were used

  17. Generation of higher-order squeezing of quantum electromagnetic fields by degenerate four-wave mixing and other processes

    International Nuclear Information System (INIS)

    Li Xizeng; Shan Ying; Mandel, L.

    1988-11-01

    It is found that the field of the combined mode of the probe wave and the phase-conjugate wave in the process of degenerate four-wave mixing exhibits higher-order squeezing to all even order. The degree of squeezing increases with the order N, and the higher-order squeeze parameter q N may approach -1. (author). 3 refs, 2 figs

  18. Higher-order multipole amplitude measurement in psi ' -> gamma chi(c2)

    NARCIS (Netherlands)

    Ablikim, M.; Achasov, M. N.; Alberto, D.; An, F. F.; An, Q.; An, Z. H.; Bai, J. Z.; Baldini, R.; Ban, Y.; Becker, J.; Berger, N.; Bertani, M.; Bian, J. M.; Boger, E.; Bondarenko, O.; Boyko, I.; Briere, R. A.; Bytev, V.; Cai, X.; Calcaterra, A. C.; Cao, G. F.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, Y.; Chen, Y. B.; Cheng, H. P.; Chu, Y. P.; Cronin-Hennessy, D.; Dai, H. L.; Dai, J. P.; Dedovich, D.; Deng, Z. Y.; Denysenko, I.; Destefanis, M.; Ding, Y.; Dong, L. Y.; Dong, M. Y.; Du, S. X.; Fang, J.; Fang, S. S.; Feng, C. Q.; Fu, C. D.; Fu, J. L.; Gao, Y.; Geng, C.; Goetzen, K.; Gong, W. X.; Greco, M.; Gu, M. H.; Gu, Y. T.; Guan, Y. H.; Guo, A. Q.; Guo, L. B.; Guo, Y. P.; Han, Y. L.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, M.; He, Z. Y.; Heng, Y. K.; Hou, Z. L.; Hu, H. M.; Hu, J. F.; Hu, T.; Huang, B.; Huang, G. M.; Huang, J. S.; Huang, X. T.; Huang, Y. P.; Hussain, T.; Ji, C. S.; Ji, Q.; Ji, X. B.; Ji, X. L.; Jia, L. K.; Jiang, L. L.; Jiang, X. S.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jing, F. F.; Kalantar-Nayestanaki, N.; Kavatsyuk, M.; Kuehn, W.; Lai, W.; Lange, J. S.; Leung, J. K. C.; Li, C. H.; Li, Cheng; Li, Cui; Li, D. M.; Li, F.; Li, G.; Li, H. B.; Li, J. C.; Li, K.; Li, Lei; Li, N. B.; Li, Q. J.; Li, S. L.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, X. R.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, X. T.; Liu, B. J.; Liu, C. L.; Liu, C. X.; Liu, C. Y.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H.; Liu, H. B.; Liu, H. H.; Liu, H. M.; Liu, H. W.; Liu, J. P.; Liu, K.; Liu, K.; Liu, K. Y.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, X. H.; Liu, Y. B.; Liu, Y. W.; Liu, Yong; Liu, Z. A.; Liu, Zhiqiang; Liu, Zhiqing; Loehner, H.; Lu, G. R.; Lu, H. J.; Lu, J. G.; Lu, Q. W.; Lu, X. R.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Lv, M.; Ma, C. L.; Ma, F. C.; Ma, H. L.; Ma, Q. M.; Ma, S.; Ma, T.; Ma, X.; Ma, X. Y.; Maggiora, M.; Malik, Q. A.; Mao, H.; Mao, Y. J.; Mao, Z. P.; Messchendorp, J. G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Muchnoi, N. Yu; Nefedov, Y.; Nikolaev, I. B.; Ning, Z.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Park, J. W.; Pelizaeus, M.; Peters, K.; Ping, J. L.; Ping, R. G.; Poling, R.; Pun, C. S. J.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, X. S.; Qiu, J. F.; Rashid, K. H.; Rong, G.; Ruan, X. D.; Sarantsev, A.; Schulze, J.; Shao, M.; Shen, C. P.; Shen, X. Y.; Sheng, H. Y.; Shepherd, M. R.; Song, X. Y.; Spataro, S.; Spruck, B.; Sun, D. H.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, X. D.; Sun, Y. J.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tian, H. L.; Toth, D.; Varner, G. S.; Wang, B.; Wang, B. Q.; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, Q.; Wang, Q. J.; Wang, S. G.; Wang, X. L.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. Y.; Wei, D. H.; Wen, Q. G.; Wen, S. P.; Wiedner, U.; Wu, L. H.; Wu, N.; Wu, W.; Wu, Z.; Xiao, Z. J.; Xie, Y. G.; Xiu, Q. L.; Xu, G. F.; Xu, G. M.; Xu, H.; Xu, Q. J.; Xu, X. P.; Xu, Y.; Xu, Z. R.; Xu, Z. Z.; Xue, Z.; Yan, L.; Yan, W. B.; Yan, Y. H.; Yang, H. X.; Yang, T.; Yang, Y.; Yang, Y. X.; Ye, H.; Ye, M.; Ye, M. H.; Yu, B. X.; Yu, C. X.; Yu, S. P.; Yuan, C. Z.; Yuan, W. L.; Yuan, Y.; Zafar, A. A.; Zallo, A.; Zeng, Y.; Zhang, B. X.; Zhang, B. Y.; Zhang, C.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, L.; Zhang, S. H.; Zhang, T. R.; Zhang, X. J.; Zhang, X. Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. S.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, H. S.; Zhao, Jiawei; Zhao, Jingwei; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, X. H.; Zhao, Y. B.; Zhao, Z. G.; Zhao, Z. L.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, Y. H.; Zheng, Z. P.; Zhong, B.; Zhong, J.; Zhong, L.; Zhou, L.; Zhou, X. K.; Zhou, X. R.; Zhu, C.; Zhu, K.; Zhu, K. J.; Zhu, S. H.; Zhu, X. L.; Zhu, X. W.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Zuo, J. X.

    2011-01-01

    Using 106 x 10(6) psi' events collected with the BESIII detector at the BEPCII storage ring, the higher-order multipole amplitudes in the radiative transition psi' -> gamma chi(c2) -> gamma pi(+)pi(-)/gamma K+K- are measured. A fit to the chi(c2) production and decay angular distributions yields M2

  19. A stable higher order space time Galerkin marching-on-in-time scheme

    KAUST Repository

    Pray, Andrew J.; Shanker, Balasubramaniam; Bagci, Hakan

    2013-01-01

    We present a method for the stable solution of time-domain integral equations. The method uses a technique developed in [1] to accurately evaluate matrix elements. As opposed to existing stabilization schemes, the method presented uses higher order

  20. Exploring item and higher order factor structure with the Schmid-Leiman solution: syntax codes for SPSS and SAS.

    Science.gov (United States)

    Wolff, Hans-Georg; Preising, Katja

    2005-02-01

    To ease the interpretation of higher order factor analysis, the direct relationships between variables and higher order factors may be calculated by the Schmid-Leiman solution (SLS; Schmid & Leiman, 1957). This simple transformation of higher order factor analysis orthogonalizes first-order and higher order factors and thereby allows the interpretation of the relative impact of factor levels on variables. The Schmid-Leiman solution may also be used to facilitate theorizing and scale development. The rationale for the procedure is presented, supplemented by syntax codes for SPSS and SAS, since the transformation is not part of most statistical programs. Syntax codes may also be downloaded from www.psychonomic.org/archive/.

  1. Mixed Higher Order Variational Model for Image Recovery

    Directory of Open Access Journals (Sweden)

    Pengfei Liu

    2014-01-01

    Full Text Available A novel mixed higher order regularizer involving the first and second degree image derivatives is proposed in this paper. Using spectral decomposition, we reformulate the new regularizer as a weighted L1-L2 mixed norm of image derivatives. Due to the equivalent formulation of the proposed regularizer, an efficient fast projected gradient algorithm combined with monotone fast iterative shrinkage thresholding, called, FPG-MFISTA, is designed to solve the resulting variational image recovery problems under majorization-minimization framework. Finally, we demonstrate the effectiveness of the proposed regularization scheme by the experimental comparisons with total variation (TV scheme, nonlocal TV scheme, and current second degree methods. Specifically, the proposed approach achieves better results than related state-of-the-art methods in terms of peak signal to ratio (PSNR and restoration quality.

  2. Deformation from symmetry for Schrodinger equations of higher order on unbounded domains

    Directory of Open Access Journals (Sweden)

    Addolorata Salvatore

    2003-06-01

    Full Text Available By means of a perturbation method recently introduced by Bolle, we discuss the existence of infinitely many solutions for a class of perturbed symmetric higher order Schrodinger equations with non-homogeneous boundary data on unbounded domains.

  3. A study of anharmonic al and nonlinear behaviours of vibrations of atomic nuclei; Etude des comportements anharmonioques et non lineaires des vibrations des noyaux atomiques

    Energy Technology Data Exchange (ETDEWEB)

    Volpe, M.C. [Caen Univ., 14 (France)

    1997-12-31

    Double Giant Resonances, vibrational states in which a Giant Resonance is excited on top of another Giant Resonance, have been in the last years the object of many theories and studies. Whereas the measured energies and widths of these states agree with a theoretical predictions, the measured excitation cross sections on the other hand are almost always larger than the calculated ones. The standard theoretical approaches are based both on a harmonic approximation for the collective motion on the nucleus and on its linear response to an external field. In this work the influence of anharmonicities and non-linearities in the external field on the excitation of Double Giant Resonances are studied. First, an oscillator model and an extension of the Lipkin-Meshkow-Glick model are used to study the effects of anharmonicities and non-linearities on the excitation probabilities. The results show that these terms can influence the excitation probability of the second excited state in a significant way. Secondly, these exactly soluble schematic models are used to study some of the approximations made in microscopic calculations based on boson expansion methods and also some aspects on the time-dependent mean field approach. Finally, a microscopic calculation of the Coulomb excitation cross sections of Double Giant Resonances is presented for several nuclei. It is found that, for {sup 208} Pb, the inclusion of anharmonicities and non-linearities and the consideration of many states that play a role in the excitation process give a satisfactory agreement between calculated and observed cross sections. (author). 113 refs.

  4. Discrete Maximum Principle for Higher-Order Finite Elements in 1D

    Czech Academy of Sciences Publication Activity Database

    Vejchodský, Tomáš; Šolín, Pavel

    2007-01-01

    Roč. 76, č. 260 (2007), s. 1833-1846 ISSN 0025-5718 R&D Projects: GA ČR GP201/04/P021 Institutional research plan: CEZ:AV0Z10190503; CEZ:AV0Z20760514 Keywords : discrete maximum principle * discrete Grren´s function * higher-order elements Subject RIV: BA - General Mathematics Impact factor: 1.230, year: 2007

  5. Airy function approach and Numerov method to study the anharmonic oscillator potentials V(x) = Ax{sup 2α} + Bx{sup 2}

    Energy Technology Data Exchange (ETDEWEB)

    Al Sdran, N. [King Khalid University, Faculty of Science, Physics Department P.O. Box 9004 Abha (Saudi Arabia); Najran University, Faculty of Sciences and Arts, Najran (Saudi Arabia); Maiz, F., E-mail: fethimaiz@gmail.com [King Khalid University, Faculty of Science, Physics Department P.O. Box 9004 Abha (Saudi Arabia); Thermal Process Laboratory Research and Technologies Centre of Energy, BP 95, 2050 Hammam-lif (Tunisia)

    2016-06-15

    The numerical solutions of the time independent Schrödinger equation of different one-dimensional potentials forms are sometime achieved by the asymptotic iteration method. Its importance appears, for example, on its efficiency to describe vibrational system in quantum mechanics. In this paper, the Airy function approach and the Numerov method have been used and presented to study the oscillator anharmonic potential V(x) = Ax{sup 2α} + Bx{sup 2}, (A>0, B<0), with (α = 2) for quadratic, (α =3) for sextic and (α =4) for octic anharmonic oscillators. The Airy function approach is based on the replacement of the real potential V(x) by a piecewise-linear potential v(x), while, the Numerov method is based on the discretization of the wave function on the x-axis. The first energies levels have been calculated and the wave functions for the sextic system have been evaluated. These specific values are unlimited by the magnitude of A, B and α. It’s found that the obtained results are in good agreement with the previous results obtained by the asymptotic iteration method for α =3.

  6. Higher-order chromatin structure in DSB induction, repair and misrepair

    Czech Academy of Sciences Publication Activity Database

    Falk, Martin; Lukášová, Emilie; Kozubek, Stanislav

    2010-01-01

    Roč. 704, 1-3 (2010), s. 88-100 ISSN 1383-5742 R&D Projects: GA MŠk ME 919; GA AV ČR(CZ) IAA500040802; GA AV ČR(CZ) 1QS500040508 Grant - others:GA MŠk(CZ) LC535 Program:LC Institutional research plan: CEZ:AV0Z50040507; CEZ:AV0Z50040702 Keywords : DNA double strand breaks * DSB repair * higher-order chromatin structure Subject RIV: BO - Biophysics Impact factor: 8.741, year: 2010

  7. Power-law scaling of extreme dynamics near higher-order exceptional points

    Science.gov (United States)

    Zhong, Q.; Christodoulides, D. N.; Khajavikhan, M.; Makris, K. G.; El-Ganainy, R.

    2018-02-01

    We investigate the extreme dynamics of non-Hermitian systems near higher-order exceptional points in photonic networks constructed using the bosonic algebra method. We show that strong power oscillations for certain initial conditions can occur as a result of the peculiar eigenspace geometry and its dimensionality collapse near these singularities. By using complementary numerical and analytical approaches, we show that, in the parity-time (PT ) phase near exceptional points, the logarithm of the maximum optical power amplification scales linearly with the order of the exceptional point. We focus in our discussion on photonic systems, but we note that our results apply to other physical systems as well.

  8. Educating Grade 6 students for higher-order thinking and its influence on creativity

    Directory of Open Access Journals (Sweden)

    Wajeeh Daher

    2017-08-01

    Full Text Available Educating students for higher-order thinking provides them with tools that turn them into more critical thinkers. This supports them in overcoming life problems that they encounter, as well as becoming an integral part of the society. This students’ education is attended to by educational organisations that emphasise the positive consequences of educating students for higher-order thinking, including creative thinking. One way to do that is through educational programmes that educate for higher-order thinking. One such programme is the Cognitive Research Trust (CoRT thinking programme. The present research intended to examine the effect of the participation of Grade 6 students in a CoRT programme on their creative thinking. Fifty-three students participated in the research; 27 participated in a CoRT programme, while 26 did not participate in such programme. The ANCOVA test showed that the students who participated in the CoRT programme outperformed significantly, in creative thinking, the students who did not. Moreover, the students in the CoRT programme whose achievement scores were between 86 and 100 outperformed significantly the other achievement groups of students. Furthermore, students with reported high ability outperformed significantly the other ability groups of students. The results did not show statistically significant differences in students’ creativity attributed to gender.

  9. John Carroll’s Views on Intelligence: Bi-Factor vs. Higher-Order Models

    Directory of Open Access Journals (Sweden)

    A. Alexander Beaujean

    2015-10-01

    Full Text Available The development of factor models is inextricably tied to the history of intelligence research. One of the most commonly-cited scholars in the field is John Carroll, whose three-stratum theory of cognitive ability has been one of the most influential models of cognitive ability in the past 20 years. Nonetheless, there is disagreement about how Carroll conceptualized the factors in his model. Some argue that his model is best represented through a higher-order model, while others argue that a bi-factor model is a better representation. Carroll was explicit about what he perceived the best way to represent his model, but his writings are not always easy to understand. In this article, I clarify his position by first describing the details and implications of bi-factor and higher-order models then show that Carroll’s published views are better represented by a bi-factor model.

  10. Higher-order ice-sheet modelling accelerated by multigrid on graphics cards

    Science.gov (United States)

    Brædstrup, Christian; Egholm, David

    2013-04-01

    Higher-order ice flow modelling is a very computer intensive process owing primarily to the nonlinear influence of the horizontal stress coupling. When applied for simulating long-term glacial landscape evolution, the ice-sheet models must consider very long time series, while both high temporal and spatial resolution is needed to resolve small effects. The use of higher-order and full stokes models have therefore seen very limited usage in this field. However, recent advances in graphics card (GPU) technology for high performance computing have proven extremely efficient in accelerating many large-scale scientific computations. The general purpose GPU (GPGPU) technology is cheap, has a low power consumption and fits into a normal desktop computer. It could therefore provide a powerful tool for many glaciologists working on ice flow models. Our current research focuses on utilising the GPU as a tool in ice-sheet and glacier modelling. To this extent we have implemented the Integrated Second-Order Shallow Ice Approximation (iSOSIA) equations on the device using the finite difference method. To accelerate the computations, the GPU solver uses a non-linear Red-Black Gauss-Seidel iterator coupled with a Full Approximation Scheme (FAS) multigrid setup to further aid convergence. The GPU finite difference implementation provides the inherent parallelization that scales from hundreds to several thousands of cores on newer cards. We demonstrate the efficiency of the GPU multigrid solver using benchmark experiments.

  11. Low-order longitudinal modes of single-component plasmas

    International Nuclear Information System (INIS)

    Tinkle, M.D.; Greaves, R.G.; Surko, C.M.

    1995-01-01

    The low-order modes of spheroidal, pure electron plasmas have been studied experimentally, both in a cylindrical electrode structure and in a quadrupole trap. Comparison is made between measurements of mode frequencies, recent analytical theories, and numerical simulations. Effects considered include trap anharmonicity, image charges, and temperature. Quantitative agreement is obtained between the predictions and these measurements for spheroidal plasmas in the quadrupole trap. In many experiments on single-component plasmas, including antimatter plasmas, the standard diagnostic techniques used to measure the density and temperature are not appropriate. A new method is presented for determining the size, shape, average density, and temperature of a plasma confined in a Penning trap from measurements of the mode frequencies. copyright 1995 American Institute of Physics

  12. Neutron scattering studies on chromatin higher-order structure

    Energy Technology Data Exchange (ETDEWEB)

    Graziano, V.; Gerchman, S.E.; Schneider, D.K.; Ramakrishnan, V. [Brookhaven National Laboratory, Upton, NY (United States)

    1994-12-31

    We have been engaged in studies of the structure and condensation of chromatin into the 30nm filament using small-angle neutron scattering. We have also used deuterated histone H1 to determine its location in the chromatin 30nm filament. Our studies indicate that chromatin condenses with increasing ionic strength to a limiting structure that has a mass per unit length of 6-7 nucleosomes/11 nm. They also show that the linker histone H1/H5 is located in the interior of the chromatin filament, in a position compatible with its binding to the inner face of the nucleosome. Analysis of the mass per unit length as a function of H5 stoichiometry suggests that 5-7 contiguous nucleosomes need to have H5 bound before a stable higher order structure can exist.

  13. Neutron scattering studies on chromatin higher-order structure

    International Nuclear Information System (INIS)

    Graziano, V.; Gerchman, S.E.; Schneider, D.K.; Ramakrishnan, V.

    1994-01-01

    We have been engaged in studies of the structure and condensation of chromatin into the 30nm filament using small-angle neutron scattering. We have also used deuterated histone H1 to determine its location in the chromatin 30nm filament. Our studies indicate that chromatin condenses with increasing ionic strength to a limiting structure that has a mass per unit length of 6-7 nucleosomes/11 nm. They also show that the linker histone H1/H5 is located in the interior of the chromatin filament, in a position compatible with its binding to the inner face of the nucleosome. Analysis of the mass per unit length as a function of H5 stoichiometry suggests that 5-7 contiguous nucleosomes need to have H5 bound before a stable higher order structure can exist

  14. Tunnelling effects of solitons in optical fibers with higher-order effects

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Chao-Qing [Zhejiang A and F Univ., Lin' an (China). School of Sciences; Suzhou Univ., Jiangsu (China). School of Physical Science and Technology; Zhu, Hai-Ping [Zhejiang Lishui Univ., Zhejiang (China). School of Science; Zheng, Chun-Long [Shaoguan Univ., Guangdong (China). College of Physics and Electromechanical Engineering

    2012-06-15

    We construct four types of analytical soliton solutions for the higher-order nonlinear Schroedinger equation with distributed coefficients. These solutions include bright solitons, dark solitons, combined solitons, and M-shaped solitons. Moreover, the explicit functions which describe the evolution of the width, peak, and phase are discussed exactly. We finally discuss the nonlinear soliton tunnelling effect for four types of femtosecond solitons. (orig.)

  15. Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided?

    Science.gov (United States)

    Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L

    2015-03-05

    We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.

  16. Physical uniqueness of higher-order Korteweg-de Vries theory for continuously stratified fluids without background shear

    Science.gov (United States)

    Shimizu, Kenji

    2017-10-01

    The 2nd-order Korteweg-de Vries (KdV) equation and the Gardner (or extended KdV) equation are often used to investigate internal solitary waves, commonly observed in oceans and lakes. However, application of these KdV-type equations for continuously stratified fluids to geophysical problems is hindered by nonuniqueness of the higher-order coefficients and the associated correction functions to the wave fields. This study proposes to reduce arbitrariness of the higher-order KdV theory by considering its uniqueness in the following three physical senses: (i) consistency of the nonlinear higher-order coefficients and correction functions with the corresponding phase speeds, (ii) wavenumber-independence of the vertically integrated available potential energy, and (iii) its positive definiteness. The spectral (or generalized Fourier) approach based on vertical modes in the isopycnal coordinate is shown to enable an alternative derivation of the 2nd-order KdV equation, without encountering nonuniqueness. Comparison with previous theories shows that Parseval's theorem naturally yields a unique set of special conditions for (ii) and (iii). Hydrostatic fully nonlinear solutions, derived by combining the spectral approach and simple-wave analysis, reveal that both proposed and previous 2nd-order theories satisfy (i), provided that consistent definitions are used for the wave amplitude and the nonlinear correction. This condition reduces the arbitrariness when higher-order KdV-type theories are compared with observations or numerical simulations. The coefficients and correction functions that satisfy (i)-(iii) are given by explicit formulae to 2nd order and by algebraic recurrence relationships to arbitrary order for hydrostatic fully nonlinear and linear fully nonhydrostatic effects.

  17. Controlled generation of higher-order Poincaré sphere beams from a laser

    CSIR Research Space (South Africa)

    Naidoo, Darryl

    2016-03-01

    Full Text Available . 10: 327-332 Controlled generation of higher-order Poincaré sphere beams from a laser Naidoo D Roux FS Dudley A Litvin I Piccirillo B Marrucci L Forbes A ABSTRACT: The angular momentum of light can be described by positions on a...

  18. Method of applying single higher order polynomial basis function over multiple domains

    CSIR Research Space (South Africa)

    Lysko, AA

    2010-03-01

    Full Text Available A novel method has been devised where one set of higher order polynomial-based basis functions can be applied over several wire segments, thus permitting to decouple the number of unknowns from the number of segments, and so from the geometrical...

  19. Higher order hierarchical discretization scheme for surface integral equations for layered media

    DEFF Research Database (Denmark)

    Jørgensen, Erik; Kim, Oleksiy S.; Meincke, Peter

    2004-01-01

    This paper presents an efficient technique for the analysis of electromagnetic scattering by arbitrarily shaped perfectly conducting objects in layered media. The technique is based on a higher order method of moments (MoM) solution of the electric field, magnetic field, or combined-field integra...

  20. A numerical study of the second-order wave excitation of ship springing by a higher-order boundary element method

    Directory of Open Access Journals (Sweden)

    Shao Yan-Lin

    2014-12-01

    Full Text Available This paper presents some of the efforts by the authors towards numerical prediction of springing of ships. A time-domain Higher Order Boundary Element Method (HOBEM based on cubic shape function is first presented to solve a complete second-order problem in terms of wave steepness and ship motions in a consistent manner. In order to avoid high order derivatives on the body surfaces, e.g. mj-terms, a new formulation of the Boundary Value Problem in a body-fixed coordinate system has been proposed instead of traditional formulation in inertial coordinate system. The local steady flow effects on the unsteady waves are taken into account. Double-body flow is used as the basis flow which is an appropriate approximation for ships with moderate forward speed. This numerical model was used to estimate the complete second order wave excitation of springing of a displacement ship at constant forward speeds.