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Sample records for higher correlations calculated

  1. Correlated ab initio calculations of spectroscopic parameters of SnO within the framework of the higher-order generalized Douglas-Kroll transformation.

    Science.gov (United States)

    Wolf, Alexander; Reiher, Markus; Hess, Bernd Artur

    2004-05-08

    The first molecular calculations with the generalized Douglas-Kroll method up to fifth order in the external potential (DKH5) are presented. We study the spectroscopic parameters and electron affinity of the tin oxide molecule SnO and its anion SnO(-) applying nonrelativistic as well as relativistic calculations with higher orders of the DK approximation. In order to guarantee highly accurate results close to the basis set limit, an all-electron basis for Sn of at least quintuple-zeta quality has been constructed and optimized. All-electron CCSD(T) calculations of the potential energy curves of both SnO and SnO(-) reproduce the experimental values very well. Relative energies and valence properties are already well described with the established standard second-order approximation DKH2 and the higher-order corrections DKH3-DKH5 hardly affect these quantities. However, an accurate description of total energies and inner-shell properties requires superior relativistic schemes up to DKH5. (c) 2004 American Institute of Physics.

  2. 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.)

  3. 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

  4. 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)

  5. Higher point spin field correlators in D=4 superstring theory

    International Nuclear Information System (INIS)

    Haertl, D.; Schlotterer, O.; Stieberger, S.

    2010-01-01

    Calculational tools are provided allowing to determine general tree-level scattering amplitudes for processes involving bosons and fermions in heterotic and superstring theories in four space-time dimensions. We compute higher-point superstring correlators involving massless four-dimensional fermionic and spin fields. In D=4 these correlators boil down to a product of two pure spin field correlators of left- and right-handed spin fields. This observation greatly simplifies the computation of such correlators. The latter are basic ingredients to compute multi-fermion superstring amplitudes in D=4. Their underlying fermionic structure and the fermionic couplings in the effective action are determined by these correlators.

  6. Higher-twist correlations in polarized hadrons

    International Nuclear Information System (INIS)

    Tangerman, R.D.

    1996-01-01

    In this thesis we studied the response of polarized hadrons to several high-energy probes, working in the framework of the field theoretic model. Emphasis is laid upon higher-twist effects such as quark transverse momentum. The inclusive DIS process is very well suited to study QCD. From general principles we were able to derive four positivity constraints on the structure functions without invoking the helicity formalism. The on-shell quark model is used to illustrate these constraints. Subseqeuently, we concentrated on the higher-twist structure function g 2 (x,Q 2 ). (orig./HSI)

  7. ppcor: An R Package for a Fast Calculation to Semi-partial Correlation Coefficients.

    Science.gov (United States)

    Kim, Seongho

    2015-11-01

    Lack of a general matrix formula hampers implementation of the semi-partial correlation, also known as part correlation, to the higher-order coefficient. This is because the higher-order semi-partial correlation calculation using a recursive formula requires an enormous number of recursive calculations to obtain the correlation coefficients. To resolve this difficulty, we derive a general matrix formula of the semi-partial correlation for fast computation. The semi-partial correlations are then implemented on an R package ppcor along with the partial correlation. Owing to the general matrix formulas, users can readily calculate the coefficients of both partial and semi-partial correlations without computational burden. The package ppcor further provides users with the level of the statistical significance with its test statistic.

  8. Calculations of higher twist distribution functions in the MIT bag model

    International Nuclear Information System (INIS)

    Signal, A.I.

    1997-01-01

    We calculate all twist-2, -3 and -4 parton distribution functions involving two quark correlations using the wave function of the MIT bag model. The distributions are evolved up to experimental scales and combined to give the various nucleon structure functions. Comparisons with recent experimental data on higher twist structure functions at moderate values of Q 2 give good agreement with the calculated structure functions. (orig.)

  9. Audit calculation and comments on a new CHF correlation

    Energy Technology Data Exchange (ETDEWEB)

    Auh, Geun Sun [Korea Institute of Nuclear Safety, Daejon (Korea, Republic of); Hwang, Dae Hyun [Korea Atomic Energy Research Institute, Daejon (Korea, Republic of)

    2008-10-15

    An audit calculation was conducted for a local parameter CHF correlation which was intended for the thermal hydraulic design calculations of a new type of fuel assembly, named 17x17 type ACE7. The proposed empirical correlation calculates the CHF as a function of local conditions in a rod bundle which were evaluated by the subchannel analysis code THINC. The CHF data base for this correlation consisted of 4 test bundles with a total of 295 data points. Independent audit calculation was performed in order to substantiate the analyses results for the proposed correlation. Total 295 calculations were performed with a subchannel code MATRA and the results were compared with the results of THINC calculations. A new feature of the proposed correlation is a correction factor for axially non uniform power shapes. The proposed correction factor model contends a decrease of upstream memory effect with a decrease of the grid spacing. The physical background as well as the CHF data base supporting the magnitude of the correction factor was closely investigated. From the results of the investigation, the applicability limitations such as 3.5% penalty factor on the DNBR and 17x17 type ACE7 fuel assembly application only were self imposed on the proposed correlation.

  10. Development of nuclear models for higher energy calculations

    International Nuclear Information System (INIS)

    Bozoian, M.; Siciliano, E.R.; Smith, R.D.

    1988-01-01

    Two nuclear models for higher energy calculations have been developed in the regions of high and low energy transfer, respectively. In the former, a relativistic hybrid-type preequilibrium model is compared with data ranging from 60 to 800 MeV. Also, the GNASH exciton preequilibrium-model code with higher energy improvements is compared with data at 200 and 318 MeV. In the region of low energy transfer, nucleon-nucleus scattering is predominately a direct reaction involving quasi-elastic collisions with one or more target nucleons. We discuss various aspects of quasi-elastic scattering which are important in understanding features of cross sections and spin observables. These include (1) contributions from multi-step processes; (2) damping of the continuum response from 2p-2h excitations; (3) the ''optimal'' choice of frame in which to evaluate the nucleon-nucleon amplitudes; and (4) the effect of optical and spin-orbit distortions, which are included in a model based on the RPA the DWIA and the eikonal approximation. 33 refs., 15 figs

  11. Higher order energy transfer. Quantum electrodynamical calculations and graphical representation

    International Nuclear Information System (INIS)

    Jenkins, R.D.

    2000-01-01

    In Chapter 1, a novel method of calculating quantum electrodynamic amplitudes is formulated using combinatorial theory. This technique is used throughout instead of conventional time-ordered methods. A variety of hyperspaces are discussed to highlight isomorphism between a number of A generalisation of Pascal's triangle is shown to be beneficial in determining the form of hyperspace graphs. Chapter 2 describes laser assisted resonance energy transfer (LARET), a higher order perturbative contribution to the well-known process resonance energy transfer, accommodating an off resonance auxiliary laser field to stimulate the migration. Interest focuses on energy exchanges between two uncorrelated molecular species, as in a system where molecules are randomly oriented. Both phase-weighted and standard isotropic averaging are required for the calculations. Results are discussed in terms of a laser intensity-dependent mechanism. Identifying the applied field regime where LARET should prove experimentally significant, transfer rate increases of up to 30% are predicted. General results for three-center energy transfer are elucidated in chapter 3. Cooperative and accretive mechanistic pathways are identified with theory formulated to elicit their role in a variety of energy transfer phenomena and their relative dominance. In multichromophoric the interplay of such factors is analysed with regard to molecular architectures. The alignments and magnitudes of donor and acceptor transition moments and polarisabilities prove to have profound effects on achievable pooling efficiency for linear configurations. Also optimum configurations are offered. In ionic lattices, although both mechanisms play significant roles in pooling and cutting processes, only the accretive is responsible for sensitisation. The local, microscopic level results are used to gauge the lattice response, encompassing concentration and structural effects. (author)

  12. A shell-model calculation in terms of correlated subsystems

    International Nuclear Information System (INIS)

    Boisson, J.P.; Silvestre-Brac, B.

    1979-01-01

    A method for solving the shell-model equations in terms of a basis which includes correlated subsystems is presented. It is shown that the method allows drastic truncations of the basis to be made. The corresponding calculations are easy to perform and can be carried out rapidly

  13. Calculation of correlation between spins in a magnetic substance; Calcul des correlations entre spins dans une substance magnetique

    Energy Technology Data Exchange (ETDEWEB)

    Gennes, P.G. de [Commissariat a l' Energie Atomique, Saclay (France)

    1959-07-01

    The report states an elementary calculation of the correlation between spins in a magnetic substance, and particularly of their asymptotic form with regard to relatively wide-spaced spins. This permits the determination of the phenomenological parameters introduced by Var Hove to describe the magnetic scatter of neutrons in the critical opalescent area. (author) [French] On donne un calcul elementaire des correlations entre spins dans une substance magnetique, et notamment de leur forme asymptotique pour des spins assez eloignes. Ceci permet de determiner les parametres phenomenologiques introduits par Van Hove pour decrire la diffusion magnetique des neutrons dans la region d'opalescence critique. (auteur)

  14. Correlation expansion: a powerful alternative multiple scattering calculation method

    International Nuclear Information System (INIS)

    Zhao Haifeng; Wu Ziyu; Sebilleau, Didier

    2008-01-01

    We introduce a powerful alternative expansion method to perform multiple scattering calculations. In contrast to standard MS series expansion, where the scattering contributions are grouped in terms of scattering order and may diverge in the low energy region, this expansion, called correlation expansion, partitions the scattering process into contributions from different small atom groups and converges at all energies. It converges faster than MS series expansion when the latter is convergent. Furthermore, it takes less memory than the full MS method so it can be used in the near edge region without any divergence problem, even for large clusters. The correlation expansion framework we derive here is very general and can serve to calculate all the elements of the scattering path operator matrix. Photoelectron diffraction calculations in a cluster containing 23 atoms are presented to test the method and compare it to full MS and standard MS series expansion

  15. Higher order methods for burnup calculations with Bateman solutions

    International Nuclear Information System (INIS)

    Isotalo, A.E.; Aarnio, P.A.

    2011-01-01

    Highlights: → Average microscopic reaction rates need to be estimated at each step. → Traditional predictor-corrector methods use zeroth and first order predictions. → Increasing predictor order greatly improves results. → Increasing corrector order does not improve results. - Abstract: A group of methods for burnup calculations solves the changes in material compositions by evaluating an explicit solution to the Bateman equations with constant microscopic reaction rates. This requires predicting representative averages for the one-group cross-sections and flux during each step, which is usually done using zeroth and first order predictions for their time development in a predictor-corrector calculation. In this paper we present the results of using linear, rather than constant, extrapolation on the predictor and quadratic, rather than linear, interpolation on the corrector. Both of these are done by using data from the previous step, and thus do not affect the stepwise running time. The methods were tested by implementing them into the reactor physics code Serpent and comparing the results from four test cases to accurate reference results obtained with very short steps. Linear extrapolation greatly improved results for thermal spectra and should be preferred over the constant one currently used in all Bateman solution based burnup calculations. The effects of using quadratic interpolation on the corrector were, on the other hand, predominantly negative, although not enough so to conclusively decide between the linear and quadratic variants.

  16. Higher genus correlators for the complex matrix model

    International Nuclear Information System (INIS)

    Ambjorn, J.; Kristhansen, C.F.; Makeenko, Y.M.

    1992-01-01

    In this paper, the authors describe an iterative scheme which allows us to calculate any multi-loop correlator for the complex matrix model to any genus using only the first in the chain of loop equations. The method works for a completely general potential and the results contain no explicit reference to the couplings. The genus g contribution to the m-loop correlator depends on a finite number of parameters, namely at most 4g - 2 + m. The authors find the generating functional explicitly up to genus three. The authors show as well that the model is equivalent to an external field problem for the complex matrix model with a logarithmic potential

  17. Improvement of correlated sampling Monte Carlo methods for reactivity calculations

    International Nuclear Information System (INIS)

    Nakagawa, Masayuki; Asaoka, Takumi

    1978-01-01

    Two correlated Monte Carlo methods, the similar flight path and the identical flight path methods, have been improved to evaluate up to the second order change of the reactivity perturbation. Secondary fission neutrons produced by neutrons having passed through perturbed regions in both unperturbed and perturbed systems are followed in a way to have a strong correlation between secondary neutrons in both the systems. These techniques are incorporated into the general purpose Monte Carlo code MORSE, so as to be able to estimate also the statistical error of the calculated reactivity change. The control rod worths measured in the FCA V-3 assembly are analyzed with the present techniques, which are shown to predict the measured values within the standard deviations. The identical flight path method has revealed itself more useful than the similar flight path method for the analysis of the control rod worth. (auth.)

  18. Intergenerational Correlation in Monte Carlo k-Eigenvalue Calculation

    International Nuclear Information System (INIS)

    Ueki, Taro

    2002-01-01

    This paper investigates intergenerational correlation in the Monte Carlo k-eigenvalue calculation of a neutron effective multiplicative factor. To this end, the exponential transform for path stretching has been applied to large fissionable media with localized highly multiplying regions because in such media an exponentially decaying shape is a rough representation of the importance of source particles. The numerical results show that the difference between real and apparent variances virtually vanishes for an appropriate value of the exponential transform parameter. This indicates that the intergenerational correlation of k-eigenvalue samples could be eliminated by the adjoint biasing of particle transport. The relation between the biasing of particle transport and the intergenerational correlation is therefore investigated in the framework of collision estimators, and the following conclusion has been obtained: Within the leading order approximation with respect to the number of histories per generation, the intergenerational correlation vanishes when immediate importance is constant, and the immediate importance under simulation can be made constant by the biasing of particle transport with a function adjoint to the source neutron's distribution, i.e., the importance over all future generations

  19. Estimation of uncertainties from missing higher orders in perturbative calculations

    International Nuclear Information System (INIS)

    Bagnaschi, E.

    2015-05-01

    In this proceeding we present the results of our recent study (hep-ph/1409.5036) of the statistical performances of two different approaches, Scale Variation (SV) and the Bayesian model of Cacciari and Houdeau (CH)(hep-ph/1105.5152) (which we also extend to observables with initial state hadrons), to the estimation of Missing Higher-Order Uncertainties (MHOUs)(hep-ph/1307.1843) in perturbation theory. The behavior of the models is determined by analyzing, on a wide set of observables, how the MHOU intervals they produce are successful in predicting the next orders. We observe that the Bayesian model behaves consistently, producing intervals at 68% Degree of Belief (DoB) comparable with the scale variation intervals with a rescaling factor r larger than 2 and closer to 4. Concerning SV, our analysis allows the derivation of a heuristic Confidence Level (CL) for the intervals. We find that assigning a CL of 68% to the intervals obtained with the conventional choice of varying the scales within a factor of two with respect to the central scale could potentially lead to an underestimation of the uncertainties in the case of observables with initial state hadrons.

  20. 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.)

  1. Thermal conductivity calculation of nano-suspensions using Green–Kubo relations with reduced artificial correlations

    International Nuclear Information System (INIS)

    Muraleedharan, Murali Gopal; Yang, Vigor; Sundaram, Dilip Srinivas; Henry, Asegun

    2017-01-01

    The presence of artificial correlations associated with Green–Kubo (GK) thermal conductivity calculations is investigated. The thermal conductivity of nano-suspensions is calculated by equilibrium molecular dynamics (EMD) simulations using GK relations. Calculations are first performed for a single alumina (Al 2 O 3 ) nanoparticle dispersed in a water medium. For a particle size of 1 nm and volume fraction of 9%, results show enhancements as high as 235%, which is much higher than the Maxwell model predictions. When calculations are done with multiple suspended particles, no such anomalous enhancement is observed. This is because the vibrations in alumina crystal can act as low frequency perturbations, which can travel long distances through the surrounding water medium, characterized by higher vibration frequencies. As a result of the periodic boundaries, they re-enter the system resulting in a circular resonance of thermal fluctuations between the alumina particle and its own image, eventually leading to artificial correlations in the heat current autocorrelation function (HCACF), which when integrated yields abnormally high thermal conductivities. Adding more particles presents ‘obstacles’ with which the fluctuations interact and get dissipated, before they get fed back to the periodic image. A systematic study of the temporal evolution of HCACF indicates that the magnitude and oscillations of artificial correlations decrease substantially with increase in the number of suspended nanoparticles. (paper)

  2. Communication: importance sampling including path correlation in semiclassical initial value representation calculations for time correlation functions.

    Science.gov (United States)

    Pan, Feng; Tao, Guohua

    2013-03-07

    Full semiclassical (SC) initial value representation (IVR) for time correlation functions involves a double phase space average over a set of two phase points, each of which evolves along a classical path. Conventionally, the two initial phase points are sampled independently for all degrees of freedom (DOF) in the Monte Carlo procedure. Here, we present an efficient importance sampling scheme by including the path correlation between the two initial phase points for the bath DOF, which greatly improves the performance of the SC-IVR calculations for large molecular systems. Satisfactory convergence in the study of quantum coherence in vibrational relaxation has been achieved for a benchmark system-bath model with up to 21 DOF.

  3. Inner-shell correlations and Sturm expansions in coupled perturbation calculations of atomic systems

    International Nuclear Information System (INIS)

    Sherstyuk, A.I.; Solov'eva, G.S.

    1995-01-01

    It is shown that virtual Hartree-Fock orbitals in Sturm-type expansions can be used to calculate the response of atomic systems to an external field within the framework of the coupled perturbation theory with allowance for correlation effects. The corrected electron-electron interaction in a system with field-distorted orbitals is considered by adding a nonlocal potential to a one-electron Hartree-Fock operator within each group of equivalent elections. The remaining correlation effects are calculated by solving a system of equations for corrections to the radial functions. The system is solved iteratively, with each subsequent iteration corresponding to a correction of an increasingly higher order in the electron--electron interaction. The explicit expression derived for the polarizability contains one-and two-particle radial integrals of the Sturm functions

  4. Higher genus correlators from the hermitian one-matrix model

    International Nuclear Information System (INIS)

    Ambjoern, J.; Chekhov, L.; Makeenko, Yu.

    1992-01-01

    We develop an iterative algorithm for the genus expansion of the hermitian NxN one-matrix model (is the Penner model in an external field). By introducing moments of the external field, we prove that the genus g contribution to the m-loop correlator depends only on 3g-2+m lower moments (3g-2 for the partition function). We present the explicit results for the partition function and the one-loop correlator in genus one. We compare the correlators for the hermitian one-matrix model with those at zero momenta for c=1 CFT and show an agreement of the one-loop correlators for genus zero. (orig.)

  5. Machine learning using a higher order correlation network

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.C.; Doolen, G.; Chen, H.H.; Sun, G.Z.; Maxwell, T.; Lee, H.Y.

    1986-01-01

    A high-order correlation tensor formalism for neural networks is described. The model can simulate auto associative, heteroassociative, as well as multiassociative memory. For the autoassociative model, simulation results show a drastic increase in the memory capacity and speed over that of the standard Hopfield-like correlation matrix methods. The possibility of using multiassociative memory for a learning universal inference network is also discussed. 9 refs., 5 figs.

  6. 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

  7. 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.

  8. Microscopic calculations of nuclear structure and nuclear correlations

    International Nuclear Information System (INIS)

    Wiringa, R.B.

    1992-01-01

    A major goal in nuclear physics is to understand how nuclear structure comes about from the underlying interactions between nucleons. This requires modelling nuclei as collections of strongly interacting particles. Using realistic nucleon-nucleon potentials, supplemented with consistent three-nucleon potentials and two-body electroweak current operators, variational Monte Carlo methods are used to calculate nuclear ground-state properties, such as the binding energy, electromagnetic form factors, and momentum distributions. Other properties such as excited states and low-energy reactions are also calculable with these methods

  9. Improvements to the nuclear model code GNASH for cross section calculations at higher energies

    International Nuclear Information System (INIS)

    Young, P.G.; Chadwick, M.B.

    1994-01-01

    The nuclear model code GNASH, which in the past has been used predominantly for incident particle energies below 20 MeV, has been modified extensively for calculations at higher energies. The model extensions and improvements are described in this paper, and their significance is illustrated by comparing calculations with experimental data for incident energies up to 160 MeV

  10. Correlation between Cholesterol, Triglycerides, Calculated, and Measured Lipoproteins: Whether Calculated Small Density Lipoprotein Fraction Predicts Cardiovascular Risks

    Directory of Open Access Journals (Sweden)

    Sikandar Hayat Khan

    2017-01-01

    Full Text Available Background. Recent literature in lipidology has identified LDL-fractions to be more atherogenic. In this regard, small density LDL-cholesterol (sdLDLc has been considered to possess more atherogenicity than other LDL-fractions like large buoyant LDL-cholesterol (lbLDLc. Recently, Srisawasdi et al. have developed a method for calculating sdLDLc and lbLDLc based upon a regression equation. Using that in developing world may provide us with a valuable tool for ASCVD risk prediction. Objective. (1 To correlate directly measured and calculated lipid indices with insulin resistance, UACR, glycated hemoglobin, anthropometric indices, and blood pressure. (2 To evaluate these lipid parameters in subjects with or without metabolic syndrome, nephropathy, and hypertension and among various groups based upon glycated hemoglobin results. Design. Cross-sectional study. Place and Duration of Study. From Jan 2016 to 15 April 2017. Subjects and Methods. Finally enrolled subjects (male: 110, female: 122 were evaluated for differences in various lipid parameters, including measured LDL-cholesterol (mLDLc, HDLc and calculated LDL-cholesterol (cLDLc, non-HDLc, sdLDLC, lbLDLC, and their ratio among subjects with or without metabolic syndrome, nephropathy, glycation index, anthropometric indices, and hypertension. Results. Significant but weak correlation was mainly observed between anthropometric indices, insulin resistance, blood pressure, and nephropathy for non-HDLc, sdLDLc, and sdLDLc/lbLDLc. Generally lipid indices were higher among subjects with metabolic syndrome [{sdLDLc: 0.92 + 0.33 versus 0.70 + 0.29 (p 7.0%. Subjects having nephropathy (UACR > 2.4 mg/g had higher concentration of non-HDLc levels in comparison to sdLDLc [{non-HDLc: 3.68 + 0.59 versus 3.36 + 0.43} (p=0.007, {sdLDLc: 0.83 + 0.27 versus 0.75 + 0.35 (p=NS}]. Conclusion. Lipid markers including cLDLc and mLDLc are less associated with traditional ASCVD markers than non-HDLc, sdLDLc, and sd

  11. Quark model calculations of current correlators in the nonperturbative domain

    International Nuclear Information System (INIS)

    Celenza, L.S.; Shakin, C.M.; Sun, W.D.

    1995-01-01

    The authors study the vector-isovector current correlator in this work, making use of a generalized Nambu-Jona-Lasinio (NJL) model. In their work, the original NJL model is extended to describe the coupling of the quark-antiquark states to the two-pion continuum. Further, a model for confinement is introduced that is seen to remove the nonphysical cuts that appear in various amplitudes when the quark and antiquark go on mass shell. Quite satisfactory results are obtained for the correlator. The authors also use the correlator to define a T-matrix for confined quarks and discuss a rho-dominance model for that T-matrix. It is also seen that the Bethe-Salpeter equation that determines the rho mass (in the absence of the coupling to the two-pion continuum) has more satisfactory behavior in the generalized model than in the model without confinement. That improved behavior is here related to the absence of the q bar q cut in the basic quark-loop integral of the generalized model. In this model, it is seen how one may work with both quark and hadron degrees of freedom, with only the hadrons appearing as physical particles. 12 refs., 16 figs., 1 tab

  12. Modification of booming level for higher correlation with booming sensation; Booming level no koseidoka

    Energy Technology Data Exchange (ETDEWEB)

    Hatano, S; Hashimoto, T [Seikei University, Tokyo (Japan)

    1997-10-01

    In our previous study, we proposed a objective measure, i.e., Booming Level for quantifying booming sensation caused by car interior noise. In this paper, Booming Level was modified with its weighting function and within the process of calculation 1/3 octave band level was modified for the best match with subjective result. These modifications were conducted through a subjective experiment rating booming sensation with sounds having much lower frequency contents below 63Hz. With this modified Booming Level, we have obtained higher correlation for rating booming sensation with sounds having prominent low frequency components. 1 ref., 10 figs.

  13. Analysis of the influences of thermal correlations on neutronic–thermohydraulic coupling calculation of SCWR

    International Nuclear Information System (INIS)

    Xu, Weifeng; Cai, Jiejin; Liu, Shichang; Tang, Qi

    2015-01-01

    Highlights: • Different thermal correlations for supercritical water are summarized. • Influences of thermal correlations on neutronic–thermohydraulic coupling calculation are analyzed. • Sensitivity analysis has been done for the thermal correlations. - Abstract: The neutronic–thermohydraulic coupling (N–T coupling) calculation is important on core design, security and stability analysis of supercritical water-coolant reactor (SCWR), and a suitable thermal correlation is also necessary for the N–T coupling calculation. In this paper, the scheme of the U.S. SCWR design and the process of the N–T coupling will be introduced as well as some of different thermal correlations firstly. Then, based on the N–T coupling system ARNT, the U.S. SCWR design is simulated to analyze the influences of thermal correlations on N–T coupling calculation of SCWR so as to find out which correlation is best. The result shows that all thermal correlations are suitable. However, using different correlations for calculation leads to a great difference in safety margin of SCWR. What's more, the Bishop and Jackson correlations are more suitable and conservative, but the Griem correlation is not very precise. And the effect of buoyancy lift makes little influence on the calculation of heat transfer of SCWR. This research is also of great significance for the further study of N–T coupling of SCWR

  14. Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties

    International Nuclear Information System (INIS)

    Woon, D.E.; Dunning, T.H. Jr.

    1994-01-01

    An accurate description of the electrical properties of atoms and molecules is critical for quantitative predictions of the nonlinear properties of molecules and of long-range atomic and molecular interactions between both neutral and charged species. We report a systematic study of the basis sets required to obtain accurate correlated values for the static dipole (α 1 ), quadrupole (α 2 ), and octopole (α 3 ) polarizabilities and the hyperpolarizability (γ) of the rare gas atoms He, Ne, and Ar. Several methods of correlation treatment were examined, including various orders of Moller--Plesset perturbation theory (MP2, MP3, MP4), coupled-cluster theory with and without perturbative treatment of triple excitations [CCSD, CCSD(T)], and singles and doubles configuration interaction (CISD). All of the basis sets considered here were constructed by adding even-tempered sets of diffuse functions to the correlation consistent basis sets of Dunning and co-workers. With multiply-augmented sets we find that the electrical properties of the rare gas atoms converge smoothly to values that are in excellent agreement with the available experimental data and/or previously computed results. As a further test of the basis sets presented here, the dipole polarizabilities of the F - and Cl - anions and of the HCl and N 2 molecules are also reported

  15. Feasibility of real-time calculation of correlation integral derived statistics applied to EEG time series

    NARCIS (Netherlands)

    Broek, P.L.C. van den; Egmond, J. van; Rijn, C.M. van; Takens, F.; Coenen, A.M.L.; Booij, L.H.D.J.

    2005-01-01

    This study assessed the feasibility of online calculation of the correlation integral (C(r)) aiming to apply C(r)-derived statistics. For real-time application it is important to reduce calculation time. It is shown how our method works for EEG time series. Methods: To achieve online calculation of

  16. Equations for calculating interfacial drag and shear from void fraction correlations

    International Nuclear Information System (INIS)

    Putney, J.M.

    1988-12-01

    Equations are developed for calculating interfacial drag and shear coefficients for dispersed vapour flows from void fraction correlations. The equations have a sound physical basis and lead to physically correct coefficients in all flow situations. (author)

  17. An improved correlated sampling method for calculating correction factor of detector

    International Nuclear Information System (INIS)

    Wu Zhen; Li Junli; Cheng Jianping

    2006-01-01

    In the case of a small size detector lying inside a bulk of medium, there are two problems in the correction factors calculation of the detectors. One is that the detector is too small for the particles to arrive at and collide in; the other is that the ratio of two quantities is not accurate enough. The method discussed in this paper, which combines correlated sampling with modified particle collision auto-importance sampling, and has been realized on the MCNP-4C platform, can solve these two problems. Besides, other 3 variance reduction techniques are also combined with correlated sampling respectively to calculate a simple calculating model of the correction factors of detectors. The results prove that, although all the variance reduction techniques combined with correlated sampling can improve the calculating efficiency, the method combining the modified particle collision auto-importance sampling with the correlated sampling is the most efficient one. (authors)

  18. Feasibility of real-time calculation of correlation integral derived statistics applied to EGG time series

    NARCIS (Netherlands)

    van den Broek, PLC; van Egmond, J; van Rijn, CM; Takens, F; Coenen, AML; Booij, LHDJ

    2005-01-01

    Background: This study assessed the feasibility of online calculation of the correlation integral (C(r)) aiming to apply C(r)derived statistics. For real-time application it is important to reduce calculation time. It is shown how our method works for EEG time series. Methods: To achieve online

  19. Calculating Higher-Order Moments of Phylogenetic Stochastic Mapping Summaries in Linear Time

    Science.gov (United States)

    Dhar, Amrit

    2017-01-01

    Abstract Stochastic mapping is a simulation-based method for probabilistically mapping substitution histories onto phylogenies according to continuous-time Markov models of evolution. This technique can be used to infer properties of the evolutionary process on the phylogeny and, unlike parsimony-based mapping, conditions on the observed data to randomly draw substitution mappings that do not necessarily require the minimum number of events on a tree. Most stochastic mapping applications simulate substitution mappings only to estimate the mean and/or variance of two commonly used mapping summaries: the number of particular types of substitutions (labeled substitution counts) and the time spent in a particular group of states (labeled dwelling times) on the tree. Fast, simulation-free algorithms for calculating the mean of stochastic mapping summaries exist. Importantly, these algorithms scale linearly in the number of tips/leaves of the phylogenetic tree. However, to our knowledge, no such algorithm exists for calculating higher-order moments of stochastic mapping summaries. We present one such simulation-free dynamic programming algorithm that calculates prior and posterior mapping variances and scales linearly in the number of phylogeny tips. Our procedure suggests a general framework that can be used to efficiently compute higher-order moments of stochastic mapping summaries without simulations. We demonstrate the usefulness of our algorithm by extending previously developed statistical tests for rate variation across sites and for detecting evolutionarily conserved regions in genomic sequences. PMID:28177780

  20. 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

  1. 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

  2. Extracting scattering phase shifts in higher partial waves from lattice QCD calculations

    Energy Technology Data Exchange (ETDEWEB)

    Luu, Thomas; Savage, Martin J.

    2011-06-01

    Lüscher’s method is routinely used to determine meson-meson, meson-baryon, and baryon-baryon s-wave scattering amplitudes below inelastic thresholds from lattice QCD calculations—presently at unphysical light-quark masses. In this work we review the formalism and develop the requisite expressions to extract phase shifts describing meson-meson scattering in partial waves with angular momentum l≤6 and l=9. The implications of the underlying cubic symmetry, and strategies for extracting the phase shifts from lattice QCD calculations, are presented, along with a discussion of the signal-to-noise problem that afflicts the higher partial waves.

  3. 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...

  4. 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)

  5. 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.

  6. On the calculation of length scales for turbulent heat transfer correlation

    Energy Technology Data Exchange (ETDEWEB)

    Barrett, M.J.; Hollingsworth, D.K.

    1999-07-01

    Turbulence length scale calculation methods were critically reviewed for their usefulness in boundary layer heat transfer correlations. Merits and deficiencies in each calculation method were presented. A rigorous method for calculating an energy-based integral scale was introduced. The method uses the variance of the streamwise velocity and a measured dissipation spectrum to calculate the length scale. Advantages and disadvantages of the new method were discussed. A principal advantage is the capability to decisively calculate length scales in a low-Reynolds-number turbulent boundary layer. The calculation method was tested with data from grid-generated, free-shear-layer, and wall-bounded turbulence. In each case, the method proved successful. The length scale is well behaved in turbulent boundary layers with momentum thickness Reynolds numbers from 400 to 2,100 and in flows with turbulent Reynolds numbers as low as 90.

  7. The correlation schemes in calculations of the rate constants of some radiation chemical reactions

    International Nuclear Information System (INIS)

    Zagorets, P.A.; Shostenko, A.G.; Kim, V.

    1983-01-01

    The various correlation relationships of the evaluation of the rate constants of radiation chemical reactions of addition, abstraction and isomerization were considered. It was shown that neglection of the influence of solvent can result in errors in calculations of rate constants equalling two orders in magnitude. Several examples of isokinetic relationship are given. The methods of calculation of transmission coefficient of reaction addition have been discussed. (author)

  8. Combining higher-order resummation with multiple NLO calculations and parton showers in GENEVA

    Energy Technology Data Exchange (ETDEWEB)

    Alioli, Simone; Bauer, Christian W.; Berggren, Calvin; Vermilion, Christopher K.; Walsh, Jonathan R.; Zuberi, Saba [California Univ., Berkeley, CA (United States). Ernest Orlando Lawrence Berkeley National Laboratory; Hornig, Andrew [Washington Univ., Seattle, WA (United States). Dept. of Physics; Tackmann, Frank J. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Gruppe Theorie

    2012-11-15

    We extend the lowest-order matching of tree-level matrix elements with parton showers to give a complete description at the next higher perturbative accuracy in {alpha}{sub s} at both small and large jet resolutions, which has not been achieved so far. This requires the combination of the higher-order resummation of large Sudakov logarithms at small values of the jet resolution variable with the full next-to-leading order (NLO) matrix-element corrections at large values. As a by-product, this combination naturally leads to a smooth connection of the NLO calculations for different jet multiplicities. In this paper, we focus on the general construction of our method and discuss its application to e{sup +}e{sup -} and pp collisions. We present first results of the implementation in the GENEVA Monte Carlo framework. We employ N-jettiness as the jet resolution variable, combining its next-to-next-to-leading logarithmic resummation with fully exclusive NLO matrix elements, and PYTHIA 8 as the backend for further parton showering and hadronization. For hadronic collisions, we take Drell-Yan production as an example to apply our construction. For e{sup +}e{sup -} {yields} jets, taking {alpha}{sub s}(m{sub Z}) = 0.1135 from fits to LEP thrust data, together with the PYTHIA 8 hadronization model, we obtain good agreement with LEP data for a variety of 2-jet observables.

  9. Complex Correlation Kohn-T Method of Calculating Total and Elastic Cross Sections. Part 1; Electron-Hydrogen Elastic Scattering

    Science.gov (United States)

    Bhatia, A. K.; Temkin, A.; Fisher, Richard R. (Technical Monitor)

    2001-01-01

    We report on the first part of a study of electron-hydrogen scattering, using a method which allows for the ab initio calculation of total and elastic cross sections at higher energies. In its general form the method uses complex 'radial' correlation functions, in a (Kohn) T-matrix formalism. The titled method, abbreviated Complex Correlation Kohn T (CCKT) method, is reviewed, in the context of electron-hydrogen scattering, including the derivation of the equation for the (complex) scattering function, and the extraction of the scattering information from the latter. The calculation reported here is restricted to S-waves in the elastic region, where the correlation functions can be taken, without loss of generality, to be real. Phase shifts are calculated using Hylleraas-type correlation functions with up to 95 terms. Results are rigorous lower bounds; they are in general agreement with those of Schwartz, but they are more accurate and outside his error bounds at a couple of energies,

  10. On some problems encountered in calculating the correlation dimension of EEG

    International Nuclear Information System (INIS)

    Dvorak, I.; Siska, J.

    1986-06-01

    Results of calculations of correlation dimension of the human EEG are presented. Effects of proband's mental activity, of the length of scrutinized signal and of the locus of registration on the computed values are studied. Evidence is given for a deterministic component in the EEG signal. (author)

  11. Shell-model calculations with a basis that contains correlated pairs

    International Nuclear Information System (INIS)

    Boisson, J.P.; Silvestre-Brac, B.A.; Liotta, R.J.

    1979-01-01

    A method to solve the shell-model equations within a basis that contains correlated pairs of particles is presented. The method is illustrated for the three-identical-particle system. Applications in nuclei around 208 Pb are given and comparisons with both experimental data and other calculations are carried out. (Auth.)

  12. Sample Size Calculation for Estimating or Testing a Nonzero Squared Multiple Correlation Coefficient

    Science.gov (United States)

    Krishnamoorthy, K.; Xia, Yanping

    2008-01-01

    The problems of hypothesis testing and interval estimation of the squared multiple correlation coefficient of a multivariate normal distribution are considered. It is shown that available one-sided tests are uniformly most powerful, and the one-sided confidence intervals are uniformly most accurate. An exact method of calculating sample size to…

  13. Matrix elements and few-body calculations within the unitary correlation operator method

    International Nuclear Information System (INIS)

    Roth, R.; Hergert, H.; Papakonstantinou, P.

    2005-01-01

    We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges. (orig.)

  14. Matrix elements and few-body calculations within the unitary correlation operator method

    International Nuclear Information System (INIS)

    Roth, R.; Hergert, H.; Papakonstantinou, P.; Neff, T.; Feldmeier, H.

    2005-01-01

    We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges

  15. Quantum phase space theory for the calculation of v·j vector correlations

    International Nuclear Information System (INIS)

    Hall, G.E.

    1995-01-01

    The quantum state-counting phase space theory commonly used to describe barrierless dissociation is recast in a helicity basis to calculate photofragment v·j correlations. Counting pairs of fragment states with specific angular momentum projection numbers on the relative velocity provides a simple connection between angular momentum conservation and the v·j correlation, which is not so evident in the conventional basis for phase space state counts. The upper bound on the orbital angular momentum, l, imposed by the centrifugal barrier cannot be included simply in the helicity basis, where l is not a good quantum number. Two approaches for a quantum calculation of the v·j correlation are described to address this point. An application to the photodissociation of NCCN is consistent with recent classical phase space calculations of Cline and Klippenstein. The observed vector correlation exceeds the phase space theory prediction. The authors take this as evidence of incomplete mixing of the K states of the linear parent molecule at the transition state, corresponding to an evolution of the body-fixed projection number K into the total helicity of the fragment pair state. The average over a thermal distribution of parent angular momentum in the special case of a linear molecule does not significantly reduce the v·j correlation below that computed for total J = 0

  16. Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

    2015-10-28

    Carefully choosing a set of optimized coordinates for performing vibrational frequency calculations can significantly reduce the anharmonic correlation energy from the self-consistent field treatment of molecular vibrations. However, moving away from normal coordinates also introduces an additional source of correlation energy arising from mode-coupling at the harmonic level. The impact of this new component of the vibrational energy is examined for a range of molecules, and a method is proposed for correcting the resulting self-consistent field frequencies by adding the full coupling energy from connected pairs of harmonic and pseudoharmonic modes, termed vibrational self-consistent field (harmonic correlation). This approach is found to lift the vibrational degeneracies arising from coordinate optimization and provides better agreement with experimental and benchmark frequencies than uncorrected vibrational self-consistent field theory without relying on traditional correlated methods.

  17. Colocalization analysis in fluorescence micrographs: verification of a more accurate calculation of pearson's correlation coefficient.

    Science.gov (United States)

    Barlow, Andrew L; Macleod, Alasdair; Noppen, Samuel; Sanderson, Jeremy; Guérin, Christopher J

    2010-12-01

    One of the most routine uses of fluorescence microscopy is colocalization, i.e., the demonstration of a relationship between pairs of biological molecules. Frequently this is presented simplistically by the use of overlays of red and green images, with areas of yellow indicating colocalization of the molecules. Colocalization data are rarely quantified and can be misleading. Our results from both synthetic and biological datasets demonstrate that the generation of Pearson's correlation coefficient between pairs of images can overestimate positive correlation and fail to demonstrate negative correlation. We have demonstrated that the calculation of a thresholded Pearson's correlation coefficient using only intensity values over a determined threshold in both channels produces numerical values that more accurately describe both synthetic datasets and biological examples. Its use will bring clarity and accuracy to colocalization studies using fluorescent microscopy.

  18. Spatio-chromatic adaptation via higher-order canonical correlation analysis of natural images.

    Science.gov (United States)

    Gutmann, Michael U; Laparra, Valero; Hyvärinen, Aapo; Malo, Jesús

    2014-01-01

    Independent component and canonical correlation analysis are two general-purpose statistical methods with wide applicability. In neuroscience, independent component analysis of chromatic natural images explains the spatio-chromatic structure of primary cortical receptive fields in terms of properties of the visual environment. Canonical correlation analysis explains similarly chromatic adaptation to different illuminations. But, as we show in this paper, neither of the two methods generalizes well to explain both spatio-chromatic processing and adaptation at the same time. We propose a statistical method which combines the desirable properties of independent component and canonical correlation analysis: It finds independent components in each data set which, across the two data sets, are related to each other via linear or higher-order correlations. The new method is as widely applicable as canonical correlation analysis, and also to more than two data sets. We call it higher-order canonical correlation analysis. When applied to chromatic natural images, we found that it provides a single (unified) statistical framework which accounts for both spatio-chromatic processing and adaptation. Filters with spatio-chromatic tuning properties as in the primary visual cortex emerged and corresponding-colors psychophysics was reproduced reasonably well. We used the new method to make a theory-driven testable prediction on how the neural response to colored patterns should change when the illumination changes. We predict shifts in the responses which are comparable to the shifts reported for chromatic contrast habituation.

  19. Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions.

    Science.gov (United States)

    Tao, Guohua; Miller, William H

    2011-07-14

    An efficient time-dependent importance sampling method is developed for the Monte Carlo calculation of time correlation functions via the initial value representation (IVR) of semiclassical (SC) theory. A prefactor-free time-dependent sampling function weights the importance of a trajectory based on the magnitude of its contribution to the time correlation function, and global trial moves are used to facilitate the efficient sampling the phase space of initial conditions. The method can be generally applied to sampling rare events efficiently while avoiding being trapped in a local region of the phase space. Results presented in the paper for two system-bath models demonstrate the efficiency of this new importance sampling method for full SC-IVR calculations.

  20. Spectral calculations for pressure-velocity and pressure-strain correlations in homogeneous shear turbulence

    Science.gov (United States)

    Dutta, Kishore

    2018-02-01

    Theoretical analyses of pressure related turbulent statistics are vital for a reliable and accurate modeling of turbulence. In the inertial subrange of turbulent shear flow, pressure-velocity and pressure-strain correlations are affected by anisotropy imposed at large scales. Recently, Tsuji and Kaneda (2012 J. Fluid Mech. 694 50) performed a set of experiments on homogeneous shear flow, and estimated various one-dimensional pressure related spectra and the associated non-dimensional universal numbers. Here, starting from the governing Navier-Stokes dynamics for the fluctuating velocity field and assuming the anisotropy at inertial scales as a weak perturbation of an otherwise isotropic dynamics, we analytically derive the form of the pressure-velocity and pressure-strain correlations. The associated universal numbers are calculated using the well-known renormalization-group results, and are compared with the experimental estimates of Tsuji and Kaneda. Approximations involved in the perturbative calculations are discussed.

  1. A Correlational Study on Transformational Leadership and Resilience in Higher Education Leadership

    Science.gov (United States)

    Wasden, Shane T.

    2014-01-01

    This quantitative correlational study investigated the relationship between self-perceived transformational leadership and self-perceived resilience within the confines of higher education leadership. This dissertation is written from a professional practice doctorate (PPD) perspective. A discussion of the PPD and its components is provided along…

  2. Optimising parallel R correlation matrix calculations on gene expression data using MapReduce.

    Science.gov (United States)

    Wang, Shicai; Pandis, Ioannis; Johnson, David; Emam, Ibrahim; Guitton, Florian; Oehmichen, Axel; Guo, Yike

    2014-11-05

    High-throughput molecular profiling data has been used to improve clinical decision making by stratifying subjects based on their molecular profiles. Unsupervised clustering algorithms can be used for stratification purposes. However, the current speed of the clustering algorithms cannot meet the requirement of large-scale molecular data due to poor performance of the correlation matrix calculation. With high-throughput sequencing technologies promising to produce even larger datasets per subject, we expect the performance of the state-of-the-art statistical algorithms to be further impacted unless efforts towards optimisation are carried out. MapReduce is a widely used high performance parallel framework that can solve the problem. In this paper, we evaluate the current parallel modes for correlation calculation methods and introduce an efficient data distribution and parallel calculation algorithm based on MapReduce to optimise the correlation calculation. We studied the performance of our algorithm using two gene expression benchmarks. In the micro-benchmark, our implementation using MapReduce, based on the R package RHIPE, demonstrates a 3.26-5.83 fold increase compared to the default Snowfall and 1.56-1.64 fold increase compared to the basic RHIPE in the Euclidean, Pearson and Spearman correlations. Though vanilla R and the optimised Snowfall outperforms our optimised RHIPE in the micro-benchmark, they do not scale well with the macro-benchmark. In the macro-benchmark the optimised RHIPE performs 2.03-16.56 times faster than vanilla R. Benefiting from the 3.30-5.13 times faster data preparation, the optimised RHIPE performs 1.22-1.71 times faster than the optimised Snowfall. Both the optimised RHIPE and the optimised Snowfall successfully performs the Kendall correlation with TCGA dataset within 7 hours. Both of them conduct more than 30 times faster than the estimated vanilla R. The performance evaluation found that the new MapReduce algorithm and its

  3. Peak power factor determination of the RA-6 Argentinean Research Reactor using measurement-calculations correlations

    International Nuclear Information System (INIS)

    Sanchez, F. A.; Blaumann, H.; Lopasso, E.; Longhino, J

    2009-01-01

    The maximum power of a reactor is limited by the power peaking factor. During the design stage it is calculated with neutronic calculation codes. This is not enough for ensuring its value due to modelling approximations. For the RA-6s low enrichment new core a calculus-measurement correlation method have been applied. Position and magnitude of the maximum power density estimated by calculus are used by this method. For this work 249 cooper-gold alloy (1.55% Au) wires have been distributed along the core using 19 aluminium blades. Their positions have been selected using information given by a 5 groups PUMA reactor model. Wire s activity have been measured with a HPGe detector. Gold activity have been used only for verifying the calculated core spectrum. The measured power peaking factor was 2.48±0.3 (3σ), 15% above the calculated value. About 97% of measured points had less than 20% calculation-measurement difference and about 80% had less than 10%. The power peaking factor determined by this method consolidates also the calculations models. [es

  4. Correlation functions of Sp(2n) invariant higher-spin systems

    Energy Technology Data Exchange (ETDEWEB)

    Skvortsov, Evgeny [Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians University Munich,Theresienstr. 37, D-80333 Munich (Germany); ebedev Institute of Physics,Leninsky ave 53, 119991, Moscow (Russian Federation); Sorokin, Dmitri [INFN - Sezione di Padova,via F. Marzolo 8, 35131 Padova (Italy); Tsulaia, Mirian [School of Physics M013, The University of Western Australia,35 Stirling Highway, Crawley, Perth, WA 6009 (Australia)

    2016-07-26

    We study the general structure of correlation functions in an Sp(2n)-invariant formulation of systems of an infinite number of higher-spin fields. For n=4,8 and 16 these systems comprise the conformal higher-spin fields in space-time dimensions D=4,6 and 10, respectively, while when n=2, one deals with conventional D=3 conformal field theories of scalars and spinors. We show that for n>2 the Sp(2n) symmetry and current conservation makes the 3-point correlators of two (rank-one or rank-two) conserved currents with a scalar operator be that of free theory. This situation is analogous to the one in conventional conformal field theories, where conservation of higher-spin currents implies that the theories are free.

  5. Correlation functions for fully or partially state-resolved reactive scattering calculations

    International Nuclear Information System (INIS)

    Manthe, Uwe; Welsch, Ralph

    2014-01-01

    Flux correlation functions and the quantum transition state concept are important tools for the accurate description of polyatomic reaction processes. Combined with the multi-configurational time-dependent Hartree approach, they facilitate rigorous full-dimensional calculations of cumulative and initial-state selected reaction probabilities for six atom reactions. In recent work [R. Welsch, F. Huarte-Larrañaga, and U. Manthe, J. Chem. Phys. 136, 064117 (2012)], an approach which allows one to calculate also state-to-state reaction probabilities within the quantum transition state concept has been introduced. This article presents further developments. Alternative generalized flux correlation functions are introduced and discussed. Equations for the calculation of fully state-resolved differential cross section using arbitrary definitions of the body fixed frame are derived. An approach for the efficient calculation of partially state-resolved observables as a function of the collision energy is introduced. Finally, numerical test studying the D + H 2 reaction illustrate important aspects of the formalism

  6. Causal Correlation Functions and Fourier Transforms: Application in Calculating Pressure Induced Shifts

    Science.gov (United States)

    Ma, Q.; Tipping, R. H.; Lavrentieva, N. N.

    2012-01-01

    By adopting a concept from signal processing, instead of starting from the correlation functions which are even, one considers the causal correlation functions whose Fourier transforms become complex. Their real and imaginary parts multiplied by 2 are the Fourier transforms of the original correlations and the subsequent Hilbert transforms, respectively. Thus, by taking this step one can complete the two previously needed transforms. However, to obviate performing the Cauchy principal integrations required in the Hilbert transforms is the greatest advantage. Meanwhile, because the causal correlations are well-bounded within the time domain and band limited in the frequency domain, one can replace their Fourier transforms by the discrete Fourier transforms and the latter can be carried out with the FFT algorithm. This replacement is justified by sampling theory because the Fourier transforms can be derived from the discrete Fourier transforms with the Nyquis rate without any distortions. We apply this method in calculating pressure induced shifts of H2O lines and obtain more reliable values. By comparing the calculated shifts with those in HITRAN 2008 and by screening both of them with the pair identity and the smooth variation rules, one can conclude many of shift values in HITRAN are not correct.

  7. Medication competency of nurses according to theoretical and drug calculation online exams: A descriptive correlational study.

    Science.gov (United States)

    Sneck, Sami; Saarnio, Reetta; Isola, Arja; Boigu, Risto

    2016-01-01

    Medication administration is an important task of registered nurses. According to previous studies, nurses lack theoretical knowledge and drug calculation skills and knowledge-based mistakes do occur in clinical practice. Finnish health care organizations started to develop a systematic verification processes for medication competence at the end of the last decade. No studies have yet been made of nurses' theoretical knowledge and drug calculation skills according to these online exams. The aim of this study was to describe the medication competence of Finnish nurses according to theoretical and drug calculation exams. A descriptive correlation design was adopted. Participants and settings All nurses who participated in the online exam in three Finnish hospitals between 1.1.2009 and 31.05.2014 were selected to the study (n=2479). Quantitative methods like Pearson's chi-squared tests, analysis of variance (ANOVA) with post hoc Tukey tests and Pearson's correlation coefficient were used to test the existence of relationships between dependent and independent variables. The majority of nurses mastered the theoretical knowledge needed in medication administration, but 5% of the nurses struggled with passing the drug calculation exam. Theoretical knowledge and drug calculation skills were better in acute care units than in the other units and younger nurses achieved better results in both exams than their older colleagues. The differences found in this study were statistically significant, but not high. Nevertheless, even the tiniest deficiency in theoretical knowledge and drug calculation skills should be focused on. It is important to identify the nurses who struggle in the exams and to plan targeted educational interventions for supporting them. The next step is to study if verification of medication competence has an effect on patient safety. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. 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.

  9. An Adaptive Model for Calculating the Correlation Degree of Multiple Adjacent Signalized Intersections

    Directory of Open Access Journals (Sweden)

    Linhong Wang

    2013-01-01

    Full Text Available As an important component of the urban adaptive traffic control system, subarea partition algorithm divides the road network into some small subareas and then determines the optimal signal control mode for each signalized intersection. Correlation model is the core of subarea partition algorithm because it can quantify the correlation degree of adjacent signalized intersections and decides whether these intersections can be grouped into one subarea. In most cases, there are more than two intersections in one subarea. However, current researches only focus on the correlation model for two adjacent intersections. The objective of this study is to develop a model which can calculate the correlation degree of multiple intersections adaptively. The cycle lengths, link lengths, number of intersections, and path flow between upstream and downstream coordinated phases were selected as the contributing factors of the correlation model. Their jointly impacts on the performance of the coordinated control mode relative to the isolated control mode were further studied using numerical experiments. The paper then proposed a correlation index (CI as an alternative to relative performance. The relationship between CI and the four contributing factors was established in order to predict the correlation, which determined whether adjacent intersections could be partitioned into one subarea. A value of 0 was set as the threshold of CI. If CI was larger than 0, multiple intersections could be partitioned into one subarea; otherwise, they should be separated. Finally, case studies were conducted in a real-life signalized network to evaluate the performance of the model. The results show that the CI simulates the relative performance well and could be a reliable index for subarea partition.

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

    Science.gov (United States)

    Zhou, Chenyi; Guo, Hong

    2017-01-01

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

  11. Science Curiosity as a Correlate of Academic Performance in Mathematics Education: Insights from Nigerian Higher Education

    OpenAIRE

    Abakpa , Benjamin ,; Abah , Joshua ,; Okoh Agbo-Egwu , Abel

    2018-01-01

    International audience; This study investigated the relationship between the science curiosity levels of undergraduate of mathematics education in a Nigerian higher educational institution and their academic grade point averages. The study employed a correlational survey research design on a random sample of 104 mathematics education students. The Science Curiosity Scale – Comparative Self Report was adapted to measure the students' distinctive appetite for consuming science-related media for...

  12. Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes.

    Science.gov (United States)

    Kondratyuk, Nikolay D; Norman, Genri E; Stegailov, Vladimir V

    2016-11-28

    Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane. The non-conventional long-time tails of the velocity autocorrelation function (VACF) are found for this system. Temperature dependence of the VACF tail decay exponent is defined. The proper inclusion of the long-time tail contributions to the diffusion coefficient calculation results in the consistency between G-K and E-S methods. Having considered the major factors influencing the precision of the diffusion rate calculations in comparison with experimental data (system size effects and force field parameters), we point to hydrogen nuclear quantum effects as, presumably, the last obstacle to fully consistent n-alkane description.

  13. The Polyakov loop and its correlators in higher representations of SU(3) at finite temperature

    International Nuclear Information System (INIS)

    Huebner, K.A.

    2006-09-01

    We have calculated the Polyakov loop in representations D=3,6,8,10,15,15',24,27 and diquark and baryonic Polyakov loop correlation functions with fundamental sources in SU(3) pure gauge theory and 2-flavour QCD with staggered quarks and Q anti Q-singlet correlation functions with sources in the fundamental and adjoint representation in SU(3) pure gauge theory. We have tested a new renormalisation procedure for the Polyakov loop and extracted the adjoint Polyakov loop below T c , binding energy of the gluelump and string breaking distances. Moreover, we could show Casimir scaling for the Polyakov loop in different representations in SU(3) pure gauge theory above T c . Diquark antitriplet and baryonic singlet free energies are related to the Q anti Q-singlet free energies by the Casimir as well. (orig.)

  14. The Polyakov loop and its correlators in higher representations of SU(3) at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Huebner, K.A.

    2006-09-15

    We have calculated the Polyakov loop in representations D=3,6,8,10,15,15',24,27 and diquark and baryonic Polyakov loop correlation functions with fundamental sources in SU(3) pure gauge theory and 2-flavour QCD with staggered quarks and Q anti Q-singlet correlation functions with sources in the fundamental and adjoint representation in SU(3) pure gauge theory. We have tested a new renormalisation procedure for the Polyakov loop and extracted the adjoint Polyakov loop below T{sub c}, binding energy of the gluelump and string breaking distances. Moreover, we could show Casimir scaling for the Polyakov loop in different representations in SU(3) pure gauge theory above T{sub c}. Diquark antitriplet and baryonic singlet free energies are related to the Q anti Q-singlet free energies by the Casimir as well. (orig.)

  15. Chemotherapy-Induced Fatigue Correlates With Higher Fatigue Scores Before Treatment.

    Science.gov (United States)

    Araújo, José Klerton Luz; Giglio, Adriana Del; Munhoz, Bruna Antenusse; Fonseca, Fernando Luiz Affonso; Cruz, Felipe Melo; Giglio, Auro Del

    2017-06-01

    Cancer chemotherapy can induce fatigue in about 20% to 30% of patients. So far, there is very little information as to the predictors of chemotherapy-induced fatigue (CIF). We evaluated potential predictors of CIF in a sample of patients with cancer with several types of solid tumors scheduled to receive chemotherapy according to institutional protocols. Before their first and second chemotherapy cycles, patients answered to the Brief Fatigue Inventory (BFI), Chalder, Mini Nutritional Assessment (MNA), Stress thermometer, and HADS questionnaires as well as provided blood samples for inflammatory markers. We evaluated 52 patients, 37 (71%) were female and mean age was 53 years. The most common tumors were breast cancer 21 (40%) and gastrointestinal tumors 12 (23%). Although 14 (25.2%) patients had an increase in their fatigue BFI scores equal or above 3 points from baseline, we observed no significant overall differences between BFI scores before and after chemotherapy. The only 2 factors associated with an increase of 3 points in the BFI scores after chemotherapy were race and higher baseline BFI levels. By multivariate analysis, overall BFI and Chalder scores after chemotherapy also correlated significantly with their respective baseline scores before treatment. HADS scores before treatment correlated with overall BFI scores postchemotherapy, whereas MNA scores before chemotherapy and female sex correlated with higher Chalder scores after treatment. We conclude that fatigue induced by chemotherapy is common and consistently associated with higher fatigue scores before treatment. Screening for fatigue before chemotherapy may help to identify patients who are prone to develop CIF.

  16. Coulomb correlations in electron and positron impact ionization of hydrogen at intermediate and higher energies

    International Nuclear Information System (INIS)

    Jetzke, S.; Faisal, F.H.M.

    1992-01-01

    Investigating the relation between the asymptotic condition and the dynamic Coulomb correlation for single and multiple ionization we discuss a complete set of spatially separable N-electrons final-state wavefunctions, satisfying multiple ionization boundary conditions. We apply these results to electron and positron impact ionization of atomic hydrogen in the energy range 54.4 and 250 eV on the basis of a parameter-free model formulated within the scope of the multiple scattering approach. A comparison between our results and available experimental data and alternative theoretical calculations are made and discussed. (Author)

  17. First principles electron-correlated calculations of optical absorption in magnesium clusters★

    Science.gov (United States)

    Shinde, Ravindra; Shukla, Alok

    2017-11-01

    In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mgn (n = 2-5), corresponding to valence transitions. Geometry optimization of several low-lying isomers of each cluster was carried out using coupled-cluster singles doubles (CCSD) approach, and these geometries were subsequently employed to perform ground and excited state calculations using either the full-CI (FCI) or the multi-reference singles-doubles configuration interaction (MRSDCI) approach, within the frozen-core approximation. Our calculated photoabsorption spectrum of magnesium dimer (Mg2) is in excellent agreement with the experiments both for peak positions, and intensities. Owing to the sufficiently inclusive electron-correlation effects, these results can serve as benchmarks against which future experiments, as well as calculations performed using other theoretical approaches, can be tested. Supplementary material in the form of one pdf fille available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80356-6.

  18. The bridge crane mechanism shaft reliability calculating in case of the fatigue fracture parameters correlation

    Directory of Open Access Journals (Sweden)

    Krutitskiy M.N.

    2016-03-01

    Full Text Available The method of statistical tests examines the impact of the correlation of the parameters of fatigue-such as the durability of the shaft mechanism of an overhead traveling crane for General use is under consideration in this article. It is be-lieved that the normal and shear stresses together affect the overall durability of the shaft. There may be a correlation between endurance limits and coefficients of block similarity of loading. To calculate resource used corrected linear theory of fatigue damage accumulation. Parameters on the reliability are computed after building the function, the reli-ability function directly or through private functions the reliability function for each type of stress.

  19. Calculating emittance for Gaussian and Non-Gaussian distributions by the method of correlations for slits

    International Nuclear Information System (INIS)

    Tan, Cheng-Yang; Fermilab

    2006-01-01

    One common way for measuring the emittance of an electron beam is with the slits method. The usual approach for analyzing the data is to calculate an emittance that is a subset of the parent emittance. This paper shows an alternative way by using the method of correlations which ties the parameters derived from the beamlets to the actual parameters of the parent emittance. For parent distributions that are Gaussian, this method yields exact results. For non-Gaussian beam distributions, this method yields an effective emittance that can serve as a yardstick for emittance comparisons

  20. Equivalence of two independent calculations of the higher order guiding center Lagrangian

    International Nuclear Information System (INIS)

    Parra, F. I.; Calvo, I.; Burby, J. W.; Squire, J.; Qin, H.

    2014-01-01

    The difference between the guiding center phase-space Lagrangians derived in J. W. Burby et al. [Phys. Plasmas 20, 072105 (2013)] and F. I. Parra and I. Calvo [Plasma Phys. Controlled Fusion 53, 045001 (2011)] is due to a different definition of the guiding center coordinates. In this brief communication, the difference between the guiding center coordinates is calculated explicitly

  1. Calculation of the two-electron Darwin term using explicitly correlated wave functions

    International Nuclear Information System (INIS)

    Middendorf, Nils; Höfener, Sebastian; Klopper, Wim; Helgaker, Trygve

    2012-01-01

    Graphical abstract: The two-electron Darwin term is computed analytically at the MP2-F12 level of theory using density fitted integrals. Highlights: ► Two-electron Darwin term computed analytically at the MP2-F12 level. ► Darwin two-electron integrals computed using density fitting techniques. ► Two-electron Darwin term dominated by singlet pair contributions. ► Much improved basis set convergence is achieved with F12 methods. ► Interference correction works well for the two-electron Darwin term. - Abstract: This article is concerned with the calculation of the two-electron Darwin term (D2). At the level of explicitly correlated second-order perturbation theory (MP2-F12), the D2 term is obtained as an analytic energy derivative; at the level of explicitly correlated coupled-cluster theory, it is obtained from finite differences. To avoid the calculation of four-center integrals, a density-fitting approximation is applied to the D2 two-electron integrals without loss of accuracy, even though the absolute value of the D2 term is typically about 0.1 mE h . Explicitly correlated methods provide a qualitatively correct description of the short-range region around the Coulomb hole, even for small orbital basis sets. Therefore, explicitly correlated wave functions remedy the otherwise extremely slow convergence of the D2 contribution with respect to the basis-set size, yielding more accurate results than those obtained by two-point basis-set extrapolation. Moreover, we show that the interference correction of Petersson’s complete-basis-set model chemistry can be used to compute a D2 basis-set correction at the MP2-F12 level to improve standard coupled-cluster singles-and-doubles results.

  2. Higher plasma level of STIM1, OPG are correlated with stent restenosis after PCI.

    Science.gov (United States)

    Li, Haibin; Jiang, Zhian; Liu, Xiangdong; Yang, Zhihui

    2015-01-01

    Percutaneous Coronary Intervention (PCI) is one of the most effective treatments for Coronary Heart Disease (CHD), but the high rate of In Stent Restenosis (ISR) has plagued clinicians after PCI. We aim to investigate the correlation of plasma Stromal Interaction Molecular 1 (STIM1) and Osteoprotegerin (OPG) level with stent restenosis after PCI. A total of 100 consecutive patients with Coronary Heart Disease (CHD) received PCI procedure were recruited. Coronary angiography was performed 8 months after their PCI. Then patients were divided into 2 groups: observation group was composed by patients who existing postoperative stenosis after intervention; Control group was composed by patients with no postoperative stenosis. The plasma levels of STIM, OPG in all patients were tested before and after intervention. Pearson correlation and multiple linear regression analysis were performed to analysis the correlation between STIM, OPG level and postoperative stenosis. 35 cases were divided into observation group and other 65 were divided into control group. The plasma levels of STIM, OPG have no statistical difference before their PCI procedure, but we observed higher level of High-sensitivity C-reactive protein (Hs-CRP) existed in observation group. We observed higher level of plasma STIM, OPG in observation group when compared with control group after PCI procedure (P PCI, which could provide useful information for the restenosis control after PCI.

  3. Relativistic coupled-cluster calculations of 20Ne, 40Ar, 84Kr, and 129Xe: Correlation energies and dipole polarizabilities

    International Nuclear Information System (INIS)

    Mani, B. K.; Angom, D.; Latha, K. V. P.

    2009-01-01

    We have carried out a detailed and systematic study of the correlation energies of inert gas atoms Ne, Ar, Kr, and Xe using relativistic many-body perturbation theory and relativistic coupled-cluster theory. In the relativistic coupled-cluster calculations, we implement perturbative triples and include these in the correlation energy calculations. We then calculate the dipole polarizability of the ground states using perturbed coupled-cluster theory.

  4. Higher fetal insulin resistance in Chinese pregnant women with gestational diabetes mellitus and correlation with maternal insulin resistance.

    Science.gov (United States)

    Wang, Qiuwei; Huang, Ruiping; Yu, Bin; Cao, Fang; Wang, Huiyan; Zhang, Ming; Wang, Xinhong; Zhang, Bin; Zhou, Hong; Zhu, Ziqiang

    2013-01-01

    The aim of this study was to determine the effect of gestational diabetes mellitus (GDM) on fetal insulin resistance or β-cell function in Chinese pregnant women with GDM. Maternal fasting blood and venous cord blood samples (reflecting fetal condition) were collected in 65 well-controlled Chinese GDM mothers (only given dietary intervention) and 83 control subjects. The insulin, glucose and proinsulin concentrations of both maternal and cord blood samples were measured, and the homeostasis model assessment of insulin resistance (HOMA-IR) and the proinsulin-to-insulin ratios (an indicator of fetal β-cell function) were calculated in maternal and cord blood respectively. Both maternal and fetal levels of insulin, proinsulin and HOMA-IR but not proinsulin-to-insulin ratios were significantly higher in the GDM group than in the control group (maternal insulin, 24.8 vs. 15.4 µU/mL, P = 0.004, proinsulin, 23.3 vs. 16.2 pmol/L, P = 0.005, and HOMA-IR, 5.5 vs. 3.5, P = 0.041, respectively; fetal: insulin, 15.1 vs. 7.9 µU/mL, Pinsulin ratios was significantly correlated to maternal HOMA-IR (r = 0.307, P = 0.019), in the pregnant women with GDM. Fetal insulin resistance was higher in Chinese pregnant women with GDM than control subjects, and correlated with maternal insulin resistance.

  5. Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies.

    Science.gov (United States)

    Ahmed, Arif; Lim, Dongwon; Choi, Cheol Ho; Kim, Sunghwan

    2017-06-30

    The theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive-mode (+) atmospheric-pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study. A parameter is devised by combining experimental MS data and high-level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange-correlation functions with the standard 6-311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations. All the molecules with ΔH toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI. The data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  6. 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.

  7. Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.

    Science.gov (United States)

    Tanaka, Shigenori; Mochizuki, Yuji; Komeiji, Yuto; Okiyama, Yoshio; Fukuzawa, Kaori

    2014-06-14

    Recent developments in the fragment molecular orbital (FMO) method for theoretical formulation, implementation, and application to nano and biomolecular systems are reviewed. The FMO method has enabled ab initio quantum-mechanical calculations for large molecular systems such as protein-ligand complexes at a reasonable computational cost in a parallelized way. There have been a wealth of application outcomes from the FMO method in the fields of biochemistry, medicinal chemistry and nanotechnology, in which the electron correlation effects play vital roles. With the aid of the advances in high-performance computing, the FMO method promises larger, faster, and more accurate simulations of biomolecular and related systems, including the descriptions of dynamical behaviors in solvent environments. The current status and future prospects of the FMO scheme are addressed in these contexts.

  8. Need for higher order polynomial basis for polynomial nodal methods employed in LWR calculations

    International Nuclear Information System (INIS)

    Taiwo, T.A.; Palmiotti, G.

    1997-01-01

    The paper evaluates the accuracy and efficiency of sixth order polynomial solutions and the use of one radial node per core assembly for pressurized water reactor (PWR) core power distributions and reactivities. The computer code VARIANT was modified to calculate sixth order polynomial solutions for a hot zero power benchmark problem in which a control assembly along a core axis is assumed to be out of the core. Results are presented for the VARIANT, DIF3D-NODAL, and DIF3D-finite difference codes. The VARIANT results indicate that second order expansion of the within-node source and linear representation of the node surface currents are adequate for this problem. The results also demonstrate the improvement in the VARIANT solution when the order of the polynomial expansion of the within-node flux is increased from fourth to sixth order. There is a substantial saving in computational time for using one radial node per assembly with the sixth order expansion compared to using four or more nodes per assembly and fourth order polynomial solutions. 11 refs., 1 tab

  9. Calculation of the correlation coefficients between the numbers of counts (peak areas and backgrounds) obtained from gamma-ray spectra

    International Nuclear Information System (INIS)

    Korun, M.; Vodenik, B.; Zorko, B.

    2016-01-01

    Two simple methods for calculating the correlations between peaks appearing in gamma-ray spectra are described. We show how the areas are correlated when the peaks do not overlap, but the spectral regions used for the calculation of the background below the peaks do. When the peaks overlap, the correlation can be stronger than in the case of the non-overlapping peaks. The methods presented are simplified to the extent of allowing their implementation with manual calculations. They are intended for practitioners as additional tools to be used when the correlations between the areas of the peaks in the gamma-ray spectra are to be calculated. Also, the correlation coefficient between the number of counts in the peak and the number of counts in the continuous background below the peak is derived. - Highlights: • The correlation coefficients between areas of closely spaced peaks are assessed. • For isolated peaks the correlation arises from the common continuous background. • If peaks overlap the correlation coefficient depends on how much they overlap. • If peaks overlap also the background height affects the correlation coefficient. • The correlation coefficient between the peak area and its background is −1.

  10. Geminal embedding scheme for optimal atomic basis set construction in correlated calculations

    Energy Technology Data Exchange (ETDEWEB)

    Sorella, S., E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), Via Beirut 2-4, 34014 Trieste, Italy and INFM Democritos National Simulation Center, Trieste (Italy); Devaux, N.; Dagrada, M., E-mail: mario.dagrada@impmc.upmc.fr [Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Mazzola, G., E-mail: gmazzola@phys.ethz.ch [Theoretische Physik, ETH Zurich, 8093 Zurich (Switzerland); Casula, M., E-mail: michele.casula@impmc.upmc.fr [CNRS and Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Université Pierre et Marie Curie, Case 115, 4 Place Jussieu, 75252 Paris Cedex 05 (France)

    2015-12-28

    We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out from its environment, while the entire system (atom and environment) is described by a Slater determinant or its antisymmetrized geminal power (AGP) extension. The embedding procedure described here allows for the systematic and consistent contraction of the primitive basis set into geminal embedded orbitals (GEOs), with a dramatic reduction of the number of variational parameters necessary to represent the many-body wave function, for a chosen target accuracy. Within the variational Monte Carlo method, the Slater or AGP part is determined by a variational minimization of the energy of the whole system in presence of a flexible and accurate Jastrow factor, representing most of the dynamical electronic correlation. The resulting GEO basis set opens the way for a fully controlled optimization of many-body wave functions in electronic structure calculation of bulk materials, namely, containing a large number of electrons and atoms. We present applications on the water molecule, the volume collapse transition in cerium, and the high-pressure liquid hydrogen.

  11. Electronic structure calculations of atomic transport properties in uranium dioxide: influence of strong correlations

    International Nuclear Information System (INIS)

    Dorado, B.

    2010-09-01

    Uranium dioxide UO 2 is the standard nuclear fuel used in pressurized water reactors. During in-reactor operation, the fission of uranium atoms yields a wide variety of fission products (FP) which create numerous point defects while slowing down in the material. Point defects and FP govern in turn the evolution of the fuel physical properties under irradiation. In this study, we use electronic structure calculations in order to better understand the fuel behavior under irradiation. In particular, we investigate point defect behavior, as well as the stability of three volatile FP: iodine, krypton and xenon. In order to take into account the strong correlations of uranium 5f electrons in UO 2 , we use the DFT+U approximation, based on the density functional theory. This approximation, however, creates numerous metastable states which trap the system and induce discrepancies in the results reported in the literature. To solve this issue and to ensure the ground state is systematically approached as much as possible, we use a method based on electronic occupancy control of the correlated orbitals. We show that the DFT+U approximation, when used with electronic occupancy control, can describe accurately point defect and fission product behavior in UO 2 and provide quantitative information regarding point defect transport properties in the oxide fuel. (author)

  12. Benchmark calculations with correlated molecular wave functions. VII. Binding energy and structure of the HF dimer

    International Nuclear Information System (INIS)

    Peterson, K.A.; Dunning, T.H. Jr.

    1995-01-01

    The hydrogen bond energy and geometry of the HF dimer have been investigated using the series of correlation consistent basis sets from aug-cc-pVDZ to aug-cc-pVQZ and several theoretical methods including Moller--Plesset perturbation and coupled cluster theories. Estimates of the complete basis set (CBS) limit have been derived for the binding energy of (HF) 2 at each level of theory by utilizing the regular convergence characteristics of the correlation consistent basis sets. CBS limit hydrogen bond energies of 3.72, 4.53, 4.55, and 4.60 kcal/mol are estimated at the SCF, MP2, MP4, and CCSD(T) levels of theory, respectively. CBS limits for the intermolecular F--F distance are estimated to be 2.82, 2.74, 2.73, and 2.73 A, respectively, for the same correlation methods. The effects of basis set superposition error (BSSE) on both the binding energies and structures have also been investigated for each basis set using the standard function counterpoise (CP) method. While BSSE has a negligible effect on the intramolecular geometries, the CP-corrected F--F distance and binding energy differ significantly from the uncorrected values for the aug-cc-pVDZ basis set; these differences decrease regularly with increasing basis set size, yielding the same limits in the CBS limit. Best estimates for the equilibrium properties of the HF dimer from CCSD(T) calculations are D e =4.60 kcal/mol, R FF =2.73 A, r 1 =0.922 A, r 2 =0.920 A, Θ 1 =7 degree, and Θ 2 =111 degree

  13. Accurate orbital-dependent correlation and exchange-correlation potentials from non-iterative ab initio dft calculations

    Science.gov (United States)

    Grabowski, Ireneusz; Lotrich, Victor

    2005-08-01

    A new approximate non-iterative procedure to obtain accurate correlation and exchange-correlation potentials of Kohn-Sham (KS) density functional theory (DFT) is presented. By carrying out only one step of the correlated optimized effective potential (OEP) iterations following the standard iterative exchange-only OEP, one can recover accurate correlation potentials corresponding to the orbital-dependent second-order many-body perturbation theory [MBPT(2)] energy functional that are hardly discernible from those obtained by the more expensive, fully iterative procedure. This new 'one-step' OEP-MBPT(2) algorithm reflects the non-iterative, perturbative algorithm of standard, canonical MBPT(2) of ab initio wave function theory, while it allows the correlation potentials to readjust and include the majority of the MBPT(2) correlation effect. It is also flexible in the treatment of exchange and the Hartree-Fock orbitals may be used in lieu of the exchange-only OEP orbitals, when the correlation or exchange-correlation potential is of interest.

  14. Application of Higher Order Fission Matrix for Real Variance Estimation in McCARD Monte Carlo Eigenvalue Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ho Jin [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Shim, Hyung Jin [Seoul National University, Seoul (Korea, Republic of)

    2015-05-15

    In a Monte Carlo (MC) eigenvalue calculation, it is well known that the apparent variance of a local tally such as pin power differs from the real variance considerably. The MC method in eigenvalue calculations uses a power iteration method. In the power iteration method, the fission matrix (FM) and fission source density (FSD) are used as the operator and the solution. The FM is useful to estimate a variance and covariance because the FM can be calculated by a few cycle calculations even at inactive cycle. Recently, S. Carney have implemented the higher order fission matrix (HOFM) capabilities into the MCNP6 MC code in order to apply to extend the perturbation theory to second order. In this study, the HOFM capability by the Hotelling deflation method was implemented into McCARD and used to predict the behavior of a real and apparent SD ratio. In the simple 1D slab problems, the Endo's theoretical model predicts well the real to apparent SD ratio. It was noted that the Endo's theoretical model with the McCARD higher mode FS solutions by the HOFM yields much better the real to apparent SD ratio than that with the analytic solutions. In the near future, the application for a high dominance ratio problem such as BEAVRS benchmark will be conducted.

  15. Correlation between Quantumchemically Calculated LUMO Energies and the Electrochemical Window of Ionic Liquids with Reduction-Resistant Anions

    Directory of Open Access Journals (Sweden)

    Wim Buijs

    2012-01-01

    Full Text Available Quantum chemical calculations showed to be an excellent method to predict the electrochemical window of ionic liquids with reduction-resistant anions. A good correlation between the LUMO energy and the electrochemical window is observed. Surprisingly simple but very fast semiempirical calculations are in full record with density functional theory calculations and are a very attractive tool in the design and optimization of ionic liquids for specific purposes.

  16. Accounting for many-body correlation effects in the calculation of the valence band photoelectron emission spectra of ferromagnets

    International Nuclear Information System (INIS)

    Minar, J.; Chadov, S.; Ebert, H.; Chioncel, L.; Lichtenstein, A.; De Nadai, C.; Brookes, N.B.

    2005-01-01

    The influence of dynamical correlation effects on the valence band photoelectron emission of ferromagnetic Fe, Co and Ni has been investigated. Angle-resolved as well as angle-integrated valence band photoelectron emission spectra were calculated on the basis of the one-particle Green's function, which was obtained by using the fully relativistic Korringa-Kohn-Rostoker method. The correlation effects have been included in terms of the electronic self-energy which was calculated self-consistently within Dynamical Mean-Field Theory (DMFT). In addition a theoretical approach to calculate high-energy angle-resolved valence band photoelectron emission spectra is presented

  17. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Heilmann, D.B.

    2007-02-15

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  18. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    International Nuclear Information System (INIS)

    Heilmann, D.B.

    2007-02-01

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  19. Four years of experience with the use of calculated isotopic correlations in establishing input balances at the La Hague plant

    International Nuclear Information System (INIS)

    Aries, M.; Patigny, P.; Bouchard, J.; Giacometti, A.; Girieud, R.

    1983-01-01

    For more than four years the La Hague reprocessing plant has been using calculated isotopic correlations to establish and check its input balances. The masses of uranium and plutonium entering the plant are determined by the gravimetric balance method, which utilizes the burnup obtained by calculated isotopic correlation as well as the Pu/U ratio measured at the dissolver after cross-checking with the values obtained by correlation. Further, a verification of all the parameters needed to establish these balances - whether physical or chemical in origin - is carried out systematically by means of internal coherence constants which make it possible to detect any anomalies in the dissolution data. The calculated isotopic correlations were evaluated when the analyses of numerous representative samples of irradiated fuel and experimental results of separated isotopic irradiation in water reactor spectra had been interpreted. The accuracy achieved was improved by allowing in the neutron calculations for effects inherent in the first reactor core and by selecting a set of calculation functions which attenuates (by compensation effects) the various perturbations in the irradiation history. The results obtained at La Hague with calculated isotopic correlations on nearly 600 t of reprocessed UO 2 , because of their large number and above all their high quality, suggest that it be proposed extending the method to other reprocessing plants. This could be done by the operator himself or by national or international control bodies within the framework of a safeguards arrangement. (author)

  20. Higher fetal insulin resistance in Chinese pregnant women with gestational diabetes mellitus and correlation with maternal insulin resistance.

    Directory of Open Access Journals (Sweden)

    Qiuwei Wang

    Full Text Available OBJECTIVE: The aim of this study was to determine the effect of gestational diabetes mellitus (GDM on fetal insulin resistance or β-cell function in Chinese pregnant women with GDM. MEASUREMENTS: Maternal fasting blood and venous cord blood samples (reflecting fetal condition were collected in 65 well-controlled Chinese GDM mothers (only given dietary intervention and 83 control subjects. The insulin, glucose and proinsulin concentrations of both maternal and cord blood samples were measured, and the homeostasis model assessment of insulin resistance (HOMA-IR and the proinsulin-to-insulin ratios (an indicator of fetal β-cell function were calculated in maternal and cord blood respectively. RESULTS: Both maternal and fetal levels of insulin, proinsulin and HOMA-IR but not proinsulin-to-insulin ratios were significantly higher in the GDM group than in the control group (maternal insulin, 24.8 vs. 15.4 µU/mL, P = 0.004, proinsulin, 23.3 vs. 16.2 pmol/L, P = 0.005, and HOMA-IR, 5.5 vs. 3.5, P = 0.041, respectively; fetal: insulin, 15.1 vs. 7.9 µU/mL, P<0.001, proinsulin, 25.8 vs. 15.1 pmol/L, P = 0.015, and HOMA-IR, 2.8 vs. 1.4, P = 0.017, respectively. Fetal HOMA-IR but not proinsulin-to-insulin ratios was significantly correlated to maternal HOMA-IR (r = 0.307, P = 0.019, in the pregnant women with GDM. CONCLUSIONS: Fetal insulin resistance was higher in Chinese pregnant women with GDM than control subjects, and correlated with maternal insulin resistance.

  1. Substitution Structures of Large Molecules and Medium Range Correlations in Quantum Chemistry Calculations

    Science.gov (United States)

    Evangelisti, Luca; Pate, Brooks

    2017-06-01

    A study of the minimally exciting topic of agreement between experimental and measured rotational constants of molecules was performed on a set of large molecules with 16-18 heavy atoms (carbon and oxygen). The molecules are: nootkatone (C_{15}H_{22}O), cedrol (C_{15}H_{26}O), ambroxide (C_{16}H_{28}O), sclareolide (C_{16}H_{22}O_{2}), and dihydroartemisinic acid (C_{15}H_{24}O_{2}). For this set of molecules we obtained 13C-subsitution structures for six molecules (this includes two conformers of nootkatone). A comparison of theoretical structures and experimental substitution structures was performed in the spirit of the recent work of Grimme and Steinmetz.[1] Our analysis focused the center-of-mass distance of the carbon atoms in the molecules. Four different computational methods were studied: standard DFT (B3LYP), dispersion corrected DFT (B3LYP-D3BJ), hybrid DFT with dispersion correction (B2PLYP-D3), and MP2. A significant difference in these theories is how they handle medium range correlation of electrons that produce dispersion forces. For larger molecules, these dispersion forces produce an overall contraction of the molecule around the center-of-mass. DFT poorly treats this effect and produces structures that are too expanded. MP2 calculations overestimate the correction and produce structures that are too compact. Both dispersion corrected DFT methods produce structures in excellent agreement with experiment. The analysis shows that the difference in computational methods can be described by a linear error in the center-of-mass distance. This makes it possible to correct poorer performing calculations with a single scale factor. We also reexamine the issue of the "Costain error" in substitution structures and show that it is significantly larger in these systems than in the smaller molecules used by Costain to establish the error limits. [1] Stefan Grimme and Marc Steinmetz, "Effects of London dispersion correction in density functional theory on

  2. The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.

    Science.gov (United States)

    Sylvetsky, Nitai; Kesharwani, Manoj K; Martin, Jan M L

    2017-10-07

    We have developed a new basis set family, denoted as aug-cc-pVnZ-F12 (or aVnZ-F12 for short), for explicitly correlated calculations. The sets included in this family were constructed by supplementing the corresponding cc-pVnZ-F12 sets with additional diffuse functions on the higher angular momenta (i.e., additional d-h functions on non-hydrogen atoms and p-g on hydrogen atoms), optimized for the MP2-F12 energy of the relevant atomic anions. The new basis sets have been benchmarked against electron affinities of the first- and second-row atoms, the W4-17 dataset of total atomization energies, the S66 dataset of noncovalent interactions, the Benchmark Energy and Geometry Data Base water cluster subset, and the WATER23 subset of the GMTKN24 and GMTKN30 benchmark suites. The aVnZ-F12 basis sets displayed excellent performance, not just for electron affinities but also for noncovalent interaction energies of neutral and anionic species. Appropriate CABSs (complementary auxiliary basis sets) were explored for the S66 noncovalent interaction benchmark: between similar-sized basis sets, CABSs were found to be more transferable than generally assumed.

  3. Importance of finite-temperature exchange correlation for warm dense matter calculations.

    Science.gov (United States)

    Karasiev, Valentin V; Calderín, Lázaro; Trickey, S B

    2016-06-01

    The effects of an explicit temperature dependence in the exchange correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the Karasiev-Sjostrom-Dufty-Trickey (KSDT) finite-temperature local-density approximation (TLDA) XC functional [Karasiev et al., Phys. Rev. Lett. 112, 076403 (2014)PRLTAO0031-900710.1103/PhysRevLett.112.076403] parametrized from restricted path-integral Monte Carlo data on the homogeneous electron gas (HEG) and the conventional Monte Carlo parametrization ground-state LDA XC [Perdew-Zunger (PZ)] functional evaluated with T-dependent densities. Both Kohn-Sham (KS) and orbital-free density-functional theories are used, depending upon computational resource demands. Compared to the PZ functional, the KSDT functional generally lowers the dc electrical conductivity of low-density Al, yielding improved agreement with experiment. The greatest lowering is about 15% for T=15 kK. Correspondingly, the KS band structure of low-density fcc Al from the KSDT functional exhibits a clear increase in interband separation above the Fermi level compared to the PZ bands. In some density-temperature regimes, the deuterium equations of state obtained from the two XC functionals exhibit pressure differences as large as 4% and a 6% range of differences. However, the hydrogen principal Hugoniot is insensitive to the explicit XC T dependence because of cancellation between the energy and pressure-volume work difference terms in the Rankine-Hugoniot equation. Finally, the temperature at which the HEG becomes unstable is T≥7200 K for the T-dependent XC, a result that the ground-state XC underestimates by about 1000 K.

  4. A two-phase pressure drop calculation code based on a new method with a correlation factor obtained from an assessment of existing correlations

    International Nuclear Information System (INIS)

    Chun, Moon Hyun; Oh, Jae Guen

    1989-01-01

    Ten methods of the total two-phase pressure drop prediction based on five existing models and correlations have been examined for their accuracy and applicability to pressurized water reactor conditions. These methods were tested against 209 experimental data of local and bulk boiling conditions: Each correlations were evaluated for different ranges of pressure, mass velocity and quality, and best performing models were identified for each data subsets. A computer code entitled 'K-TWOPD' has been developed to calculate the total two phase pressure drop using the best performing existing correlations for a specific property range and a correction factor to compensate for the predicted error of the selected correlations. Assessment of this code shows that the present method fits all the available data within ±11% at a 95% confidence level compared with ± 25% for the existing correlations. (Author)

  5. First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium

    DEFF Research Database (Denmark)

    Rusakov, Yury Yu; Krivdin, Leonid B.; Østerstrøm, Freja From

    2013-01-01

    This paper documents a very first example of a high-level correlated calculation of spin-spin coupling constants involving tellurium taking into account relativistic effects, vibrational corrections and solvent effects for the medium sized organotellurium molecules. The 125Te-1H spin-spin coupling...... constants of tellurophene and divinyl telluride were calculated at the SOPPA and DFT levels in a good agreement with experiment. A new full-electron basis set av3z-J for tellurium derived from the "relativistic" Dyall's basis set, dyall.av3z, and specifically optimized for the correlated calculations...... of spin-spin coupling constants involving tellurium, was developed. The SOPPA methods show much better performance as compared to 15 those of DFT, if relativistic effects calculated within the ZORA scheme are taken into account. Vibrational and solvent corrections are next to negligible, while...

  6. Fast patient-specific Monte Carlo brachytherapy dose calculations via the correlated sampling variance reduction technique

    Energy Technology Data Exchange (ETDEWEB)

    Sampson, Andrew; Le Yi; Williamson, Jeffrey F. [Department of Radiation Oncology, Virginia Commonwealth University, Richmond, Virginia 23298 (United States)

    2012-02-15

    Purpose: To demonstrate potential of correlated sampling Monte Carlo (CMC) simulation to improve the calculation efficiency for permanent seed brachytherapy (PSB) implants without loss of accuracy. Methods: CMC was implemented within an in-house MC code family (PTRAN) and used to compute 3D dose distributions for two patient cases: a clinical PSB postimplant prostate CT imaging study and a simulated post lumpectomy breast PSB implant planned on a screening dedicated breast cone-beam CT patient exam. CMC tallies the dose difference, {Delta}D, between highly correlated histories in homogeneous and heterogeneous geometries. The heterogeneous geometry histories were derived from photon collisions sampled in a geometrically identical but purely homogeneous medium geometry, by altering their particle weights to correct for bias. The prostate case consisted of 78 Model-6711 {sup 125}I seeds. The breast case consisted of 87 Model-200 {sup 103}Pd seeds embedded around a simulated lumpectomy cavity. Systematic and random errors in CMC were unfolded using low-uncertainty uncorrelated MC (UMC) as the benchmark. CMC efficiency gains, relative to UMC, were computed for all voxels, and the mean was classified in regions that received minimum doses greater than 20%, 50%, and 90% of D{sub 90}, as well as for various anatomical regions. Results: Systematic errors in CMC relative to UMC were less than 0.6% for 99% of the voxels and 0.04% for 100% of the voxels for the prostate and breast cases, respectively. For a 1 x 1 x 1 mm{sup 3} dose grid, efficiency gains were realized in all structures with 38.1- and 59.8-fold average gains within the prostate and breast clinical target volumes (CTVs), respectively. Greater than 99% of the voxels within the prostate and breast CTVs experienced an efficiency gain. Additionally, it was shown that efficiency losses were confined to low dose regions while the largest gains were located where little difference exists between the homogeneous and

  7. Submacropulse electron-beam dynamics correlated with higher-order modes in Tesla-type superconducting rf cavities

    Directory of Open Access Journals (Sweden)

    A. H. Lumpkin

    2018-06-01

    Full Text Available We report the direct observations of submacropulse beam centroid oscillations correlated with higher order modes (HOMs which were generated by off-axis electron beam steering in TESLA-type superconducting rf cavities. The experiments were performed at the Fermilab Accelerator Science and Technology (FAST facility using its unique configuration of a photocathode rf gun injecting beam into two separated nine-cell cavities in series with corrector magnets and beam position monitors (BPMs located before, between, and after them. Oscillations of ∼100  kHz in the vertical plane and ∼380  kHz in the horizontal plane with up to 600-μm amplitudes were observed in a 3-MHz micropulse repetition rate beam with charges of 100, 300, 500, and 1000  pC/b. However, the effects were much reduced at 100  pC/b. The measurements were based on HOM detector circuitry targeting the first and second dipole passbands, rf BPM bunch-by-bunch array data, imaging cameras, and a framing camera. Calculations reproduced the oscillation frequencies of the phenomena in the vertical case. In principle, these fundamental results may be scaled to cryomodule configurations of major accelerator facilities.

  8. Calculation of coulomb correlation potential in a turbulent non-ideal plasma with reduced degrees of freedom

    International Nuclear Information System (INIS)

    Dwivedi, C.B.; Bhattacharjee, M.

    1998-01-01

    A simple but reasonable physical model has been developed to find out the correlation potential in a turbulent non-ideal plasma. It is assumed that the turbulent plasma state comprises of weakly interacting pseudo particles i.e. nonlinear coherent structures like solitons with random distribution in space and time. The calculation is based on the lowest order binary interacting model of the nonlinear normal modes (pseudo particles) of the weakly correlated plasmas. Its implication in the phase transition of the correlated Coulomb gas is discussed. (author)

  9. Calculation of spin-densities within the context of density functional theory. The crucial role of the correlation functional

    NARCIS (Netherlands)

    Filatov, M; Cremer, D

    2005-01-01

    It is demonstrated that the LYP correlation functional is not suited to be used for the calculation of electron spin resonance hyperfine structure (HFS) constants, nuclear magnetic resonance spin-spin coupling constants, magnetic, shieldings and other properties that require a balanced account of

  10. Application of the Bowring correlation for calculating the critical heat flux

    International Nuclear Information System (INIS)

    Borges, R.C.; Freitas, R.L.

    1986-01-01

    The evaluation of the critical heat flux is of great importance for the nuclear reactor project, because it permits the verification of the safety margin with respect to fuel rod damage. This work presents a comparison of the original critical heat flux correlation proposed by Bowring with an alternative form derived from it presented in several papers. Very different results have been encountered from the application of the two correlation forms. Therefore, a criterious choice of the correlation form must be done avoid the violation of the project's safety margin. (Author) [pt

  11. Calculation of Wakefields and Higher Order Modes for the Vacuum Chamber of the ATLAS Experiment for the HL-LHC

    CERN Document Server

    Wanzenberg, R

    2013-01-01

    A design study for a High Luminosity Large Hadron Collider (HL-LHC) was started to extend the discovery potential of the Large Hadron Collider (LHC). The HL-LHC study implies also an upgraded configuration of the ATLAS detector with a new beam pipe. The trapped Higher Order Modes (HOMs) and the short range wakefields for the new design of the vacuum chamber are calculated using the computer codes MAFIA and ECHO2D. The short range wakefields are characterized in terms of kick and loss parameters. For the HOMs the frequency the R/Q and the Q-values are given which can directly converted into impedance data. The obtained data are intended to be included into the impedance database of the HL-LHC.

  12. The correlation function for density perturbations in an expanding universe. III The three-point and predictions of the four-point and higher order correlation functions

    Science.gov (United States)

    Mcclelland, J.; Silk, J.

    1978-01-01

    Higher-order correlation functions for the large-scale distribution of galaxies in space are investigated. It is demonstrated that the three-point correlation function observed by Peebles and Groth (1975) is not consistent with a distribution of perturbations that at present are randomly distributed in space. The two-point correlation function is shown to be independent of how the perturbations are distributed spatially, and a model of clustered perturbations is developed which incorporates a nonuniform perturbation distribution and which explains the three-point correlation function. A model with hierarchical perturbations incorporating the same nonuniform distribution is also constructed; it is found that this model also explains the three-point correlation function, but predicts different results for the four-point and higher-order correlation functions than does the model with clustered perturbations. It is suggested that the model of hierarchical perturbations might be explained by the single assumption of having density fluctuations or discrete objects all of the same mass randomly placed at some initial epoch.

  13. Reaction plane angle dependence of dihadron azimuthal correlations from a multiphase transport model calculation

    International Nuclear Information System (INIS)

    Li, W.; Zhang, S.; Ma, Y. G.; Cai, X. Z.; Chen, J. H.; Ma, G. L.; Zhong, C.; Huang, H. Z.

    2009-01-01

    Dihadron azimuthal angle correlations relative to the reaction plane have been investigated in Au+Au collisions at √(s NN )=200 GeV using a multiphase transport model (AMPT). Such reaction plane azimuthal-angle-dependent correlations can shed light on the path-length effect of energy loss of high-transverse-momentum particles propagating through a hot dense medium. The correlations vary with the trigger particle azimuthal angle with respect to the reaction plane direction, φ s =φ T -Ψ EP , which is consistent with the experimental observation by the STAR Collaboration. The dihadron azimuthal angle correlation functions on the away side of the trigger particle present a distinct evolution from a single-peak to a broad, possibly double-peak structure when the trigger particle direction goes from in-plane to out-of-plane with the reaction plane. The away-side angular correlation functions are asymmetric with respect to the back-to-back direction in some regions of φ s , which could provide insight into the testing v 1 method for reconstructing the reaction plane. In addition, both the root-mean-square width (W rms ) of the away-side correlation distribution and the splitting parameter (D) between the away-side double peaks increase slightly with φ s , and the average transverse momentum of away-side-associated hadrons shows a strong φ s dependence. Our results indicate that a strong parton cascade and resultant energy loss could play an important role in the appearance of a double-peak structure in the dihadron azimuthal angular correlation function on the away side of the trigger particle.

  14. Statistical mechanical calculations of molecular pair correlation functions and scattering intensities

    International Nuclear Information System (INIS)

    Bertagnolli, H.

    1978-01-01

    For the case of special molecular models representing the acetonitrile molecule the expansion coefficients of the molecular par distribution function are calculated by use of pertubation theory. These results are used to get theoretical access to scattering intensities in the frame of several approximations. The first model describes the molecule by three hard spheres and uses a hard sphere liquid as reference. In the second cast the calculations are based on an anisotropic Lennard-Jones potential by application of a model of overlapping ellipsoids and by use of a Lennard-Jones liquid as a reference system. In the third model dipolar attractive forces are taken into account with an anisotropic hard-sphere liquid as a reference. In the third model dipolar attractive forces are taken into account with an anisotropic hard-sphere liquid as a reference. Finally all the calculations with different intermolecular potentials are compared with neutron scattering experiments. (orig.) 891 HK [de

  15. Correlation electron cyclotron emission diagnostic and improved calculation of turbulent temperature fluctuation levels on ASDEX Upgrade

    Science.gov (United States)

    Creely, A. J.; Freethy, S. J.; Burke, W. M.; Conway, G. D.; Leccacorvi, R.; Parkin, W. C.; Terry, D. R.; White, A. E.

    2018-05-01

    A newly upgraded correlation electron cyclotron emission (CECE) diagnostic has been installed on the ASDEX Upgrade tokamak and has begun to perform experimental measurements of electron temperature fluctuations. CECE diagnostics measure small amplitude electron temperature fluctuations by correlating closely spaced heterodyne radiometer channels. This upgrade expanded the system from six channels to thirty, allowing simultaneous measurement of fluctuation level radial profiles without repeat discharges, as well as opening up the possibility of measuring radial turbulent correlation lengths. Newly refined statistical techniques have been developed in order to accurately analyze the fluctuation data collected from the CECE system. This paper presents the hardware upgrades for this system and the analysis techniques used to interpret the raw data, as well as measurements of fluctuation spectra and fluctuation level radial profiles.

  16. Diversification of Financing Mechanisms for Higher Education and Correlation with the Social Dimension – Major Objectives for European Policies

    OpenAIRE

    Duca Ioana; Postole Mirela-Anca; Ciobanasu Marilena

    2014-01-01

    The scientific steps taken by the authors emphasize the importance of higher education financing by the diversification of financing sources and their correlation with the social dimension. Besides the analysis of the social dimension concept, the research also approaches its application by opening the opportunities offer for more members of society to be involved in the higher education system. Furthermore the authors of the research present some financing models, pointing out the performanc...

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

    Science.gov (United States)

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

    2016-12-13

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

  18. Relativistic configuration-interaction calculation of the correlation energies of heliumlike ions. Revision 1

    International Nuclear Information System (INIS)

    Cheng, K.T.; Chen, M.H.; Johnson, W.R.

    1994-04-01

    A new relativistic configuration-interaction (CI) method using B-spline basis functions has been developed to study the correlation energies of two-electron heliumlike ions. Based on the relativistic no-pair Hamiltonian, the CI equation leads to a symmetric eigenvalue problem involving large, dense matrices. Davidson's method is used to obtain the lowest few eigenenergies and eigenfunctions. Results on transition energies and finite structure splittings for heliumlike ions are in very good agreement with experiment throughout the periodic table

  19. Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties

    International Nuclear Information System (INIS)

    Johansson, B.; Rosengren, A.

    1975-01-01

    A ''generalized'' phase diagram is constructed empirically for the lanthanides. This diagram makes it possible, not only in one picture, to assemble a lot of information but also to predict phase transitions not yet experimentally accessible. Further, it clearly illustrates the close relation between the members of the lanthanide group. To account for some of its features, the pseudopotential method is applied. The trend in crystal structure through the lanthanide series can thereby be qualitatively accounted for, as can the trend in crystal structure for an individual element, when compressed. A scaling procedure makes it possible to extend the treatment to elements neighboring the lanthanides in the Periodic Table. In total 25 elements are considered. An atomic parameter f (relatable to the pseudopotential) is introduced, by means of which different phase transitions, both for an individual rare-earth element and intra-rare-earth alloys, can be correlated to certain critical values of this parameter. A nonmagnetic rare-earth series (Sc, Lu, Y, La, and Ac) is introduced and the occurrence of superconductivity is discussed with special emphasis on the pressure dependence of the transition temperature. This temperature can be correlated to the above-mentioned parameter f, both for intra-rare-earth alloys and pure elements at different pressures. The correlation implies that actinium is a superconductor with a critical temperature which could be as high as (11--12) degree K

  20. It Effectiveness and Flexibility versus Strategic Alignment: Assessing the Correlative Effects in Higher Education

    Science.gov (United States)

    Burke, Michael F.

    2011-01-01

    Fiscal challenges are forcing institutions of higher education to do more with less, while retaining the quality of service that the institution has established. The net result is that these institutions need to prepare themselves to achieve a sustained competitive advantage. In business, the focus has been on strategic alignment of IT to provide…

  1. Higher genus correlators for the hermitian matrix model with multiple cuts

    International Nuclear Information System (INIS)

    Akemann, G.

    1996-01-01

    An iterative scheme is set up for solving the loop equation of the hermitian one-matrix model with a multi-cut structure. Explicit results are presented for genus one for an arbitrary but finite number of cuts. Due to the complicated form of the boundary conditions, the loop correlators now contain elliptic integrals. This demonstrates the existence of new universality classes for the hermitian matrix model. The two-cut solution is investigated in more detail, including the double scaling limit. It is shown that in special cases it differs from the known continuum solution with one cut. (orig.)

  2. Efficient SPECT scatter calculation in non-uniform media using correlated Monte Carlo simulation

    International Nuclear Information System (INIS)

    Beekman, F.J.

    1999-01-01

    Accurate simulation of scatter in projection data of single photon emission computed tomography (SPECT) is computationally extremely demanding for activity distribution in non-uniform dense media. This paper suggests how the computation time and memory requirements can be significantly reduced. First the scatter projection of a uniform dense object (P SDSE ) is calculated using a previously developed accurate and fast method which includes all orders of scatter (slab-derived scatter estimation), and then P SDSE is transformed towards the desired projection P which is based on the non-uniform object. The transform of P SDSE is based on two first-order Compton scatter Monte Carlo (MC) simulated projections. One is based on the uniform object (P u ) and the other on the object with non-uniformities (P ν ). P is estimated by P-tilde=P SDSE P ν /P u . A tremendous decrease in noise in P-tilde is achieved by tracking photon paths for P ν identical to those which were tracked for the calculation of P u and by using analytical rather than stochastic modelling of the collimator. The method was validated by comparing the results with standard MC-simulated scatter projections (P) of 99m Tc and 201 Tl point sources in a digital thorax phantom. After correction, excellent agreement was obtained between P-tilde and P. The total computation time required to calculate an accurate scatter projection of an extended distribution in a thorax phantom on a PC is a only few tens of seconds per projection, which makes the method attractive for application in accurate scatter correction in clinical SPECT. Furthermore, the method removes the need of excessive computer memory involved with previously proposed 3D model-based scatter correction methods. (author)

  3. Correlation between calculated molecular descriptors of excipient amino acids and experimentally observed thermal stability of lysozyme

    DEFF Research Database (Denmark)

    Meng-Lund, Helena; Friis, Natascha; van de Weert, Marco

    2017-01-01

    for lysozyme in combination with 13 different amino acids using high throughput fluorescence spectroscopy and kinetic static light scattering measurements. On the theoretical side, around 200 2D and 3D molecular descriptors were calculated based on the amino acids' chemical structure. Multivariate data...... prominent stabilizing factor for both responses, whereas hydrophilic surface properties and high molecular mass density mostly had a positive influence on the unfolding temperature. A high partition coefficient (logP(o/w)) was identified as the most prominent destabilizing factor for both responses...

  4. Hotspot detection using image pattern recognition based on higher-order local auto-correlation

    Science.gov (United States)

    Maeda, Shimon; Matsunawa, Tetsuaki; Ogawa, Ryuji; Ichikawa, Hirotaka; Takahata, Kazuhiro; Miyairi, Masahiro; Kotani, Toshiya; Nojima, Shigeki; Tanaka, Satoshi; Nakagawa, Kei; Saito, Tamaki; Mimotogi, Shoji; Inoue, Soichi; Nosato, Hirokazu; Sakanashi, Hidenori; Kobayashi, Takumi; Murakawa, Masahiro; Higuchi, Tetsuya; Takahashi, Eiichi; Otsu, Nobuyuki

    2011-04-01

    Below 40nm design node, systematic variation due to lithography must be taken into consideration during the early stage of design. So far, litho-aware design using lithography simulation models has been widely applied to assure that designs are printed on silicon without any error. However, the lithography simulation approach is very time consuming, and under time-to-market pressure, repetitive redesign by this approach may result in the missing of the market window. This paper proposes a fast hotspot detection support method by flexible and intelligent vision system image pattern recognition based on Higher-Order Local Autocorrelation. Our method learns the geometrical properties of the given design data without any defects as normal patterns, and automatically detects the design patterns with hotspots from the test data as abnormal patterns. The Higher-Order Local Autocorrelation method can extract features from the graphic image of design pattern, and computational cost of the extraction is constant regardless of the number of design pattern polygons. This approach can reduce turnaround time (TAT) dramatically only on 1CPU, compared with the conventional simulation-based approach, and by distributed processing, this has proven to deliver linear scalability with each additional CPU.

  5. Keldysh meets Lindblad: Correlated Gain and Loss in Higher Order Perturbation Theory

    Science.gov (United States)

    Stace, Tom; Mueller, Clemens

    Motivated by correlated decay processes driving gain, loss and lasing in driven artificial quantum systems, we develop a theoretical technique using Keldysh diagrammatic perturbation theory to derive a Lindblad master equation that goes beyond the usual second order perturbation theory. We demonstrate the method on the driven dissipative Rabi model, including terms up to fourth order in the interaction between the qubit and both the resonator and environment. This results in a large class of Lindblad dissipators and associated rates which go beyond the terms that have previously been proposed to describe similar systems. All of the additional terms contribute to the system behaviour at the same order of perturbation theory. We then apply these results to analyse the phonon-assisted steady-state gain of a microwave field driving a double quantum-dot in a resonator. We show that resonator gain and loss are substantially affected by dephasing- assisted dissipative processes in the quantum-dot system. These additional processes, which go beyond recently proposed polaronic theories, are in good quantitative agreement with experimental observations.

  6. Photodissociation of OCS: deviations between theory and experiment, and the importance of higher order correlation effects.

    Science.gov (United States)

    Schmidt, J A; Olsen, J M H

    2014-11-14

    The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2(1)A' (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1(1)A″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO.

  7. Photodissociation of OCS: Deviations between theory and experiment, and the importance of higher order correlation effects

    International Nuclear Information System (INIS)

    Schmidt, J. A.; Olsen, J. M. H.

    2014-01-01

    The photodissociation of carbonyl sulfide (OCS) was investigated theoretically in a series of studies by Schmidt and co-workers. Initial studies [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 136, 131101 (2012); J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] found photodissociation in the first UV-band to occur mainly by excitation of the 2 1 A ′ (A) excited state. However, in a later study [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] it was found that a significant fraction of photodissociation must occur by excitation of 1 1 A ″ (B) excited state to explain the product angular distribution. The branching between excitation of the A and B excited states is determined by the magnitude of the transition dipole moment vectors in the Franck-Condon region. This study examines the sensitivity of these quantities to changes in the employed electronic structure methodology. This study benchmarks the methodology employed in previous studies against highly correlated electronic structure methods (CC3 and MRAQCC) and provide evidence in support of the picture of the OCS photodissociation process presented in [G. C. McBane, J. A. Schmidt, M. S. Johnson, and R. Schinke, J. Chem. Phys. 138, 094314 (2013)] showing that excitation of A and B electronic states both contribute significantly to the first UV absorption band of OCS. In addition, this study presents evidence in support of the assertion that the A state potential energy surface employed in previous studies underestimates the energy at highly bent geometries (γ ∼ 70°) leading to overestimated rotational energy in the product CO

  8. Subcooled boiling heat transfer correlation to calculate the effects of dissolved gas in a liquid

    International Nuclear Information System (INIS)

    Zarkasi, Amin S.; Chao, W.W.; Kunze, Jay F.

    2004-01-01

    The water coolant in most operating power reactor systems is kept free of dissolved gas, so as to minimize corrosion. However, in most research reactors, which operate at temperatures below 70 deg. C, and between 1 and 5 atm. pressure, the dissolved gas remains present in the water coolant system during operation. This dissolved gas can have a significant effect during accident conditions (i.e. a LOCA), when the fluid quickly reaches boiling, coincident with flow stagnation and subsequent flow reversal. A benchmark experiment was conducted, with an electrically heated, closed loop channel, modeling a research reactor fuel coolant channels (2 mm thick). The results showed 'boiling (bubble) noise' occurring before wall temperatures reached saturation, and a significant increase (up to 50%) in the heat transfer coefficient in the subcooled boiling region when in the presence of dissolved gas, compared to degassed water. Since power reactors do not involve dissolved gas, the RELAP safety analysis code does not include any provisions for the effect of dissolved gas on heat transfer. In this work, the effects of the dissolved gas are evaluated for inclusion in the RELAP code, including provision for initiating 'nucleate boiling' at a lower temperature, and a provision for enhancing the heat transfer coefficient during the subcooled boiling region. Instead of relying on Chen's correlation alone, a modification of the superposition method of Bjorge was adopted. (author)

  9. Experimental research of pressure drop in packed beds of monosized spheres a novel correlation for pressure drop calculation

    Directory of Open Access Journals (Sweden)

    Stamenić Mirjana S.

    2017-01-01

    Full Text Available Flow through packed beds of spheres is a complex phenomenon and it has been extensively studied. Although, there is many different correlations there is still no reliable universal equation for prediction of pressure drop. The paper presents the results of experimental research of pressure drop in packed bed of monosized spheres of three different diameters, 8, 11, and 13 mm set within cylindrical vessel of diameter dk = 74 mm, and two different heights of packed bed, hs = 300 and 400 mm. It has been proposed modification of widely used Ergun’s equation in the form of fp = [150+1.3•(Rep/(1-ε]•(1-ε2/(ε3×Rep and new correlation fp = 1/[(27.4-25700•dh/Rep+0.545+6.85•dh] for pressure drop calculation in simple and convenient form for hand and computer calculations. For total number of 362 experimental runs the correlation ratio of the modified Ergun’s relation was CR = 99.3%, and standard deviation SD = 12.2%, while novel relation has CR = 93.7% and SD = 5.4%. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. 33049

  10. SNPexp - A web tool for calculating and visualizing correlation between HapMap genotypes and gene expression levels

    Directory of Open Access Journals (Sweden)

    Franke Andre

    2010-12-01

    Full Text Available Abstract Background Expression levels for 47294 transcripts in lymphoblastoid cell lines from all 270 HapMap phase II individuals, and genotypes (both HapMap phase II and III of 3.96 million single nucleotide polymorphisms (SNPs in the same individuals are publicly available. We aimed to generate a user-friendly web based tool for visualization of the correlation between SNP genotypes within a specified genomic region and a gene of interest, which is also well-known as an expression quantitative trait locus (eQTL analysis. Results SNPexp is implemented as a server-side script, and publicly available on this website: http://tinyurl.com/snpexp. Correlation between genotype and transcript expression levels are calculated by performing linear regression and the Wald test as implemented in PLINK and visualized using the UCSC Genome Browser. Validation of SNPexp using previously published eQTLs yielded comparable results. Conclusions SNPexp provides a convenient and platform-independent way to calculate and visualize the correlation between HapMap genotypes within a specified genetic region anywhere in the genome and gene expression levels. This allows for investigation of both cis and trans effects. The web interface and utilization of publicly available and widely used software resources makes it an attractive supplement to more advanced bioinformatic tools. For the advanced user the program can be used on a local computer on custom datasets.

  11. Higher-Order Scheme-Independent Calculations of Physical Quantities in the Conformal Phase of a Gauge Theory

    DEFF Research Database (Denmark)

    Ryttov, Thomas A.; Shrock, Robert

    2017-01-01

    , adjoint, and symmetric rank-2 tensor representation are considered. We present scheme-independent calculations of the anomalous dimension $\\gamma_{\\bar\\psi\\psi,IR}$ to $O(\\Delta_f^4)$ and $\\beta'_{IR}$ to $O(\\Delta_f^5)$ at this IRFP, where $\\Delta_f$ is an $N_f$-dependent expansion parameter. Comparisons...... are made with conventional $n$-loop calculations and lattice measurements. As a test of the accuracy of the $\\Delta_f$ expansion, we calculate $\\gamma_{\\bar\\psi\\psi,IR}$ to $O(\\Delta_f^3)$ in ${\\cal N}=1$ SU($N_c$) supersymmetric quantum chromodynamics and find complete agreement, to this order...

  12. 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

  13. Bentonite swelling pressure in strong NaCl solutions. Correlation of model calculations to experimentally determined data

    International Nuclear Information System (INIS)

    Karnland, O.

    1998-01-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed. This report discusses a number of models which possibly can be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved model predicts a substantial bentonite swelling pressure also in a saturated sodium chloride solution if the density of the system is sufficiently high. This means in practice that the buffer in a KBS-3 repository will give rise to an acceptable swelling pressure, but that the positive effects of mixing bentonite into a backfill material will be lost if the system is exposed to brines. (orig.)

  14. Bentonite swelling pressure in strong NaCl solutions. Correlation between model calculations and experimentally determined data

    Energy Technology Data Exchange (ETDEWEB)

    Karnland, O. [Clay Technology, Lund (Sweden)

    1997-12-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed by different researchers over the years. The present report examines some of the models which possibly may be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved thermodynamic model predicts substantial bentonite swelling pressures also in saturated sodium chloride solution if the density of the system is high enough. In practice, the model predicts a substantial swelling pressure for the buffer in a KBS-3 repository if the system is exposed to brines, but the positive effects of mixing bentonite into a backfill material will be lost, since the available compaction technique does not give a sufficiently high bentonite density 37 refs, 15 figs

  15. Bentonite swelling pressure in strong NaCl solutions. Correlation of model calculations to experimentally determined data

    Energy Technology Data Exchange (ETDEWEB)

    Karnland, O. [Clay Technology, Lund (Sweden)

    1998-01-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed. This report discusses a number of models which possibly can be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved model predicts a substantial bentonite swelling pressure also in a saturated sodium chloride solution if the density of the system is sufficiently high. This means in practice that the buffer in a KBS-3 repository will give rise to an acceptable swelling pressure, but that the positive effects of mixing bentonite into a backfill material will be lost if the system is exposed to brines. (orig.). 14 refs.

  16. Bentonite swelling pressure in strong NaCl solutions. Correlation between model calculations and experimentally determined data

    International Nuclear Information System (INIS)

    Karnland, O.

    1997-12-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed by different researchers over the years. The present report examines some of the models which possibly may be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved thermodynamic model predicts substantial bentonite swelling pressures also in saturated sodium chloride solution if the density of the system is high enough. In practice, the model predicts a substantial swelling pressure for the buffer in a KBS-3 repository if the system is exposed to brines, but the positive effects of mixing bentonite into a backfill material will be lost, since the available compaction technique does not give a sufficiently high bentonite density

  17. Higher HOMA-IR index and correlated factors of insulin resistance in patients with IgA nephropathy.

    Science.gov (United States)

    Yang, Yue; Wei, Ri-Bao; Wang, Yuan-da; Zhang, Xue-Guang; Rong, Na; Tang, Li; Chen, Xiang-Mei

    2012-11-01

    To investigate the index of homeostasis model of insulin resistance (HOMA-IR) in IgA nephropathy (IgAN) patients, and to explore the possible correlated factors contributing to insulin resistance (IR) within these patients. There were 255 IgAN patients and 45 membranous nephropathy (MN) patients in our database. We identified 89 IgAN subjects and 21 MN subjects without diabetes and undergoing glucocorticoid therapy for at least 6 months. Data regarding physical examination, blood chemistry and renal pathology were collected from 89 IgAN subjects and 21 MN subjects. Then 62 IgAN patients and 19 MN patients with chronic kidney disease (CKD) Stage 1 - 2 were selected for the comparison of HOMA-IR index, 89 IgAN patients were selected for multiple regression analysis to test for correlated factors of HOMA-IR index with IgAN patients. Comparison between IgAN and MN show that HOMA-IR index was significantly higher in IgAN patients with CKD Stage 1 - 2. After logarithmic transformation with urine protein (UPr), Ln(UPr) (b = 0.186, p = 0.008), eGFR (b = -0.005, p = 0.014), > 50% of glomeruli with mesangial hypercellularity (b = 0.285, p = 0.027) and body mass index (BMI) (b = 0.039, p = 0.008) were correlated factors of HOMA-IR index in the multiple regression analysis. IgAN patients had higher HOMA-IR index compared with MN in the stages of CKD 1 - 2. For IgAN patients, more UPr, lower eGFR, > 50% of glomeruli with mesangial hypercellularity and higher BMI were correlated with IR.

  18. Deep Learning Predicts Correlation between a Functional Signature of Higher Visual Areas and Sparse Firing of Neurons

    Directory of Open Access Journals (Sweden)

    Chengxu Zhuang

    2017-10-01

    Full Text Available Visual information in the visual cortex is processed in a hierarchical manner. Recent studies show that higher visual areas, such as V2, V3, and V4, respond more vigorously to images with naturalistic higher-order statistics than to images lacking them. This property is a functional signature of higher areas, as it is much weaker or even absent in the primary visual cortex (V1. However, the mechanism underlying this signature remains elusive. We studied this problem using computational models. In several typical hierarchical visual models including the AlexNet, VggNet, and SHMAX, this signature was found to be prominent in higher layers but much weaker in lower layers. By changing both the model structure and experimental settings, we found that the signature strongly correlated with sparse firing of units in higher layers but not with any other factors, including model structure, training algorithm (supervised or unsupervised, receptive field size, and property of training stimuli. The results suggest an important role of sparse neuronal activity underlying this special feature of higher visual areas.

  19. Evaluation of exchange-correlation functionals for time-dependent density functional theory calculations on metal complexes.

    Science.gov (United States)

    Holland, Jason P; Green, Jennifer C

    2010-04-15

    The electronic absorption spectra of a range of copper and zinc complexes have been simulated by using time-dependent density functional theory (TD-DFT) calculations implemented in Gaussian03. In total, 41 exchange-correlation (XC) functionals including first-, second-, and third-generation (meta-generalized gradient approximation) DFT methods were compared in their ability to predict the experimental electronic absorption spectra. Both pure and hybrid DFT methods were tested and differences between restricted and unrestricted calculations were also investigated by comparison of analogous neutral zinc(II) and copper(II) complexes. TD-DFT calculated spectra were optimized with respect to the experimental electronic absorption spectra by use of a Matlab script. Direct comparison of the performance of each XC functional was achieved both qualitatively and quantitatively by comparison of optimized half-band widths, root-mean-squared errors (RMSE), energy scaling factors (epsilon(SF)), and overall quality-of-fit (Q(F)) parameters. Hybrid DFT methods were found to outperform all pure DFT functionals with B1LYP, B97-2, B97-1, X3LYP, and B98 functionals providing the highest quantitative and qualitative accuracy in both restricted and unrestricted systems. Of the functionals tested, B1LYP gave the most accurate results with both average RMSE and overall Q(F) 0.990) for the copper complexes. The XC functional performance in spin-restricted TD-DFT calculations on the zinc complexes was found to be slightly worse. PBE1PBE, mPW1PW91 and B1LYP gave the most accurate results with typical RMSE and Q(F) values between 5.3 and 7.3%, and epsilon(SF) around 0.930. These studies illustrate the power of modern TD-DFT calculations for exploring excited state transitions of metal complexes. 2009 Wiley Periodicals, Inc.

  20. SCHEMA computational design of virus capsid chimeras: calibrating how genome packaging, protection, and transduction correlate with calculated structural disruption.

    Science.gov (United States)

    Ho, Michelle L; Adler, Benjamin A; Torre, Michael L; Silberg, Jonathan J; Suh, Junghae

    2013-12-20

    Adeno-associated virus (AAV) recombination can result in chimeric capsid protein subunits whose ability to assemble into an oligomeric capsid, package a genome, and transduce cells depends on the inheritance of sequence from different AAV parents. To develop quantitative design principles for guiding site-directed recombination of AAV capsids, we have examined how capsid structural perturbations predicted by the SCHEMA algorithm correlate with experimental measurements of disruption in seventeen chimeric capsid proteins. In our small chimera population, created by recombining AAV serotypes 2 and 4, we found that protection of viral genomes and cellular transduction were inversely related to calculated disruption of the capsid structure. Interestingly, however, we did not observe a correlation between genome packaging and calculated structural disruption; a majority of the chimeric capsid proteins formed at least partially assembled capsids and more than half packaged genomes, including those with the highest SCHEMA disruption. These results suggest that the sequence space accessed by recombination of divergent AAV serotypes is rich in capsid chimeras that assemble into 60-mer capsids and package viral genomes. Overall, the SCHEMA algorithm may be useful for delineating quantitative design principles to guide the creation of libraries enriched in genome-protecting virus nanoparticles that can effectively transduce cells. Such improvements to the virus design process may help advance not only gene therapy applications but also other bionanotechnologies dependent upon the development of viruses with new sequences and functions.

  1. Separable projection integrals for higher-order correlators of the cosmic microwave sky: Acceleration by factors exceeding 100

    Energy Technology Data Exchange (ETDEWEB)

    Briggs, J.P., E-mail: jb914@cam.ac.uk [Department of Applied Mathematics and Theoretical Physics, University of Cambridge (United Kingdom); Pennycook, S.J. [Intel Corporation (United Kingdom); Fergusson, J.R.; Jäykkä, J.; Shellard, E.P.S. [Department of Applied Mathematics and Theoretical Physics, University of Cambridge (United Kingdom)

    2016-04-01

    We present a case study describing efforts to optimise and modernise “Modal”, the simulation and analysis pipeline used by the Planck satellite experiment for constraining general non-Gaussian models of the early universe via the bispectrum (or three-point correlator) of the cosmic microwave background radiation. We focus on one particular element of the code: the projection of bispectra from the end of inflation to the spherical shell at decoupling, which defines the CMB we observe today. This code involves a three-dimensional inner product between two functions, one of which requires an integral, on a non-rectangular domain containing a sparse grid. We show that by employing separable methods this calculation can be reduced to a one-dimensional summation plus two integrations, reducing the overall dimensionality from four to three. The introduction of separable functions also solves the issue of the non-rectangular sparse grid. This separable method can become unstable in certain scenarios and so the slower non-separable integral must be calculated instead. We present a discussion of the optimisation of both approaches. We demonstrate significant speed-ups of ≈100×, arising from a combination of algorithmic improvements and architecture-aware optimisations targeted at improving thread and vectorisation behaviour. The resulting MPI/OpenMP hybrid code is capable of executing on clusters containing processors and/or coprocessors, with strong-scaling efficiency of 98.6% on up to 16 nodes. We find that a single coprocessor outperforms two processor sockets by a factor of 1.3× and that running the same code across a combination of both microarchitectures improves performance-per-node by a factor of 3.38×. By making bispectrum calculations competitive with those for the power spectrum (or two-point correlator) we are now able to consider joint analysis for cosmological science exploitation of new data.

  2. Calculation of higher order radiation corrections to beta decay of hyperons in the Glashow-Weinberg-Salam theory

    International Nuclear Information System (INIS)

    Margaritisz, Tanaszisz

    1984-01-01

    The Glashow-Weinberg-Salam theory of unified electromagnetic and weak interactions, believed to be the correct quantum theory of these interactions, possesses the great advantage of being renormable. Thus the perturbation theory is applicable to calculate the radiative corrections of the tree-graph results. The present paper describes the detailed calculation of one-loop corrections to beta decay of hyperons. After defining the theory and fixing the gauge and renormalization conventions, the equations of weak and electromagnetic one-loop corrections are derived. Numerical evaluation of the equations was helped by algebraic and integrator computer codes. The results are directly comparable to experimental data. (D.Gy.)

  3. The calculation of the chemical exergies of coal-based fuels by using the higher heating values

    International Nuclear Information System (INIS)

    Bilgen, Selcuk; Kaygusuz, Kamil

    2008-01-01

    This paper demonstrates the application of exergy to gain a better understanding of coal properties, especially chemical exergy and specific chemical exergy. In this study, a BASIC computer program was used to calculation of the chemical exergies of the coal-based fuels. Calculations showed that the chemical composition of the coal influences strongly the values of the chemical exergy. The exergy value of a coal is closely related to the H:C and O:C ratios. High proportions of hydrogen and/or oxygen, compared to carbon, generally reduce the exergy value of the coal. High contents of the moisture and/or the ash cause to low values of the chemical exergy. The aim of this paper is to calculate the chemical exergy of coals by using equations given in the literature and to detect and to evaluate quantitatively the effect of irreversible phenomena increased the thermodynamic imperfection of the processes. In this paper, the calculated exergy values of the fuels will be useful for energy experts studied in the coal mining area and coal-fired powerplants

  4. Adaption of the temporal correlation coefficient calculation for temporal networks (applied to a real-world pig trade network).

    Science.gov (United States)

    Büttner, Kathrin; Salau, Jennifer; Krieter, Joachim

    2016-01-01

    The average topological overlap of two graphs of two consecutive time steps measures the amount of changes in the edge configuration between the two snapshots. This value has to be zero if the edge configuration changes completely and one if the two consecutive graphs are identical. Current methods depend on the number of nodes in the network or on the maximal number of connected nodes in the consecutive time steps. In the first case, this methodology breaks down if there are nodes with no edges. In the second case, it fails if the maximal number of active nodes is larger than the maximal number of connected nodes. In the following, an adaption of the calculation of the temporal correlation coefficient and of the topological overlap of the graph between two consecutive time steps is presented, which shows the expected behaviour mentioned above. The newly proposed adaption uses the maximal number of active nodes, i.e. the number of nodes with at least one edge, for the calculation of the topological overlap. The three methods were compared with the help of vivid example networks to reveal the differences between the proposed notations. Furthermore, these three calculation methods were applied to a real-world network of animal movements in order to detect influences of the network structure on the outcome of the different methods.

  5. A program for the Calculation of the Correlated Colour Temperature. Application for Characterising Colour Changes in Glasses

    International Nuclear Information System (INIS)

    Garcia Rosillo, F.; Balenzategui, J. L.

    2000-01-01

    The purpose of this work is to present a program for the calculation of the Correlated Colour Temperature (CCT) of any source of radiation. The methodology of calculating the colour coordinates and the corresponding CCT value of any light source is briefly reviewed. Sample program codes, including one to obtain the colour candidatures of blackbody radiators at different temperatures, have been also Ust ed. This will allow to engineers and researchers to calculate and to obtain adequate solutions for their own illuminance problems. As an application example, the change in CCT values and colour coordinates of a reference spectrum when passing through semitransparent solar photovoltaic modules designed for building integration applications has been studied. This is used to evaluate the influence on the visual comfort of the building inner rooms. Several samples of different glass models used as covers in photovoltaic modules have been tested. Results show that all the samples tested do not modify substantially the initial characteristics of the sunlight, as otherwise expected. (Author) 5 refs

  6. Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions.

    Science.gov (United States)

    Nakano, Masahiko; Yoshikawa, Takeshi; Hirata, So; Seino, Junji; Nakai, Hiromi

    2017-11-05

    We have implemented a linear-scaling divide-and-conquer (DC)-based higher-order coupled-cluster (CC) and Møller-Plesset perturbation theories (MPPT) as well as their combinations automatically by means of the tensor contraction engine, which is a computerized symbolic algebra system. The DC-based energy expressions of the standard CC and MPPT methods and the CC methods augmented with a perturbation correction were proposed for up to high excitation orders [e.g., CCSDTQ, MP4, and CCSD(2) TQ ]. The numerical assessment for hydrogen halide chains, polyene chains, and first coordination sphere (C1) model of photoactive yellow protein has revealed that the DC-based correlation methods provide reliable correlation energies with significantly less computational cost than that of the conventional implementations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  7. Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. II. A simplified implementation.

    Science.gov (United States)

    Tao, Guohua; Miller, William H

    2012-09-28

    An efficient time-dependent (TD) Monte Carlo (MC) importance sampling method has recently been developed [G. Tao and W. H. Miller, J. Chem. Phys. 135, 024104 (2011)] for the evaluation of time correlation functions using the semiclassical (SC) initial value representation (IVR) methodology. In this TD-SC-IVR method, the MC sampling uses information from both time-evolved phase points as well as their initial values, and only the "important" trajectories are sampled frequently. Even though the TD-SC-IVR was shown in some benchmark examples to be much more efficient than the traditional time-independent sampling method (which uses only initial conditions), the calculation of the SC prefactor-which is computationally expensive, especially for large systems-is still required for accepted trajectories. In the present work, we present an approximate implementation of the TD-SC-IVR method that is completely prefactor-free; it gives the time correlation function as a classical-like magnitude function multiplied by a phase function. Application of this approach to flux-flux correlation functions (which yield reaction rate constants) for the benchmark H + H(2) system shows very good agreement with exact quantum results. Limitations of the approximate approach are also discussed.

  8. Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium

    Science.gov (United States)

    Han, Jeong-Hwan; Oda, Takuji

    2018-04-01

    The performance of exchange-correlation functionals in density-functional theory (DFT) calculations for liquid metal has not been sufficiently examined. In the present study, benchmark tests of Perdew-Burke-Ernzerhof (PBE), Armiento-Mattsson 2005 (AM05), PBE re-parameterized for solids, and local density approximation (LDA) functionals are conducted for liquid sodium. The pair correlation function, equilibrium atomic volume, bulk modulus, and relative enthalpy are evaluated at 600 K and 1000 K. Compared with the available experimental data, the errors range from -11.2% to 0.0% for the atomic volume, from -5.2% to 22.0% for the bulk modulus, and from -3.5% to 2.5% for the relative enthalpy depending on the DFT functional. The generalized gradient approximation functionals are superior to the LDA functional, and the PBE and AM05 functionals exhibit the best performance. In addition, we assess whether the error tendency in liquid simulations is comparable to that in solid simulations, which would suggest that the atomic volume and relative enthalpy performances are comparable between solid and liquid states but that the bulk modulus performance is not. These benchmark test results indicate that the results of liquid simulations are significantly dependent on the exchange-correlation functional and that the DFT functional performance in solid simulations can be used to roughly estimate the performance in liquid simulations.

  9. Combining higher-order resummation with multiple NLO calculations and parton showers in the Geneva Monte Carlo framework

    International Nuclear Information System (INIS)

    Alioli, Simone; Bauer, Christian W.; Berggren, Calvin; Vermilion, Christopher K.; Walsh, Jonathan R.; Zuberi, Saba; Hornig, Andrew; Tackmann, Frank J.

    2013-05-01

    We discuss the GENEVA Monte Carlo framework, which combines higher-order resummation (NNLL) of large Sudakov logarithms with multiple next-to-leading-order (NLO) matrix-element corrections and parton showering (using PYTHIA 8) to give a complete description at the next higher perturbative accuracy in α s at both small and large jet resolution scales. Results for e + e - →jets compared to LEP data and pp→(Z/γ * →l + l - )+jets are presented.

  10. Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

    Energy Technology Data Exchange (ETDEWEB)

    Křístková, Anežka; Malkin, Vladimir G. [Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84536 Bratislava (Slovakia); Komorovsky, Stanislav; Repisky, Michal [Centre for Theoretical and Computational Chemistry, University of Tromsø - The Arctic University of Norway, N-9037 Tromsø (Norway); Malkina, Olga L., E-mail: olga.malkin@savba.sk [Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84536 Bratislava (Slovakia); Department of Inorganic Chemistry, Comenius University, Bratislava (Slovakia)

    2015-03-21

    In this work, we report on the development and implementation of a new scheme for efficient calculation of indirect nuclear spin-spin couplings in the framework of four-component matrix Dirac-Kohn-Sham approach termed matrix Dirac-Kohn-Sham restricted magnetic balance resolution of identity for J and K, which takes advantage of the previous restricted magnetic balance formalism and the density fitting approach for the rapid evaluation of density functional theory exchange-correlation response kernels. The new approach is aimed to speedup the bottleneck in the solution of the coupled perturbed equations: evaluation of the matrix elements of the kernel of the exchange-correlation potential. The performance of the new scheme has been tested on a representative set of indirect nuclear spin-spin couplings. The obtained results have been compared with the corresponding results of the reference method with traditional evaluation of the exchange-correlation kernel, i.e., without employing the fitted electron densities. Overall good agreement between both methods was observed, though the new approach tends to give values by about 4%-5% higher than the reference method. On the average, the solution of the coupled perturbed equations with the new scheme is about 8.5 times faster compared to the reference method.

  11. Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

    International Nuclear Information System (INIS)

    Křístková, Anežka; Malkin, Vladimir G.; Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.

    2015-01-01

    In this work, we report on the development and implementation of a new scheme for efficient calculation of indirect nuclear spin-spin couplings in the framework of four-component matrix Dirac-Kohn-Sham approach termed matrix Dirac-Kohn-Sham restricted magnetic balance resolution of identity for J and K, which takes advantage of the previous restricted magnetic balance formalism and the density fitting approach for the rapid evaluation of density functional theory exchange-correlation response kernels. The new approach is aimed to speedup the bottleneck in the solution of the coupled perturbed equations: evaluation of the matrix elements of the kernel of the exchange-correlation potential. The performance of the new scheme has been tested on a representative set of indirect nuclear spin-spin couplings. The obtained results have been compared with the corresponding results of the reference method with traditional evaluation of the exchange-correlation kernel, i.e., without employing the fitted electron densities. Overall good agreement between both methods was observed, though the new approach tends to give values by about 4%-5% higher than the reference method. On the average, the solution of the coupled perturbed equations with the new scheme is about 8.5 times faster compared to the reference method

  12. Calculation of radiation field integrals for higher-order basis functions in conical thin wire MoM formulation

    CSIR Research Space (South Africa)

    Lysko, AA

    2008-07-01

    Full Text Available stream_source_info LyskoA_2008.pdf.txt stream_content_type text/plain stream_size 24096 Content-Encoding UTF-8 stream_name LyskoA_2008.pdf.txt Content-Type text/plain; charset=UTF-8 On Calculation of Radiation Field... recursive manner. The speed performance of a Matlab implementation indicates that the presented method is favorable compared to the commercial software “WIPL-D” used as a reference. Key-Words: - antenna radiation patterns, moment methods, numerical...

  13. Nonempirical electron-correlation calculations on ALik and Alik+1+ clusters formed with elements from the second and third periods

    International Nuclear Information System (INIS)

    Mebel', A.M.; Klimenko, N.M.; Charkin, O.P.

    1988-01-01

    Several basic sets have been used (from 3-21 G A * to DZHD + P A ) with electron correlation in the Meller-Plesset MP3 approximation in nonempirical calculations on ALi k+1 + and ALi K+1 + lithium clusters (CLi 2 , CLi 3 + , NLi 3 , NLi 4 + , OLi 2 , OLi 3 + , etc.) formed with elements from the second and third periods in the lowest singlet states. A study has been made on the effects of the approximation on the results. Several reference systems are used to show that the SCF/3-21G A * approximation describes the lithide geometry satisfactorily, while MP3/DZHD + P A gives a satisfactory description of the affinity of Ali k for Li + . These approximations have been taken as optimal for calculations on the other compounds. The Li + affinities are highest for NLi 3 and PLi 3 (90 and 84 kcal correspondingly) and decrease as A varies along the subgroups from the second to the third and the lower sp periods, as well as when A varies in each period from the middle to the start or end. The affinities of the analogous compounds for Na + are less by 5-10 kcal than those for Li + . The values are compared with the proton affinities for the related hydrides AK k

  14. The Positron-Electron Correlation Energy In ZnO Calculated With The Modified Single Wave Function Of Positron

    International Nuclear Information System (INIS)

    Chau Van Tao; Trinh Hoa Lang; Le Hoang Chien; Nguyen Huu Loc; Nguyen Anh Tuan

    2011-01-01

    Positron-electron correlation energy of the ZnO - positron system is studied on assumption that positron binds with the outer shell electrons of Zinc and Oxygen to form the pseudo ZnO - positron molecule before it annihilates with one of these electrons. In this work, the single wave function for positron is form by LCAO approximation and is modified according to the principle of linear superposition, and by using Variational Quantum Monte Carlo method (VQMC) [7] the correlation energy of this system is estimated with the value E c e-p = - 9.3 ± 1.1 eV. In the theoretical aspect it turns out that this result is more reasonable and closer to those of other methods [3] than the one which is done without modifying the wave function of positron [1]. To confirm this legitimate approach, however, the further calculations of positron annihilation rate in ZnO have to be carried out in our next work. (author)

  15. A scheme to calculate higher-order homogenization as applied to micro-acoustic boundary value problems

    Science.gov (United States)

    Vagh, Hardik A.; Baghai-Wadji, Alireza

    2008-12-01

    Current technological challenges in materials science and high-tech device industry require the solution of boundary value problems (BVPs) involving regions of various scales, e.g. multiple thin layers, fibre-reinforced composites, and nano/micro pores. In most cases straightforward application of standard variational techniques to BVPs of practical relevance necessarily leads to unsatisfactorily ill-conditioned analytical and/or numerical results. To remedy the computational challenges associated with sub-sectional heterogeneities various sophisticated homogenization techniques need to be employed. Homogenization refers to the systematic process of smoothing out the sub-structural heterogeneities, leading to the determination of effective constitutive coefficients. Ordinarily, homogenization involves a sophisticated averaging and asymptotic order analysis to obtain solutions. In the majority of the cases only zero-order terms are constructed due to the complexity of the processes involved. In this paper we propose a constructive scheme for obtaining homogenized solutions involving higher order terms, and thus, guaranteeing higher accuracy and greater robustness of the numerical results. We present

  16. Calculation of Wakefields and Higher Order Modes for the New Design of the Vacuum Chamber of the ALICE Experiment for the HL-LHC

    CERN Document Server

    Wanzenberg, Rainer; CERN. Geneva. ATS Department

    2016-01-01

    The High Luminosity Large Hadron Collider (HL-LHC) project was started with the goal to extend the discovery potential of the Large Hadron Collider (LHC). The HL-LHC study implies also an upgraded dimensions of the ALICE beam pipe. The trapped monopole and dipole Higher Order Modes (HOMs) and the short range wakefields for the new design of the ALICE vacuum chamber were calculated with help of the computer codes MAFIA and ECHO2D. The results of the short range wakefields calculations and the HOMs calculations for the ALICE vacuum chamber with new dimensions are presented in this report. The short range wakefields are presented in terms of longitudinal and transverse wake potentials and also in terms of loss and kick parameters. The frequency, the loss parameter, the R/Q and the Qvalues and also power loss parameters are presented as result of the HOMs calculations and can be converted into impedance values.

  17. On γ5 in higher-order QCD calculations and the NNLO evolution of the polarized valence distribution

    International Nuclear Information System (INIS)

    Moch, S.; Vogt, A.

    2015-06-01

    We discuss the prescription for the Dirac matrix γ 5 in dimensional regularization used in most second- and third-order QCD calculations of collider cross sections. We provide an alternative implementation of this approach that avoids the use of an explicit form of γ 5 and of its (anti-) commutation relations in the most important case of no more than one γ 5 in each fermion trace. This treatment is checked by computing the third-order corrections to the structure functions F 2 and g 1 in charged-current deep-inelastic scattering with axial-vector couplings to the W-bosons. We derive the so far unknown third-order helicity-difference splitting function ΔP ns (2)s that contributes to the next-to-next-to-leading order (NNLO) evolution of the polarized valence quark distribution of the nucleon. This function is negligible at momentum fractions x>or similar 0.3 but relevant at x<<1.

  18. Benchmark calculations with correlated molecular wave functions. IX. The weakly bound complexes Ar - H2 and Ar - HCl

    International Nuclear Information System (INIS)

    Woon, D.E.; Peterson, K.A.; Dunning, T.H. Jr.

    1998-01-01

    The interaction of Ar with H 2 and HCl has been studied using Moeller - Plesset perturbation theory (MP2, MP3, MP4) and coupled-cluster [CCSD, CCSD(T)] methods with augmented correlation consistent basis sets. Basis sets as large as triply augmented quadruple zeta quality were used to investigate the convergence trends. Interaction energies were determined using the supermolecule approach with the counterpoise correction to account for basis set superposition error. Comparison with the available empirical potentials finds excellent agreement for both binding energies and transition state. For Ar - H 2 , the estimated complete basis set (CBS) limits for the binding energies of the two equivalent minima and the connecting transition state (TS) are, respectively, 55 and 47cm -1 at the MP4 level and 54 and 46cm -1 at the CCSD(T) level, respectively [the XC(fit) empirical potential of Bissonnette et al. [J. Chem. Phys. 105, 2639 (1996)] yields 56.6 and 47.8cm -1 for H 2 (v=0)]. The estimated CBS limits for the binding energies of the two minima and transition state of Ar - HCl are 185, 155, and 109cm -1 at the MP4 level and 176, 147, and 105cm -1 at the CCSD(T) level, respectively [the H6(4,3,0) empirical potential of Hutson [J. Phys. Chem. 96, 4237 (1992)] yields 176.0, 148.3, and 103.3cm -1 for HCl (v=0)]. Basis sets containing diffuse functions of (dfg) symmetries were found to be essential for accurately modeling these two complexes, which are largely bound by dispersion and induction forces. Highly correlated wave functions were also required for accurate results. This was found to be particularly true for ArHCl, where significant differences in calculated binding energies were observed between MP2, MP4, and CCSD(T). copyright 1998 American Institute of Physics

  19. Librarian co-authors correlated with higher quality reported search strategies in general internal medicine systematic reviews.

    Science.gov (United States)

    Rethlefsen, Melissa L; Farrell, Ann M; Osterhaus Trzasko, Leah C; Brigham, Tara J

    2015-06-01

    To determine whether librarian and information specialist authorship was associated with better reported systematic review (SR) search quality. SRs from high-impact general internal medicine journals were reviewed for search quality characteristics and reporting quality by independent reviewers using three instruments, including a checklist of Institute of Medicine Recommended Standards for the Search Process and a scored modification of the Peer Review of Electronic Search Strategies instrument. The level of librarian and information specialist participation was significantly associated with search reproducibility from reported search strategies (Χ(2) = 23.5; P Librarian co-authored SRs had significantly higher odds of meeting 8 of 13 analyzed search standards than those with no librarian participation and six more than those with mentioned librarian participation. One-way ANOVA showed that differences in total search quality scores between all three groups were statistically significant (F2,267 = 10.1233; P librarian or information specialist co-authors are correlated with significantly higher quality reported search strategies. To minimize bias in SRs, authors and editors could encourage librarian engagement in SRs including authorship as a potential way to help improve documentation of the search strategy. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Treating sub-valence correlation effects in domain based pair natural orbital coupled cluster calculations: an out-of-the-box approach

    KAUST Repository

    Bistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A.; Neese, Frank

    2017-01-01

    The validity of the main approximations used in canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) in standard chemical applications is discussed. In particular, we investigate the dependence of the results on the number of electrons included in the correlation treatment in frozen-core (FC) calculations and on the main threshold governing the accuracy of DLPNO all-electron (AE) calculations. Initially, scalar relativistic orbital energies for the ground state of the atoms from Li to Rn in the periodic table are calculated. An energy criterion is applied for determining the orbitals that can be excluded from the correlation treatment in FC coupled cluster calculations without significant loss of accuracy. The heterolytic dissociation energy (HDE) of a series of metal compounds (LiF, NaF, AlF3, CaF2, CuF, GaF3, YF3, AgF, InF3, HfF4 and AuF) is calculated at the canonical CCSD(T) level, and the dependence of the results on the number of correlated electrons is investigated. Although for many of the studied reactions sub-valence correlation effects contribute significantly to the HDE, the use of an energy criterion permits a conservative definition of the size of the core, allowing FC calculations to be performed in a black-box fashion while retaining chemical accuracy. A comparison of the CCSD and the DLPNO-CCSD methods in describing the core-core, core-valence and valence-valence components of the correlation energy is given. It is found that more conservative thresholds must be used for electron pairs containing at least one core electron in order to achieve high accuracy in AE DLPNO-CCSD calculations relative to FC calculations. With the new settings, the DLPNO-CCSD method reproduces canonical CCSD results in both AE and FC calculations with the same accuracy.

  1. Treating sub-valence correlation effects in domain based pair natural orbital coupled cluster calculations: an out-of-the-box approach

    KAUST Repository

    Bistoni, Giovanni

    2017-06-12

    The validity of the main approximations used in canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) in standard chemical applications is discussed. In particular, we investigate the dependence of the results on the number of electrons included in the correlation treatment in frozen-core (FC) calculations and on the main threshold governing the accuracy of DLPNO all-electron (AE) calculations. Initially, scalar relativistic orbital energies for the ground state of the atoms from Li to Rn in the periodic table are calculated. An energy criterion is applied for determining the orbitals that can be excluded from the correlation treatment in FC coupled cluster calculations without significant loss of accuracy. The heterolytic dissociation energy (HDE) of a series of metal compounds (LiF, NaF, AlF3, CaF2, CuF, GaF3, YF3, AgF, InF3, HfF4 and AuF) is calculated at the canonical CCSD(T) level, and the dependence of the results on the number of correlated electrons is investigated. Although for many of the studied reactions sub-valence correlation effects contribute significantly to the HDE, the use of an energy criterion permits a conservative definition of the size of the core, allowing FC calculations to be performed in a black-box fashion while retaining chemical accuracy. A comparison of the CCSD and the DLPNO-CCSD methods in describing the core-core, core-valence and valence-valence components of the correlation energy is given. It is found that more conservative thresholds must be used for electron pairs containing at least one core electron in order to achieve high accuracy in AE DLPNO-CCSD calculations relative to FC calculations. With the new settings, the DLPNO-CCSD method reproduces canonical CCSD results in both AE and FC calculations with the same accuracy.

  2. Increased Tumor Necrosis Factor (TNF)-α and Its Promoter Polymorphisms Correlate with Disease Progression and Higher Susceptibility towards Vitiligo

    Science.gov (United States)

    Laddha, Naresh C.; Dwivedi, Mitesh; Begum, Rasheedunnisa

    2012-01-01

    Abstract Tumor Necrosis Factor (TNF)-α, is a paracrine inhibitor of melanocytes, which plays a critical role in the pathogenesis of several autoimmune diseases including vitiligo, as abnormal immune responses have frequently been observed in vitiligo patients. Moreover, vitiligo patients show higher lesion levels of TNF-α. Genetic polymorphisms in the promoter region of TNF-α are involved in the regulation of its expression. The present study explores TNF-α promoter polymorphisms and correlates them with TNF-α transcript and protein levels in vitiligo patients and controls of Gujarat along with its effect on disease onset and progression. PCR-RFLP technique was used for genotyping of these polymorphisms in 977 vitiligo patients and 990 controls. TNF-α transcript and protein levels were measured by Real time PCR and ELISA respectively. The genotype and allele frequencies for the investigated polymorphisms were significantly associated with vitiligo patients. The study revealed significant increase in TNF-α transcript and protein levels in vitiligo patients compared to controls. In particular, haplotypes: AATCC, AACCT, AGTCT, GATCT, GATCC and AGCCT were found to increase the TNF-α levels in vitiligo patients. Analysis of TNF-α levels based on the gender and disease progression suggests that female patients and patients with active vitiligo had higher levels of TNF-α. Also, the TNF-α levels were high in patients with generalized vitiligo as compared to localized vitiligo. Age of onset analysis of the disease suggests that the haplotypes: AACAT, AACCT, AATCC and AATCT had a profound effect in the early onset of the disease. Moreover, the analysis suggests that female patients had an early onset of vitiligo. Overall, our results suggest that TNF-α promoter polymorphisms may be genetic risk factors for susceptibility and progression of the disease. The up-regulation of TNF-α transcript and protein levels in individuals with susceptible haplotypes advocates

  3. Classification of criticality calculations with correlation coefficient method and its application to OECD/NEA burnup credit benchmarks phase III-A and II-A

    International Nuclear Information System (INIS)

    Okuno, Hiroshi

    2003-01-01

    A method for classifying benchmark results of criticality calculations according to similarity was proposed in this paper. After formulation of the method utilizing correlation coefficients, it was applied to burnup credit criticality benchmarks Phase III-A and II-A, which were conducted by the Expert Group on Burnup Credit Criticality Safety under auspices of the Nuclear Energy Agency of the Organisation for Economic Cooperation and Development (OECD/NEA). Phase III-A benchmark was a series of criticality calculations for irradiated Boiling Water Reactor (BWR) fuel assemblies, whereas Phase II-A benchmark was a suite of criticality calculations for irradiated Pressurized Water Reactor (PWR) fuel pins. These benchmark problems and their results were summarized. The correlation coefficients were calculated and sets of benchmark calculation results were classified according to the criterion that the values of the correlation coefficients were no less than 0.15 for Phase III-A and 0.10 for Phase II-A benchmarks. When a couple of benchmark calculation results belonged to the same group, one calculation result was found predictable from the other. An example was shown for each of the Benchmarks. While the evaluated nuclear data seemed the main factor for the classification, further investigations were required for finding other factors. (author)

  4. Comparison of two methods for calculating the mean vascularization index of ovarian stroma on the basis of spatio-temporal image correlation high-definition flow technology.

    Science.gov (United States)

    Kudla, Marek J; Kandzia, Tomasz; Alcázar, Juan Luis

    2013-11-01

    The aim of our study was to determine the agreement between two different methods for calculating the mean vascularization index (VI) of ovarian stroma using spatio-temporal image correlation-high definition flow (STIC-HDF) technology. Stored 4-D STIC-HDF volume data for ovaries of 34 premenopausal women were assessed retrospectively. We calculated the mean VI from the VI values derived for each 3-D volume within the STIC sequence. Then, the examiner subjectively selected the two volumes with the highest and lowest color signals, respectively. We averaged these two values. Agreement between VI measurements was estimated by calculating intra-class correlation coefficients. The intra-class correlation coefficient for the VI was 0.999 (95% confidence interval: 0.999-1.000). The mean time needed to calculate the mean VI using the entire 4-D STIC sequence was significantly longer than the mean time needed to calculate the average value from the volumes with the highest and lowest color signals determined by the operator (p < 0001). We conclude that there is significant agreement between the two methods. Calculating the average VI from the highest and lowest values is less time consuming than calculating the mean VI from the complete STIC sequence. Copyright © 2013 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

  5. PERL-2 and LAVR-2 programs for Monte Carlo calculation of reactivity disturbances with trajectory correlation using random numbers

    International Nuclear Information System (INIS)

    Kamaeva, O.B.; Polevoj, V.B.

    1983-01-01

    Realization of BESM-6 computer of a technique is described for calculating a wide class of reactivity disturbances by plotting trajectories in undisturbed and disturbed systems using one sequence of random numbers. The technique was realized on the base of earlier created programs of calculation of widespreed (PERL) and local (LAVR) reactivity disturbances. The efficiency of the technique and programs is demonstrated by calculation of change of effective neutron-multiplication factor when absorber is substituted for fuel element in a BFS-40 critical assembly and by calculation of control drum characteristics

  6. Ab initio calculations of the Fe(II) and Fe(III) isotopic effects in citrates, nicotianamine, and phytosiderophore, and new Fe isotopic measurements in higher plants

    Science.gov (United States)

    Moynier, Frédéric; Fujii, Toshiyuki; Wang, Kun; Foriel, Julien

    2013-05-01

    Iron is one of the most abundant transition metal in higher plants and variations in its isotopic compositions can be used to trace its utilization. In order to better understand the effect of plant-induced isotopic fractionation on the global Fe cycling, we have estimated by quantum chemical calculations the magnitude of the isotopic fractionation between different Fe species relevant to the transport and storage of Fe in higher plants: Fe(II)-citrate, Fe(III)-citrate, Fe(II)-nicotianamine, and Fe(III)-phytosiderophore. The ab initio calculations show firstly, that Fe(II)-nicotianamine is ˜3‰ (56Fe/54Fe) isotopically lighter than Fe(III)-phytosiderophore; secondly, even in the absence of redox changes of Fe, change in the speciation alone can create up to ˜1.5‰ isotopic fractionation. For example, Fe(III)-phytosiderophore is up to 1.5‰ heavier than Fe(III)-citrate2 and Fe(II)-nicotianamine is up to 1‰ heavier than Fe(II)-citrate. In addition, in order to better understand the Fe isotopic fractionation between different plant components, we have analyzed the iron isotopic composition of different organs (roots, seeds, germinated seeds, leaves and stems) from six species of higher plants: the dicot lentil (Lens culinaris), and the graminaceous monocots Virginia wild rye (Elymus virginicus), Johnsongrass (Sorghum halepense), Kentucky bluegrass (Poa pratensis), river oat (Uniola latifolia), and Indian goosegrass (Eleusine indica). The calculations may explain that the roots of strategy-II plants (Fe(III)-phytosiderophore) are isotopically heavier (by about 1‰ for the δ56Fe) than the upper parts of the plants (Fe transported as Fe(III)-citrate in the xylem or Fe(II)-nicotianamine in the phloem). In addition, we suggest that the isotopic variations observed between younger and older leaves could be explained by mixing of Fe received from the xylem and the phloem.

  7. Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

    DEFF Research Database (Denmark)

    Enevoldsen, Thomas; Oddershede, Jens; Sauer, Stephan P. A.

    1998-01-01

    We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled-cluster sing...

  8. Measurement of the correlation between elliptic flow and higher-order flow harmonics in Pb+Pb collisions at $\\sqrt{s_{_{\\mathrm{NN}}}}$=2.76 TeV

    CERN Document Server

    The ATLAS collaboration

    2014-01-01

    Correlations between the elliptic flow coefficient, $v_2$, and higher-order flow harmonics, $v_3$, $v_4$ and $v_5$ are measured using 7 $\\mu$b$^{-1}$ of Pb+Pb collision data at $\\sqrt{s_{_{\\mathrm{NN}}}}=2.76$ TeV collected by the ATLAS experiment at the LHC. The $v_2$-$v_n$ correlations are measured as a function of centrality, and, for events within the same centrality interval, also as a function of event ellipticity. The results are compared to initial-state eccentricities calculated from initial geometry models. The $v_2$-$v_n$ correlations within a given centrality interval are very different from the $v_2$-$v_n$ correlations as a function of centrality. For events within the same centrality interval, $v_3$ is found to be anti-correlated with $v_2$ and this anti-correlation is compatible with similar anti-correlations between the corresponding eccentricities $\\epsilon_2$ and $\\epsilon_3$. On the other hand, the $v_4$ and $v_5$ are found to increase strongly with $v_2$. The trend and strength of the $v_2...

  9. Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories

    International Nuclear Information System (INIS)

    Nakatsuji, H.

    1979-01-01

    The SAC and SAC CI theories are formulated for actual calculations of singlet ground states and their excited states of arbitrary spin multiplicity. Approximations are considered for the variational methods since time-consuming terms are involved. The results of test calculations for singlet states have shown, with much smaller numbers of variables (sizes of the matrices involved), excellent agreement with the full CI and close-to-full CI results. This shows the utility of the SAC theory for ground states and especially of the SAC CI theory for excited states, since the slow convergence of the CI theory is much more critical for excited states than for ground states. (Auth.)

  10. Electron correlation in molecules: concurrent computation Many-Body Perturbation Theory (ccMBPT) calculations using macrotasking on the NEC SX-3/44 computer

    International Nuclear Information System (INIS)

    Moncrieff, D.; Wilson, S.

    1992-06-01

    The ab initio determination of the electronic structure of molecules is a many-fermion problem involving the approximate description of the motion of the electrons in the field of fixed nuclei. It is an area of research which demands considerable computational resources but having enormous potential in fields as diverse as interstellar chemistry and drug design, catalysis and solid state chemistry, molecular biology and environmental chemistry. Electronic structure calculations almost invariably divide into two main stages: the approximate solution of an independent electron model, in which each electron moves in the average field created by the other electrons in the system, and then, the more computationally demanding determination of a series of corrections to this model, the electron correlation effects. The many-body perturbation theory expansion affords a systematic description of correlation effects, which leads directly to algorithms which are suitable for concurrent computation. We term this concurrent computation Many-Body Perturbation Theory (ccMBPT). The use of a dynamic load balancing technique on the NEC SX-3/44 computer in electron correlation calculations is investigated for the calculation of the most demanding energy component in the most accurate of contemporary ab initio studies. An application to the ground state of the nitrogen molecule is described. We also briefly discuss the extent to which the calculation of the dominant corrections to such studies can be rendered computationally tractable by exploiting both the vector processing and parallel processor capabilities of the NEC SX-3/44 computer. (author)

  11. Toward calculations of the 129Xe chemical shift in Xe@C60 at experimental conditions: Relativity, correlation, and dynamics

    Czech Academy of Sciences Publication Activity Database

    Straka, Michal; Lantto, P.; Vaara, J.

    2008-01-01

    Roč. 112, č. 12 (2008), s. 2658-2668 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR * theoretical calculations * role of dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.871, year: 2008

  12. Electronic structure and magnetic properties of Pr-Co intermetallics: ab initio FP-LAPW calculations and correlation with experiments

    Science.gov (United States)

    Bakkari, Karim; Fersi, Riadh; Kebir Hlil, El; Bessais, Lotfi; Thabet Mliki, Najeh

    2018-03-01

    First-principle calculations combining density functional theory and the full-potential linearized augmented plane wave (FP-LAPW) method are performed to investigate the electronic and magnetic structure of Pr2Co7 in its two polymorphic forms, (2:7 H) and (2:7 R), for the first time. This type of calculation was also performed for PrCo5 and PrCo2 intermetallics. We have computed the valence density of states separately for spin-up and spin-down states in order to investigate the electronic band structure. This is governed by the strong contribution of the partial DOS of 3d-Co bands compared to the partial DOS of the 4f-Pr bands. Such a high ferromagnetic state is discussed in terms of the strong spin polarization observed in the total DOS. The magnetic moments carried by the Co and Pr atoms located in several sites for all compounds are computed. These results mainly indicate that cobalt atoms make a dominant contribution to the magnetic moments. The notable difference in the atomic moments of Pr and Co atoms between different structural slabs is explained in terms of the magnetic characteristics of the PrCo2 and PrCo5 compounds and the local chemical environments of the Pr and Co atoms in different structural slabs of Pr2Co7. From spin-polarized calculations we have simulated the 3d and 4f band population to estimate the local magnetic moments. These results are in accordance with the magnetic moments calculated using the FP-LAPW method. In addition, the exchange interactions J ij are calculated and used as input for M(T) simulations. Involving the data obtained from the electronic structure calculations, the appropriate Padé Table is applied to simulate the magnetization M(T) and to estimate the mean-field Curie temperature. We report a fairly good agreement between the ab initio calculation of magnetization and Curie temperature with the experimental data.

  13. Infections after shoulder arthroplasty are correlated with higher anesthetic risk score: a case-control study in Brazil

    Directory of Open Access Journals (Sweden)

    Leonardo Hideto Nagaya

    2017-11-01

    Conclusion: This study provides evidence suggesting that patient-related known factors such as higher ASA score predisposes to shoulder arthroplasty-associated infection. Furthermore, unusual pathogens associated with PSI were identified.

  14. Dose calculation for photon-emitting brachytherapy sources with average energy higher than 50 keV: report of the AAPM and ESTRO.

    Science.gov (United States)

    Perez-Calatayud, Jose; Ballester, Facundo; Das, Rupak K; Dewerd, Larry A; Ibbott, Geoffrey S; Meigooni, Ali S; Ouhib, Zoubir; Rivard, Mark J; Sloboda, Ron S; Williamson, Jeffrey F

    2012-05-01

    Recommendations of the American Association of Physicists in Medicine (AAPM) and the European Society for Radiotherapy and Oncology (ESTRO) on dose calculations for high-energy (average energy higher than 50 keV) photon-emitting brachytherapy sources are presented, including the physical characteristics of specific (192)Ir, (137)Cs, and (60)Co source models. This report has been prepared by the High Energy Brachytherapy Source Dosimetry (HEBD) Working Group. This report includes considerations in the application of the TG-43U1 formalism to high-energy photon-emitting sources with particular attention to phantom size effects, interpolation accuracy dependence on dose calculation grid size, and dosimetry parameter dependence on source active length. Consensus datasets for commercially available high-energy photon sources are provided, along with recommended methods for evaluating these datasets. Recommendations on dosimetry characterization methods, mainly using experimental procedures and Monte Carlo, are established and discussed. Also included are methodological recommendations on detector choice, detector energy response characterization and phantom materials, and measurement specification methodology. Uncertainty analyses are discussed and recommendations for high-energy sources without consensus datasets are given. Recommended consensus datasets for high-energy sources have been derived for sources that were commercially available as of January 2010. Data are presented according to the AAPM TG-43U1 formalism, with modified interpolation and extrapolation techniques of the AAPM TG-43U1S1 report for the 2D anisotropy function and radial dose function.

  15. Towards efficient ab initio calculations of electron scattering by polyatomic molecules: III. Modelling correlation-polarization interactions

    Czech Academy of Sciences Publication Activity Database

    Čurík, Roman; Šulc, M.

    2010-01-01

    Roč. 43, č. 17 (2010), s. 175205 ISSN 0953-4075 R&D Projects: GA MŠk(CZ) OC10046; GA MŠk OC09079; GA AV ČR KJB400400803; GA ČR GA202/08/0631 Institutional research plan: CEZ:AV0Z40400503 Keywords : Ab initio calculations * Commonly used * DFT potential Subject RIV: CF - Physical ; The oretical Chemistry Impact factor: 1.902, year: 2010

  16. Further evidence for the fifth higher trait of personality pathology: a correlation study using normal and disordered personality measures.

    Science.gov (United States)

    Chai, Hao; Xu, Shaofang; Zhu, Junpeng; Chen, Wanzhen; Xu, You; He, Wei; Wang, Wei

    2012-12-30

    Studies between disordered personality and the Big-Five or the Alternative Five-Factor model of normal personality have consistently shown four higher traits. The fifth higher trait, relating to Openness to Experience or Impulsive Sensation Seeking was less supported. The culture-free Nonverbal Personality Questionnaire (NPQ) might help us to characterise the fifth higher trait. We therefore tried the Dimensional Assessment of Personality Pathology (DAPP), the NEO-Personality Inventory-Revised (NEO-PI-R), the Zuckerman-Kuhlman Personality Questionnaire (ZKPQ) and the NPQ in 253 healthy participants. Our results yielded five factors, four of which resembled the previous ones. The fifth one, namely Peculiarity Seeking, was defined by NPQ and NEO-PI-R Openness to Experience, ZKPQ Impulsive Sensation Seeking and DAPP Stimulus Seeking. Whether the fifth factor is linked to the schizotypal personality disorder as proposed remains unanswered. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  17. Thinner regions of intracranial aneurysm wall correlate with regions of higher wall shear stress: a 7.0 tesla MRI

    Science.gov (United States)

    Blankena, Roos; Kleinloog, Rachel; Verweij, Bon H.; van Ooij, Pim; ten Haken, Bennie; Luijten, Peter R.; Rinkel, Gabriel J.E.; Zwanenburg, Jaco J.M.

    2016-01-01

    Purpose To develop a method for semi-quantitative wall thickness assessment on in vivo 7.0 tesla (7T) MRI images of intracranial aneurysms for studying the relation between apparent aneurysm wall thickness and wall shear stress. Materials and Methods Wall thickness was analyzed in 11 unruptured aneurysms in 9 patients, who underwent 7T MRI with a TSE based vessel wall sequence (0.8 mm isotropic resolution). A custom analysis program determined the in vivo aneurysm wall intensities, which were normalized to signal of nearby brain tissue and were used as measure for apparent wall thickness (AWT). Spatial wall thickness variation was determined as the interquartile range in AWT (the middle 50% of the AWT range). Wall shear stress was determined using phase contrast MRI (0.5 mm isotropic resolution). We performed visual and statistical comparisons (Pearson’s correlation) to study the relation between wall thickness and wall shear stress. Results 3D colored AWT maps of the aneurysms showed spatial AWT variation, which ranged from 0.07 to 0.53, with a mean variation of 0.22 (a variation of 1.0 roughly means a wall thickness variation of one voxel (0.8mm)). In all aneurysms, AWT was inversely related to WSS (mean correlation coefficient −0.35, P<0.05). Conclusions A method was developed to measure the wall thickness semi-quantitatively, using 7T MRI. An inverse correlation between wall shear stress and AWT was determined. In future studies, this non-invasive method can be used to assess spatial wall thickness variation in relation to pathophysiologic processes such as aneurysm growth and –rupture. PMID:26892986

  18. O(. cap alpha. sub(S))/sup 2/ calculation of energy-energy correlation in e/sup +/e/sup -/ annihilation and comparison with experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Ali, A [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany, F.R.); Barreiro, F [Gesamthochschule Siegen (Germany, F.R.)

    1982-12-02

    We report, in the framework of quantum chromodynamics, an order ..cap alpha..sub(s)/sup 2/ calculation for the energy-energy correlation and the related asymmetry distribution in e/sup +/e/sup -/ annihilation. The normalized distributions are found to be stable and the correction to normalization moderate. The data from PETRA and PEP are analyzed and the QCD scale parameter ..lambda.. is determined. Effects due to the quark and gluon fragmentation are also discussed.

  19. Effect of Task-Correlated Physiological Fluctuations and Motion in 2D and 3D Echo-Planar Imaging in a Higher Cognitive Level fMRI Paradigm.

    Science.gov (United States)

    Ladstein, Jarle; Evensmoen, Hallvard R; Håberg, Asta K; Kristoffersen, Anders; Goa, Pål E

    2016-01-01

    To compare 2D and 3D echo-planar imaging (EPI) in a higher cognitive level fMRI paradigm. In particular, to study the link between the presence of task-correlated physiological fluctuations and motion and the fMRI contrast estimates from either 2D EPI or 3D EPI datasets, with and without adding nuisance regressors to the model. A signal model in the presence of partly task-correlated fluctuations is derived, and predictions for contrast estimates with and without nuisance regressors are made. Thirty-one healthy volunteers were scanned using 2D EPI and 3D EPI during a virtual environmental learning paradigm. In a subgroup of 7 subjects, heart rate and respiration were logged, and the correlation with the paradigm was evaluated. FMRI analysis was performed using models with and without nuisance regressors. Differences in the mean contrast estimates were investigated by analysis-of-variance using Subject, Sequence, Day, and Run as factors. The distributions of group level contrast estimates were compared. Partially task-correlated fluctuations in respiration, heart rate and motion were observed. Statistically significant differences were found in the mean contrast estimates between the 2D EPI and 3D EPI when using a model without nuisance regressors. The inclusion of nuisance regressors for cardiorespiratory effects and motion reduced the difference to a statistically non-significant level. Furthermore, the contrast estimate values shifted more when including nuisance regressors for 3D EPI compared to 2D EPI. The results are consistent with 3D EPI having a higher sensitivity to fluctuations compared to 2D EPI. In the presence partially task-correlated physiological fluctuations or motion, proper correction is necessary to get expectation correct contrast estimates when using 3D EPI. As such task-correlated physiological fluctuations or motion is difficult to avoid in paradigms exploring higher cognitive functions, 2D EPI seems to be the preferred choice for higher

  20. Leading relativistic corrections for atomic P states calculated with a finite-nuclear-mass approach and all-electron explicitly correlated Gaussian functions

    Science.gov (United States)

    Stanke, Monika; Bralin, Amir; Bubin, Sergiy; Adamowicz, Ludwik

    2018-01-01

    In this work we report progress in the development and implementation of quantum-mechanical methods for calculating bound ground and excited states of small atomic systems. The work concerns singlet states with the L =1 total orbital angular momentum (P states). The method is based on the finite-nuclear-mass (non-Born-Oppenheimer; non-BO) approach and the use of all-particle explicitly correlated Gaussian functions for expanding the nonrelativistic wave function of the system. The development presented here includes derivation and implementation of algorithms for calculating the leading relativistic corrections for singlet states. The corrections are determined in the framework of the perturbation theory as expectation values of the corresponding effective operators using the non-BO wave functions. The method is tested in the calculations of the ten lowest 1P states of the helium atom and the four lowest 1P states of the beryllium atom.

  1. Comparison of a new calculation of energy-energy correlations with e+e-→ hadrons data at the Z0 resonance

    International Nuclear Information System (INIS)

    Abe, K.; Abt, I.; Ahn, C.J.; Akagi, T.; Allen, N.J.; Ash, W.W.; Aston, D.; Baird, K.G.; Baltay, C.; Band, H.R.; Barakat, M.B.; Baranko, G.; Bardon, O.; Barklow, T.; Bazarko, A.O.; Ben-David, R.; Benvenuti, A.C.; Bienz, T.; Bilei, G.M.; Bisello, D.; Blaylock, G.; Bogart, J.R.; Bolton, T.; Bower, G.R.; Brau, J.E.; Breidenbach, M.; Bugg, W.M.; Burke, D.; Burnett, T.H.; Burrows, P.N.; Busza, W.; Calcaterra, A.; Caldwell, D.O.; Calloway, D.; Camanzi, B.; Carpinelli, M.; Cassell, R.; Castaldi, R.; Castro, A.; Cavalli-Sforza, M.; Church, E.; Cohn, H.O.; Coller, J.A.; Cook, V.; Cotton, R.; Cowan, R.F.; Coyne, D.G.; D'Oliveira, A.; Damerell, C.J.S.; Daoudi, M.; De Sangro, R.; De Simone, P.; Dell'Orso, R.; Dima, M.; Du, P.Y.C.; Dubois, R.; Eisenstein, B.I.; Elia, R.; Falciai, D.; Fan, C.; Fero, M.J.; Frey, R.; Furuno, K.; Gillman, T.; Gladding, G.; Gonzalez, S.; Hallewell, G.D.; Hart, E.L.; Hasegawa, Y.; Hedges, S.; Hertzbach, S.S.; Hildreth, M.D.; Huber, J.; Huffer, M.E.; Hughes, E.W.; Hwang, H.; Iwasaki, Y.; Jackson, D.J.; Jacques, P.; Jaros, J.; Johnson, A.S.; Johnson, J.R.; Johnson, R.A.; Junk, T.; Kajikawa, R.; Kalelkar, M.; Karliner, I.; Kawahara, H.; Kendall, H.W.; Kim, Y.; King, M.E.; King, R.; Kofler, R.R.; Krishna, N.M.; Kroeger, R.S.; Labs, J.F.; Langston, M.; Lath, A.; Lauber, J.A.; Leith, D.W.G.; Liu, X.; Loreti, M.; Lu, A.; Lynch, H.L.; Ma, J.; Mancinelli, G.; Manly, S.; Mantovani, G.; Markiewicz, T.W.; Maruyama, T.; Massetti, R.; Masuda, H.; Mazzucato, E.; McKemey, A.K.; Meadows, B.T.; Messner, R.; Mockett, P.M.; Moffeit, K.C.; Mours, B.; Mueller, G.; Muller, D.; Nagamine, T.; Nauenberg, U.; Neal, H.; Nussbaum, M.; Ohnishi, Y.; Osborne, L.S.; Panvini, R.S.; Park, H.; Pavel, T.J.; Peruzzi, I.; Piccolo, M.; Piemontese, L.; Pieroni, E.; Pitts, K.T.; Plano, R.J.; Prepost, R.; Prescott, C.Y.; Punkar, G.D.; Quigley, J.; Ratcliff, B.N.; Reeves, T.W.; Rensing, P.E.; Rochester, L.S.; Rothberg, J.E.; Rowson, P.C.; Russell, J.J.; Saxton, O.H.; Schalk, T.

    1995-01-01

    We have compared a new QCD calculation by Clay and Ellis of energy-energy correlations (EEC's) and their asymmetry (AEEC's) in e + e - annihilation into hadrons with data collected by the SLD experiment at SLAC. From fits of the new calculation, complete at O(α s 2 ), we obtained α s (M Z 2 )=0.1184±0.0031(expt)±0.0129(theory) (EEC) and α s (M Z 2 )=0.1120±0.0034(expt)±0.0036(theory) (AEEC). The EEC result is significantly lower than that obtained from comparable fits using the O(α s 2 ) calculation of Kunszt and Nason

  2. Benchmark calculations with correlated molecular wave functions. VI. Second row A2 and first row/second row AB diatomic molecules

    International Nuclear Information System (INIS)

    Woon, D.E.; Dunning, T.H. Jr.

    1994-01-01

    Benchmark calculations employing the correlation consistent basis sets of Dunning and co-workers are reported for the following diatomic species: Al 2 , Si 2 , P 2 , S 2 , Cl 2 , SiS, PS, PN, PO, and SO. Internally contracted multireference configuration interaction (CMRCI) calculations (correlating valence electrons only) have been performed for each species. For Cl 2 , P 2 , and PN, calculations have also been carried out using Moller--Plesset perturbation theory (MP2, MP3, MP4) and the singles and doubles coupled-cluster method with and without perturbative triples [CCSD, CCSD(T)]. Spectroscopic constants and dissociation energies are reported for the ground state of each species. In addition, the low-lying excited states of Al 2 and Si 2 have been investigated. Estimated complete basis set (CBS) limits for the dissociation energies, D e , and other spectroscopic constants are obtained from simple exponential extrapolations of the computed quantities. At the CBS limit the root-mean-square (rms) error in D e for the CMRCI calculations, the intrinsic error, on the ten species considered here is 3.9 kcal/mol; for r e the rms intrinsic error is 0.009 A, and for ω e it is 5.1 cm -1

  3. Calculation of the weighting function and determination of the depth of correlation in micro-PIV from experimental particle images

    International Nuclear Information System (INIS)

    Hein, M; Seemann, R; Wieneke, B

    2014-01-01

    Micro-particle image velocimetry (µPIV) uses volume-illumination and imaging of particles through a single microscope objective. Displacement fields are obtained by image correlation and depend on all imaged particles, including defocused particles. The measured in-plane displacement is a weighted spatial average of the true displacement, with a weighting function W(z) that depends on the optical system and flow-gradients. The characteristic width of the weighting function W(z) is also referred to as depth of correlation (DOC) and is a measure up to which distance from the focal plane particles influence the measurement, which is crucial for the interpretation of measured flow fields. We present procedures to determine the W(z) from which the DOC can be derived and to directly determine the DOC from PIV double images, generated from experimentally recorded particle images. Both procedures provide comparable DOC results. Our approach allows determination of the DOC and W(z)as a function of out of plane gradients, optical setup parameters and PIV-analysis parameters. Experimental results for different objectives and particle sizes are discussed, revealing substantial deviations from theoretical predictions for high NA air-objectives. Moreover, using the determined weighting function W(z), the correction of measured flow profiles for errors introduced by the spatial averaging is demonstrated. (paper)

  4. Electrophysiological correlates of higher states of consciousness during sleep in long-term practitioners of the Transcendental Meditation program.

    Science.gov (United States)

    Mason, L I; Alexander, C N; Travis, F T; Marsh, G; Orme-Johnson, D W; Gackenbach, J; Mason, D C; Rainforth, M; Walton, K G

    1997-02-01

    Standard ambulatory night sleep electroencephalograph (EEG) of 11 long-term practitioners of the Transcendental Meditation (TM) program reporting "higher states of consciousness" during sleep (the experimental group) was compared to that of nine short-term practitioners and 11 non-practitioners. EEG tracings during stages 3 and 4 sleep showed the experimental group to have: 1) theta-alpha activity simultaneously with delta activity and 2) decreased chin electromyograph (EMG) during deep sleep (p = 0.002) compared to short-term practitioners. Spectral analysis fast Fourier transform (FFT) data of the first three cycles showed that: 3) the experimental subjects had significantly greater theta 2 (6-8 Hz)-alpha 1 (8-10 Hz) relative power during stages 3 and 4 than the combined control groups [t(30) = 5.5, p = 0.0000008] with no difference in time in delta; 4) there was a graded difference across groups during stages 3 and 4 in theta 2-alpha 1 power, with experimentals having greater power than short-term practitioners, who in turn had greater power than non-practitioners [t(30) = 5.08, p = 0.00002]; and 5) experimentals also had increased rapid eye movement (REM) density during REM periods compared to short-term practitioners (p = 0.04). Previous studies have found increased theta-alpha EEG activity during reported periods of "transcendental consciousness" during the TM technique. In the Vedic tradition, as described by Maharishi Mahesh Yogi, transcendental consciousness is the first of a sequence of higher states. The maintenance of transcendental consciousness along with deep sleep is said to be a distinctive criterion of further, stabilized higher states of consciousness. The findings of this study are interpreted as physiological support for this model.

  5. Model calculations of doubly closed shell nuclei in the integral-differential equation approach describing the two body correlations

    International Nuclear Information System (INIS)

    Brizzi, R.; Fabre de la Ripelle, M.; Lassaut, M.

    1999-01-01

    The binding energies and root mean square radii obtained from the Integro-Differential Equation Approach (IDEA) and from the Weight Function Approximation (WFA) of the IDEA for an even number of bosons and for 12 C, 16 O and 40 Ca are compared to those recently obtained by the Variational Monte Carlo, Fermi Hypernetted Chain and Coupled Cluster expansion method with model potentials. The IDEA provides numbers very similar to those obtained by other methods although it takes only two-body correlations into account. The analytical expression of the wave function for the WFA is given for bosons in ground state when the interaction pair is outside the potential range. Due to its simple structure, the equations of the IDEA can easily be extended to realistic interaction for nuclei like it has already been done for the tri-nucleon and the 4 He. (authors)

  6. Numerical Calculation and Experiment of Coupled Dynamics of the Differential Velocity Vane Pump Driven by the Hybrid Higher-order Fourier Non-circular Gears

    Science.gov (United States)

    Xu, Gaohuan; Chen, Jianneng; Zhao, Huacheng

    2018-06-01

    The transmission systems of the differential velocity vane pumps (DVVP) have periodic vibrations under loads. And it is not easy to find the reason. In order to optimize the performance of the pump, the authors proposed DVVP driven by the hybrid Higher-order Fourier non-circular gears and tested it. There were also similar periodic vibrations and noises under loads. Taking into account this phenomenon, the paper proposes fluid mechanics and solid mechanics simulation methodology to analyze the coupling dynamics between fluid and transmission system and reveals the reason. The results show that the pump has the reverse drive phenomenon, which is that the blades drive the non-circular gears when the suction and discharge is alternating. The reverse drive phenomenon leads the sign of the shaft torque to be changed in positive and negative way. So the transmission system produces torsional vibrations. In order to confirm the simulation results, micro strains of the input shaft of the pump impeller are measured by the Wheatstone bridge and wireless sensor technology. The relationships between strain and torque are obtained by experimental calibration, and then the true torque of input shaft is calculated indirectly. The experimental results are consistent to the simulation results. It is proven that the periodic vibrations are mainly caused by fluid solid coupling, which leads to periodic torsional vibration of the transmission system.

  7. Does higher severity really correlate with a worse quality of life in obsessive–compulsive disorder? A meta-regression

    Directory of Open Access Journals (Sweden)

    Pozza A

    2018-04-01

    Full Text Available Andrea Pozza,1 Christine Lochner,2 Fabio Ferretti,1 Alessandro Cuomo,3 Anna Coluccia1 1Department of Medical Sciences, Surgery and Neurosciences, Santa Maria alle Scotte University Hospital of Siena, Siena, Italy; 2SU/UCT MRC Unit on Anxiety and Stress Disorders, Department of Psychiatry, Stellenbosch University, Cape Town, South Africa; 3Department of Molecular Medicine, University of Siena School of Medicine and Department of Mental Health, University of Siena Medical Center (AOUS, Siena, Italy Background: Obsessive–compulsive disorder (OCD is one of the leading causes of disability and reduced quality of life (QOL, with impairment in a number of domains. However, there is a paucity of literature on the association between severity of OCD symptoms and QOL, and the data that do exist are inconsistent. In addition, the role of severity in QOL has not been summarized as yet from a cross-generational perspective (ie, across childhood/adolescence and adulthood. Through meta-regression techniques, the current study summarized evidence about the moderator role of severity of OCD symptoms on differences in global QOL between individuals with OCD and controls. Methods: Online databases were searched, and cross-sectional case–control studies comparing participants of all ages with OCD with controls on self-report QOL measures were included. Random-effect meta-regression techniques were used to comment on the role of illness severity in global QOL in individuals with OCD. Results: Thirteen studies were included. A positive significant association emerged between OCD severity and effect sizes on global QOL: in samples with higher severity, there were narrower differences in QOL between patients with OCD and controls than in samples with lower severity. Such positive association was confirmed by a sensitivity analysis conducted on studies including only adults, where the difference in QOL ratings between patients and controls was significantly narrower

  8. Predictive analysis of beer quality by correlating sensory evaluation with higher alcohol and ester production using multivariate statistics methods.

    Science.gov (United States)

    Dong, Jian-Jun; Li, Qing-Liang; Yin, Hua; Zhong, Cheng; Hao, Jun-Guang; Yang, Pan-Fei; Tian, Yu-Hong; Jia, Shi-Ru

    2014-10-15

    Sensory evaluation is regarded as a necessary procedure to ensure a reproducible quality of beer. Meanwhile, high-throughput analytical methods provide a powerful tool to analyse various flavour compounds, such as higher alcohol and ester. In this study, the relationship between flavour compounds and sensory evaluation was established by non-linear models such as partial least squares (PLS), genetic algorithm back-propagation neural network (GA-BP), support vector machine (SVM). It was shown that SVM with a Radial Basis Function (RBF) had a better performance of prediction accuracy for both calibration set (94.3%) and validation set (96.2%) than other models. Relatively lower prediction abilities were observed for GA-BP (52.1%) and PLS (31.7%). In addition, the kernel function of SVM played an essential role of model training when the prediction accuracy of SVM with polynomial kernel function was 32.9%. As a powerful multivariate statistics method, SVM holds great potential to assess beer quality. Copyright © 2014 Elsevier Ltd. All rights reserved.

  9. Statistical Signal Processing by Using the Higher-Order Correlation between Sound and Vibration and Its Application to Fault Detection of Rotational Machine

    Directory of Open Access Journals (Sweden)

    Hisako Masuike

    2008-01-01

    Full Text Available In this study, a stochastic diagnosis method based on the changing information of not only a linear correlation but also a higher-order nonlinear correlation is proposed in a form suitable for online signal processing in time domain by using a personal computer, especially in order to find minutely the mutual relationship between sound and vibration emitted from rotational machines. More specifically, a conditional probability hierarchically reflecting various types of correlation information is theoretically derived by introducing an expression on the multidimensional probability distribution in orthogonal expansion series form. The effectiveness of the proposed theory is experimentally confirmed by applying it to the observed data emitted from a rotational machine driven by an electric motor.

  10. Higher blood harmane (1-methyl-9H-pyrido[3,4-b]indole) concentrations correlate with lower olfactory scores in essential tremor.

    Science.gov (United States)

    Louis, Elan D; Rios, Eileen; Pellegrino, Kathryn M; Jiang, Wendy; Factor-Litvak, Pam; Zheng, Wei

    2008-05-01

    Harmane (1-methyl-9H-pyrido[3,4-b]indole), a neurotoxin, may be an environmental risk factor for essential tremor (ET). Harmane and related chemicals are toxic to the cerebellum. Whether it is through this mechanism (cerebellar toxicity) that harmane leads to ET is unknown. Impaired olfaction may be a feature of cerebellar disease. To determine whether blood harmane concentrations correlate with olfactory test scores in patients with ET. Blood harmane concentrations were quantified using high performance liquid chromatography. Odor identification testing was performed with the University of Pennsylvania Smell Identification Test (UPSIT). In 83 ET cases, higher log blood harmane concentration was correlated with lower UPSIT score (rho=-0.46, p<0.001). 25/40 (62.5%) cases with high log blood harmane concentration (based on a median split) had low UPSIT scores (based on a median split) vs. 12/43 (27.9%) ET cases with low log blood harmane concentration (adjusted odd ratios (OR) 4.04, 95% confidence intervals (CI) 1.42-11.50, p=0.009). When compared with the low log blood harmane tertile, the odds of olfactory dysfunction were 2.64 times higher in cases in the middle tertile and 10.95 times higher in cases in the high tertile. In 69 control subjects, higher log blood harmane concentration was not correlated with lower UPSIT score (rho=0.12, p=0.32). Blood harmane concentrations were correlated with UPSIT scores in ET cases but not controls. These analyses set the stage for postmortem studies to further explore the role of harmane as a cerebellar toxin in ET.

  11. Gaussian-2 theory: Use of higher level correlation methods, quadratic configuration interaction geometries, and second-order Moller--Plesset zero-point energies

    International Nuclear Information System (INIS)

    Curtiss, L.A.; Raghavachari, K.; Pople, J.A.

    1995-01-01

    The performance of Gaussian-2 theory is investigated when higher level theoretical methods are included for correlation effects, geometries, and zero-point energies. A higher level of correlation treatment is examined using Brueckner doubles [BD(T)] and coupled cluster [CCSD(T)] methods rather than quadratic configuration interaction [QCISD(T)]. The use of geometries optimized at the QCISD level rather than the second-order Moller--Plesset level (MP2) and the use of scaled MP2 zero-point energies rather than scaled Hartree--Fock (HF) zero-point energies have also been examined. The set of 125 energies used for validation of G2 theory [J. Chem. Phys. 94, 7221 (1991)] is used to test out these variations of G2 theory. Inclusion of higher levels of correlation treatment has little effect except in the cases of multiply-bonded systems. In these cases better agreement is obtained in some cases and poorer agreement in others so that there is no improvement in overall performance. The use of QCISD geometries yields significantly better agreement with experiment for several cases including the ionization potentials of CS and O 2 , electron affinity of CN, and dissociation energies of N 2 , O 2 , CN, and SO 2 . This leads to a slightly better agreement with experiment overall. The MP2 zero-point energies gives no overall improvement. These methods may be useful for specific systems

  12. The correlation of cathodic peak potentials of vitamin K(3) derivatives and their calculated electron affinities. The role of hydrogen bonding and conformational changes.

    Science.gov (United States)

    Nasiri, Hamid Reza; Panisch, Robin; Madej, M Gregor; Bats, Jan W; Lancaster, C Roy D; Schwalbe, Harald

    2009-06-01

    2-methyl-1,4-naphtoquinone 1 (vitamin K(3), menadione) derivatives with different substituents at the 3-position were synthesized to tune their electrochemical properties. The thermodynamic midpoint potential (E(1/2)) of the naphthoquinone derivatives yielding a semi radical naphthoquinone anion were measured by cyclic voltammetry in the aprotic solvent dimethoxyethane (DME). Using quantum chemical methods, a clear correlation was found between the thermodynamic midpoint potentials and the calculated electron affinities (E(A)). Comparison of calculated and experimental values allowed delineation of additional factors such as the conformational dependence of quinone substituents and hydrogen bonding which can influence the electron affinities (E(A)) of the quinone. This information can be used as a model to gain insight into enzyme-cofactor interactions, particularly for enzyme quinone binding modes and the electrochemical adjustment of the quinone motif.

  13. Estimation of isotropic nuclear magnetic shieldings in the CCSD(T) and MP2 complete basis set limit using affordable correlation calculations

    DEFF Research Database (Denmark)

    Kupka, Teobald; Stachów, Michal; Kaminsky, Jakub

    2013-01-01

    , estimated from calculations with the family of polarizationconsistent pcS-n basis sets is reported. This dependence was also supported by inspection of profiles of deviation between CBS estimated nuclear shieldings and obtained with significantly smaller basis sets pcS-2 and aug-cc-pVTZ-J for the selected......A linear correlation between isotropic nuclear magnetic shielding constants for seven model molecules (CH2O, H2O, HF, F2, HCN, SiH4 and H2S) calculated with 37 methods (34 density functionals, RHF, MP2 and CCSD(T) ), with affordable pcS-2 basis set and corresponding complete basis set results...... set of 37 calculation methods. It was possible to formulate a practical approach of estimating the values of isotropic nuclear magnetic shielding constants at the CCSD(T)/CBS and MP2/CBS levels from affordable CCSD(T)/pcS-2, MP2/pcS-2 and DFT/CBS calculations with pcS-n basis sets. The proposed method...

  14. Meta-GWAS Accuracy and Power (MetaGAP Calculator Shows that Hiding Heritability Is Partially Due to Imperfect Genetic Correlations across Studies.

    Directory of Open Access Journals (Sweden)

    Ronald de Vlaming

    2017-01-01

    Full Text Available Large-scale genome-wide association results are typically obtained from a fixed-effects meta-analysis of GWAS summary statistics from multiple studies spanning different regions and/or time periods. This approach averages the estimated effects of genetic variants across studies. In case genetic effects are heterogeneous across studies, the statistical power of a GWAS and the predictive accuracy of polygenic scores are attenuated, contributing to the so-called 'missing heritability'. Here, we describe the online Meta-GWAS Accuracy and Power (MetaGAP calculator (available at www.devlaming.eu which quantifies this attenuation based on a novel multi-study framework. By means of simulation studies, we show that under a wide range of genetic architectures, the statistical power and predictive accuracy provided by this calculator are accurate. We compare the predictions from the MetaGAP calculator with actual results obtained in the GWAS literature. Specifically, we use genomic-relatedness-matrix restricted maximum likelihood to estimate the SNP heritability and cross-study genetic correlation of height, BMI, years of education, and self-rated health in three large samples. These estimates are used as input parameters for the MetaGAP calculator. Results from the calculator suggest that cross-study heterogeneity has led to attenuation of statistical power and predictive accuracy in recent large-scale GWAS efforts on these traits (e.g., for years of education, we estimate a relative loss of 51-62% in the number of genome-wide significant loci and a relative loss in polygenic score R2 of 36-38%. Hence, cross-study heterogeneity contributes to the missing heritability.

  15. Calculation of evolutionary correlation between individual genes and full-length genome: a method useful for choosing phylogenetic markers for molecular epidemiology.

    Directory of Open Access Journals (Sweden)

    Shuai Wang

    Full Text Available Individual genes or regions are still commonly used to estimate the phylogenetic relationships among viral isolates. The genomic regions that can faithfully provide assessments consistent with those predicted with full-length genome sequences would be preferable to serve as good candidates of the phylogenetic markers for molecular epidemiological studies of many viruses. Here we employed a statistical method to evaluate the evolutionary relationships between individual viral genes and full-length genomes without tree construction as a way to determine which gene can match the genome well in phylogenetic analyses. This method was performed by calculation of linear correlations between the genetic distance matrices of aligned individual gene sequences and aligned genome sequences. We applied this method to the phylogenetic analyses of porcine circovirus 2 (PCV2, measles virus (MV, hepatitis E virus (HEV and Japanese encephalitis virus (JEV. Phylogenetic trees were constructed for comparisons and the possible factors affecting the method accuracy were also discussed in the calculations. The results revealed that this method could produce results consistent with those of previous studies about the proper consensus sequences that could be successfully used as phylogenetic markers. And our results also suggested that these evolutionary correlations could provide useful information for identifying genes that could be used effectively to infer the genetic relationships.

  16. Correlation and agreement between eplet mismatches calculated using serological, low-intermediate and high resolution molecular human leukocyte antigen typing methods.

    Science.gov (United States)

    Fidler, Samantha; D'Orsogna, Lloyd; Irish, Ashley B; Lewis, Joshua R; Wong, Germaine; Lim, Wai H

    2018-03-02

    Structural human leukocyte antigen (HLA) matching at the eplet level can be identified by HLAMatchmaker, which requires the entry of four-digit alleles. The aim of this study was to evaluate the agreement between eplet mismatches calculated by serological and two-digit typing methods compared to high-resolution four-digit typing. In a cohort of 264 donor/recipient pairs, the evaluation of measurement error was assessed using intra-class correlation to confirm the absolute agreement between the number of eplet mismatches at class I (HLA-A, -B, C) and II loci (HLA-DQ and -DR) calculated using serological or two-digit molecular typing compared to four-digit molecular typing methods. The proportion of donor/recipient pairs with a difference of >5 eplet mismatches between the HLA typing methods was also determined. Intra-class correlation coefficients between serological and four-digit molecular typing methods were 0.969 (95% confidence intervals [95% CI] 0.960-0.975) and 0.926 (95% CI 0.899-0.944), respectively; and 0.995 (95% CI 0.994-0.996) and 0.993 (95% CI 0.991-0.995), respectively between two-digit and four-digit molecular typing methods. The proportion of donor/recipient pairs with a difference of >5 eplet mismatches at class I and II loci was 4% and 16% for serological versus four-digit molecular typing methods, and 0% and 2% for two-digit versus four-digit molecular typing methods, respectively. In this small predominantly Caucasian population, compared with serology, there is a high level of agreement in the number of eplet mismatches calculated using two-compared to four-digit molecular HLA-typing methods, suggesting that two-digit typing may be sufficient in determining eplet mismatch load in kidney transplantation.

  17. Calculation of strained BaTiO3 with different exchange correlation functionals examined with criterion by Ginzburg-Landau theory, uncovering expressions by crystallographic parameters

    Science.gov (United States)

    Watanabe, Yukio

    2018-05-01

    In the calculations of tetragonal BaTiO3, some exchange-correlation (XC) energy functionals such as local density approximation (LDA) have shown good agreement with experiments at room temperature (RT), e.g., spontaneous polarization (PS), and superiority compared with other XC functionals. This is due to the error compensation of the RT effect and, hence, will be ineffective in the heavily strained case such as domain boundaries. Here, ferroelectrics under large strain at RT are approximated as those at 0 K because the strain effect surpasses the RT effects. To find effective XC energy functionals for strained BaTiO3, we propose a new comparison, i.e., a criterion. This criterion is the properties at 0 K given by the Ginzburg-Landau (GL) theory because GL theory is a thermodynamic description of experiments working under the same symmetry-constraints as ab initio calculations. With this criterion, we examine LDA, generalized gradient approximations (GGA), meta-GGA, meta-GGA + local correlation potential (U), and hybrid functionals, which reveals the high accuracy of some XC functionals superior to XC functionals that have been regarded as accurate. This result is examined directly by the calculations of homogenously strained tetragonal BaTiO3, confirming the validity of the new criterion. In addition, the data points of theoretical PS vs. certain crystallographic parameters calculated with different XC functionals are found to lie on a single curve, despite their wide variations. Regarding these theoretical data points as corresponding to the experimental results, analytical expressions of the local PS using crystallographic parameters are uncovered. These expressions show the primary origin of BaTiO3 ferroelectricity as oxygen displacements. Elastic compliance and electrostrictive coefficients are estimated. For the comparison of strained results, we show that the effective critical temperature TC under strain 1000 K from an approximate method combining ab initio

  18. Higher plasma CD4 lymphocyte count correlates with better cognitive function in human immunodeficiency virus-acquired immunodeficiency syndrome (HIV-AIDS) patients

    Science.gov (United States)

    Fitri, F. I.; Rambe, A. S.; Fitri, A.

    2018-03-01

    Neurocognitive disorders in HIV-AIDS are still prevalent despite the use of antiretroviral therapy and seem to be under-recognized. Plasma lymphocyte CD4 count is a marker for general immunology status, but its association with cognitive function remains unclear. The aim of this study was to determine the correlation between plasma CD4 lymphocyte and cognitive function in HIV-AIDS patients.This was a cross-sectional study involving 48 HIV-AIDS patients. All subjects underwent physical, neurologic examination and Montreal Cognitive Assessment-Indonesian Version (MoCA-INA) to assess cognitive function and measurement of lymphocyte CD4 counts.This study included 48 subjects consisted of 29 males (60.4%) and 19 females (39.6%). The mean age was 39.17±11.21 years old. There was a significant correlation between CD4 lymphocyte counts and MoCA-INA score (r=0.347, p=0.016).Higher plasma CD4 lymphocyte count is correlated with better cognitive function in HIV-AIDS patients.

  19. The Scrap Collection per Industry Sector and the Circulation Times of Steel in the U.S. between 1900 and 2016, Calculated Based on the Volume Correlation Model

    Directory of Open Access Journals (Sweden)

    Alicia Gauffin

    2018-05-01

    Full Text Available On the basis of the Volume Correlation Model (VCM as well as data on steel consumption and scrap collection per industry sector (construction, automotive, industrial goods, and consumer goods, it was possible to estimate service lifetimes of steel in the United States between 1900 and 2016. Input data on scrap collection per industry sector was based on a scrap survey conducted by the World Steel Association for a static year in 2014 in the United States. The lifetimes of steel calculated with the VCM method were within the range of previously reported measured lifetimes of products and applications for all industry sectors. Scrapped (and apparent lifetimes of steel compared with measured lifetimes were calculated to be as follows: a scrapped lifetime of 29 years for the construction sector (apparent lifetime: 52 years compared with 44 years measured in 2014. Industrial goods: 16 (27 years compared with 19 years measured in 2010. Consumer goods: 12 (14 years compared with 13 years measured in 2014. Automotive sector: 14 (19 years compared with 17 years measured in 2011. Results show that the VCM can estimate reasonable values of scrap collection and availability per industry sector over time.

  20. Clinical application of calculated split renal volume using computed tomography-based renal volumetry after partial nephrectomy: Correlation with technetium-99m dimercaptosuccinic acid renal scan data.

    Science.gov (United States)

    Lee, Chan Ho; Park, Young Joo; Ku, Ja Yoon; Ha, Hong Koo

    2017-06-01

    To evaluate the clinical application of computed tomography-based measurement of renal cortical volume and split renal volume as a single tool to assess the anatomy and renal function in patients with renal tumors before and after partial nephrectomy, and to compare the findings with technetium-99m dimercaptosuccinic acid renal scan. The data of 51 patients with a unilateral renal tumor managed by partial nephrectomy were retrospectively analyzed. The renal cortical volume of tumor-bearing and contralateral kidneys was measured using ImageJ software. Split estimated glomerular filtration rate and split renal volume calculated using this renal cortical volume were compared with the split renal function measured with technetium-99m dimercaptosuccinic acid renal scan. A strong correlation between split renal function and split renal volume of the tumor-bearing kidney was observed before and after surgery (r = 0.89, P volumetry had a strong correlation with the split renal function measured using technetium-99m dimercaptosuccinic acid renal scan. Computed tomography-based split renal volume measurement before and after partial nephrectomy can be used as a single modality for anatomical and functional assessment of the tumor-bearing kidney. © 2017 The Japanese Urological Association.

  1. On Account--table Combined Method for Education Cost Calculation of Higher Vocational Colleges%高职院校教育成本帐表结合法的探析

    Institute of Scientific and Technical Information of China (English)

    韩征

    2012-01-01

    随着高职院校各项教育费用支出的增加,教育成本逐渐受到人们的关注.为了科学核算高职院校教育成本,分析了高职院校现行核算方法不能客观反映教育成本的原因,明确了教育成本核算的基本会计假设和原则.以高职院校经费预算项目核算为基础,结合高职院校财务现状和办学特点,提出了帐表结合法核算高职院校教育成本.该方法采用项目帐和费用分配表相结合的模式,可科学核算高职院校教育成本.%With the increase of various education expenses of higher vocational colleges, educa-tion cost is gradually getting noticed by people. In order to calculate education cost of higher vo-cational colleges scientifically, this paper puts forward that current calculation method can not re-flect the education cost of higher vocational colleges objectively and clarifies basic accounting pos-tulate as well as principles of education cost calculation. Based on calculation of fund budget i-tems of higher vocational colleges, this paper puts forward account table combined method to calculate education cost of higher vocational colleges according to their financial situation and school-running characteristics. This method adopts the model combining item account with cost allocation table, which can calculate education cost of higher vocational colleges scientifically.

  2. Individuals with autism have higher 8-Iso-PGF2α levels than controls, but no correlation with quantitative assay of Paraoxonase 1 serum levels.

    Science.gov (United States)

    Pop, Bianca; Niculae, Alexandru-Ștefan; Pop, Tudor Lucian; Răchișan, Andreea Liana

    2017-12-01

    Autism spectrum disorder (ASD) represents a very large set of neurodevelopmental issues with diverse clinical outcomes. Various hypotheses have been put forth for the etiology of autism spectrum disorder, including issues pertaining to oxidative stress. In this study, we conducted measurements of serum 8-Iso-Prostaglanding F2 α (8-iso-PGF2α, which is the results of non-enzimatically mediated polyunsaturated fatty acid oxidation) in a population of individuals with autism and a control group of age and sex matched controls. A quantitative assay of Paraoxonase 1 (PON1) was conducted. Data regarding comorbidities, structural MRI scans, medication, intelligence quotient (IQ) and Childhood Autism Rating Scale scores (CARS) were also included in our study. Our results show that patients diagnosed with autism have higher levels of 8-iso-PGF2α than their neurotypical counterparts. Levels of this particular metabolite, however, do not correlate with quantitative serum levels of Paraoxonase 1, which has been shown to be altered in individuals with autism. Neither 8-iso-PGF2α nor quantitative levels of PON1 provide any meaningful correlation with clinical or neuroimaging data in this study group. Future research should focus on providing data regarding PON 1 phenotype, in addition to standard quantitative measurements, in relation to 8-iso-PGF2α as well as other clinical and structural brain findings.

  3. Development of Xi'an-CI package – applying the hole–particle symmetry in multi-reference electronic correlation calculations

    Science.gov (United States)

    Suo, Bingbing; Lei, Yibo; Han, Huixian; Wang, Yubin

    2018-04-01

    This mini-review introduces our works on the Xi'an-CI (configuration interaction) package using graphical unitary group approach (GUGA). Taking advantage of the hole-particle symmetry in GUGA, the Galfand states used to span the CI space are classified into CI subspaces according to the number of holes and particles, and the coupling coefficients used to calculate Hamiltonian matrix elements could be factorised into the segment factors in the hole, active and external spaces. An efficient multi-reference CI with single and double excitations (MRCISD) algorithm is thus developed that reduces the storage requirement and increases the number of correlated electrons significantly. The hole-particle symmetry also gives rise to a doubly contracted MRCISD approach. Moreover, the internally contracted Gelfand states are defined within the CI subspace arising from the hole-particle symmetry, which makes the implementation of internally contracted MRCISD in the framework of GUGA possible. In addition to MRCISD, the development of multi-reference second-order perturbation theory (MRPT2) also benefits from the hole-particle symmetry. A configuration-based MRPT2 algorithm is proposed and extended to the multi-state n-electron valence-state second-order perturbation theory.

  4. Hydrogel-Embedded Model Photocatalytic System Investigated by Raman and IR Spectroscopy Assisted by Density Functional Theory Calculations and Two-Dimensional Correlation Analysis.

    Science.gov (United States)

    Geitner, Robert; Götz, Stefan; Stach, Robert; Siegmann, Michael; Krebs, Patrick; Zechel, Stefan; Schreyer, Kristin; Winter, Andreas; Hager, Martin D; Schubert, Ulrich S; Gräfe, Stefanie; Dietzek, Benjamin; Mizaikoff, Boris; Schmitt, Michael; Popp, Jürgen

    2018-03-15

    The presented study reports the synthesis and the vibrational spectroscopic characterization of different matrix-embedded model photocatalysts. The goal of the study is to investigate the interaction of a polymer matrix with photosensitizing dyes and metal complexes for potential future photocatalytic applications. The synthesis focuses on a new rhodamine B derivate and a Pt(II) terpyridine complex, which both contain a polymerizable methacrylate moiety and an acid labile acylhydrazone group. The methacrylate moieties are afterward utilized to synthesize functional model hydrogels mainly consisting of poly(ethylene glycol) methacrylate units. The pH-dependent and temperature-dependent behavior of the hydrogels is investigated by means of Raman and IR spectroscopy assisted by density functional theory calculations and two-dimensional correlation spectroscopy. The spectroscopic results reveal that the Pt(II) terpyridine complex can be released from the polymer matrix by cleaving the C═N bond in an acid environment. The same behavior could not be observed in the case of the rhodamine B dye although it features a comparable C═N bond. The temperature-dependent study shows that the water evaporation has a significant influence neither on the molecular structure of the hydrogel nor on the model photocatalytic moieties.

  5. CD3+/CD16+CD56+ cell numbers in peripheral blood are correlated with higher tumor burden in patients with diffuse large B-cell lymphoma

    Directory of Open Access Journals (Sweden)

    Anna Twardosz

    2011-04-01

    Full Text Available Diffuse large B-cell lymphoma is the commonest histological type of malignant lymphoma, andremains incurable in many cases. Developing more efficient immunotherapy strategies will require betterunderstanding of the disorders of immune responses in cancer patients. NKT (natural killer-like T cells wereoriginally described as a unique population of T cells with the co-expression of NK cell markers. Apart fromtheir role in protecting against microbial pathogens and controlling autoimmune diseases, NKT cells havebeen recently revealed as one of the key players in the immune responses against tumors. The objective of thisstudy was to evaluate the frequency of CD3+/CD16+CD56+ cells in the peripheral blood of 28 diffuse largeB-cell lymphoma (DLBCL patients in correlation with clinical and laboratory parameters. Median percentagesof CD3+/CD16+CD56+ were significantly lower in patients with DLBCL compared to healthy donors(7.37% vs. 9.01%, p = 0.01; 4.60% vs. 5.81%, p = 0.03, although there were no differences in absolute counts.The frequency and the absolute numbers of CD3+/CD16+CD56+ cells were lower in advanced clinical stagesthan in earlier ones. The median percentage of CD3+/CD16+CD56+ cells in patients in Ann Arbor stages 1–2 was5.55% vs. 3.15% in stages 3–4 (p = 0.02, with median absolute counts respectively 0.26 G/L vs. 0.41 G/L (p == 0.02. The percentage and absolute numbers of CD3+/CD16+CD56+ cells were significantly higher in DL-BCL patients without B-symptoms compared to the patients with B-symptoms, (5.51% vs. 2.46%, p = 0.04;0.21 G/L vs. 0.44 G/L, p = 0.04. The percentage of CD3+/CD16+CD56+ cells correlated adversely with serumlactate dehydrogenase (R= –445; p < 0.05 which might influence NKT count. These figures suggest a relationshipbetween higher tumor burden and more aggressive disease and decreased NKT numbers. But it remains tobe explained whether low NKT cell counts in the peripheral blood of patients with DLBCL are the result

  6. Higher baseline viral diversity correlates with lower HBsAg decline following PEGylated interferon-alpha therapy in patients with HBeAg-positive chronic hepatitis B.

    Science.gov (United States)

    Li, Hu; Zhang, Li; Ren, Hong; Hu, Peng

    2018-01-01

    Viral diversity seems to predict treatment outcomes in certain viral infections. The aim of this study was to evaluate the association between baseline intra-patient viral diversity and hepatitis B surface antigen (HBsAg) decline following PEGylated interferon-alpha (Peg-IFN-α) therapy. Twenty-six HBeAg-positive patients who were treated with Peg-IFN-α were enrolled. Nested polymerase chain reaction (PCR), cloning, and sequencing of the hepatitis B virus S gene were performed on baseline samples, and normalized Shannon entropy (Sn) was calculated as a measure of small hepatitis B surface protein (SHBs) diversity. Multiple regression analysis was used to estimate the association between baseline Sn and HBsAg decline. Of the 26 patients enrolled in the study, 65.4% were male and 61.5% were infected with hepatitis B virus genotype B. The median HBsAg level at baseline was 4.5 log 10 IU/mL (interquartile range: 4.1-4.9) and declined to 3.0 log 10 IU/mL (interquartile range: 1.7-3.9) after 48 weeks of Peg-IFN-α treatment. In models adjusted for baseline alanine aminotransferase (ALT) and HBsAg, the adjusted coefficients (95% CI) for ΔHBsAg and relative percentage HBsAg decrease were -1.3 (-2.5, -0.2) log 10 IU/mL for higher SHBs diversity (Sn≥0.58) patients and -26.4% (-50.2%, -2.5%) for lower diversity (Sndiversity. Baseline intra-patient SHBs diversity was inverse to HBsAg decline in HBeAg-positive chronic hepatitis B (CHB) patients receiving Peg-IFN-α monotherapy. Also, more sequence variations within the "a" determinant upstream flanking region and the first loop of the "a" determinant were the main sources of the higher SHBs diversity.

  7. Ovarian hyperstimulation syndrome is correlated with a reduction of soluble VEGF receptor protein level and a higher amount of VEGF-A.

    Science.gov (United States)

    Pietrowski, D; Szabo, L; Sator, M; Just, A; Egarter, C

    2012-01-01

    Ovarian hyperstimulation syndrome (OHSS) is a potentially life-threatening condition associated with increased vascular permeability. The vascular endothelial growth factor (VEGF) system and its receptors have been identified as the main angiogenic factors responsible for increased capillary permeability and are therefore discussed as crucial for the occurrence of OHSS. Recently, a number of soluble receptors for the VEGFs have been detected (sVEGF-Rs) and it has been shown that these sVEGF-Rs compete with the membrane-standing VEGF-R to bind VEGFs. We analyzed the serum levels of soluble VEGF-R1, -R2 and -R3 in 34 patients suffering from OHSS and in 34 controls without this disease. In a subgroup analysis, we correlated the severity of the OHSS with the detected amounts of VEGF-R1, -R2 and -R3. In addition, we determined the amount of total VEGF-A in the samples. All the three soluble VEGF receptors tended to be higher in the control group compared with that in the OHSS group but this difference only reached significance for sVEGF-R2 (mean ± SEM: 15.5 ± 0.6 versus 13.8 ± 0.5 ng/ml, respectively, P< 0.05). In the subgroup analysis, sVEGF-R2 levels decreased as the severity of OHSS increased (OHSS-I: 16.8 ± 1.9 ng/ml and OHSS-III: 12.7 ± 1.0 ng/ml, P< 0.05) Moreover, the serum levels of total VEGF-A were higher in the OHSS group than those in the controls (537.7 ± 38.9 versus 351 ± 53.4 pg/ml, respectively P< 0.05). We propose that VEGF-A plays a role in the occurrence of OHSS, that the amount of biologically available VEGF-A is modulated by sVEGF-Rs and that different combinations of VEGF-A and sVEGF-R levels might contribute to the severity of OHSS.

  8. Insulin-like growth factor II mRNA binding protein 3 (IMP3) is overexpressed in prostate cancer and correlates with higher Gleason scores

    International Nuclear Information System (INIS)

    Ikenberg, Kristian; Behnke, Silvia; Gerhardt, Josefine; Mortezavi, Ashkan; Wild, Peter; Hofstädter, Ferdinand; Burger, Maximilian; Moch, Holger; Kristiansen, Glen; Fritzsche, Florian R; Zuerrer-Haerdi, Ursina; Hofmann, Irina; Hermanns, Thomas; Seifert, Helge; Müntener, Michael; Provenzano, Maurizio; Sulser, Tullio

    2010-01-01

    The oncofetal protein insulin-like growth factor II mRNA binding protein 3 (IMP3) is an important factor for cell-migration and adhesion in malignancies. Recent studies have shown a remarkable overexpression of IMP3 in different human malignant neoplasms and also revealed it as an important prognostic marker in some tumor entities. To our knowledge, IMP3 expression has not been investigated in prostate carcinomas so far. Immunohistochemical stainings for IMP3 were performed on tissue microarray (TMA) organized samples from 507 patients: 31 normal prostate tissues, 425 primary carcinomas and 51 prostate cancer metastases or castration-resistant prostate cancers (CRPC). IMP3 immunoreactivity was semiquantitatively scored and correlated with clinical-pathologic parameters including survival. IMP3 is significantly stronger expressed in prostate carcinomas compared to normal prostate tissues (p < 0.0001), but did not show significant correlation with the pT-stage, the proliferation index (MIB1), preoperative serum PSA level and the margin status. Only a weak and slightly significant correlation was found with the Gleason score and IMP3 expression failed to show prognostic significance in clinico-pathological correlation-analyses. Although IMP3 is overexpressed in a significant proportion of prostate cancer cases, which might be of importance for novel therapeutic approaches, it does not appear to possess any immediate diagnostic or prognostic value, limiting its potential as a tissue biomarker for prostate cancer. These results might be corroborated by the fact, that two independent tumor cohorts were separately reviewed

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

    Science.gov (United States)

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

    2018-03-14

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

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

    Science.gov (United States)

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

    2018-03-01

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

  11. Multiparticle correlations and higher order harmonics in pPb collisions at $\\sqrt{s_{_\\text{NN}}} = 8.16~\\mathrm{TeV}$

    CERN Document Server

    CMS Collaboration

    2018-01-01

    The second- and third-order azimuthal anisotropy Fourier harmonics are studied in pPb collisions at $\\sqrt{s_{_\\text{NN}}}=8.16~\\mathrm{TeV}$ over a wide range of event multiplicities. The second-order, ``elliptic'' harmonic moment is obtained through four-, six-, and eight-particle correlations and the third-order, ``triangular'' harmonic moment is studied using four-particle correlations. The data were collected by the CMS experiment during the 2016 LHC run. A sample of peripheral PbPb collisions at $\\sqrt{s_{_{\\text{NN}}}}=5.02~\\mathrm{TeV}$, covering a similar range of event multiplicities to the pPb results, is also analyzed. Theoretical predictions that assume a hydrodynamic evolution of the created medium with initial-state density fluctuations are compared to the experimental results.

  12. Microscopic nucleon spectral function for finite nuclei featuring two- and three-nucleon short-range correlations: The model versus ab initio calculations for three-nucleon systems

    Science.gov (United States)

    Ciofi degli Atti, Claudio; Mezzetti, Chiara Benedetta; Morita, Hiko

    2017-04-01

    Background: Two-nucleon (2 N ) short-range correlations (SRC) in nuclei have been recently thoroughly investigated, both theoretically and experimentally and the study of three-nucleon (3 N ) SRC, which could provide important information on short-range hadronic structure, is underway. Novel theoretical ideas concerning 2 N and 3 N SRC are put forward in the present paper. Purpose: The general features of a microscopic one-nucleon spectral function which includes the effects of both 2 N and 3 N SRC and its comparison with ab initio spectral functions of the three-nucleon systems are illustrated. Methods: A microscopic and parameter-free one-nucleon spectral function expressed in terms of a convolution integral involving ab initio relative and center-of-mass (c.m.) momentum distributions of a 2 N pair and aimed at describing two- and three-nucleon short-range correlations, is obtained by using: (i) the two-nucleon momentum distributions obtained within ab initio approaches based upon nucleon-nucleon interactions of the Argonne family; (ii) the exact relation between one- and two-nucleon momentum distributions; (iii) the fundamental property of factorization of the nuclear wave function at short internucleon ranges. Results: The comparison between the ab initio spectral function of 3He and the one based upon the convolution integral shows that when the latter contains only two-nucleon short-range correlations the removal energy location of the peaks and the region around them exhibited by the ab initio spectral function are correctly predicted, unlike the case of the high and low removal energy tails; the inclusion of the effects of three-nucleon correlations brings the convolution model spectral function in much better agreement with the ab initio one; it is also found that whereas the three-nucleon short-range correlations dominate the high energy removal energy tail of the spectral function, their effects on the one-nucleon momentum distribution are almost one

  13. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    Science.gov (United States)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  14. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

    Science.gov (United States)

    Hill, J Grant; Peterson, Kirk A

    2017-12-28

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  15. Microvascular abnormalities in capillaroscopy correlate with higher serum IL-18 and sE-selectin levels in patients with type 1 diabetes complicated by microangiopathy

    Directory of Open Access Journals (Sweden)

    Maria Górska

    2011-04-01

    Full Text Available Microvascular abnormalities are one of the most important causes of persistent diabetic complications. The aim of this study was to compare microvascular changes examined by nailfold capillaroscopy with serum concentrations of soluble E-selectin (sE-selectin and IL-18 in type 1 diabetic patients with and without microangiopathy. Serum levels of sE-selectin and IL-18 were determined by an enzyme-linked immunosorbent assay in 106 patients with type 1 diabetes and in 40 healthy controls. All diabetic patients were evaluated by extensive clinical, laboratory and capillaroscopic studies. Morphological changes were observed by nailfold capillaroscopy in 86 out of 106 (81% diabetic patients. Severe capillaroscopic changes were seen in 32 out of 54 (59% patients with microangiopathy, but in only seven out of 52 (13% patients without microangiopathy. Higher serum levels of sE-selectin (p < 0.001 and IL-18 (p < 0.05 were demonstrated in diabetic patients compared to controls. Significant differences of sE-selectin (p < 0.001 and IL-18 (p < 0.01 serum concentrations were observed between diabetic patients with microangiopathy and controls. Moreover, comparison between patients with and without microangiopathic complications showed a significantly higher capillaroscopic score and sE-selectin serum concentration in the group with microangiopathy (p < 0.001. Furthermore, diabetic patients with severe microvascular changes in capillaroscopy showed significantly higher IL-18 (p < 0.001 and sE-selectin (p < 0.05 serum levels than subgroups without changes or with mild abnormalities. Our findings suggest that abnormalities in nailfold capillaroscopy may reflect the extent of microvascular involvement and are associated with higher sE-selectin and IL-18 serum levels, as well as with microangiopathic complications in diabetic patients. (Folia Histochemica et Cytobiologica 2011; Vol. 49, No. 1, pp. 104–110

  16. Higher-order superclustering in the Ostriker explosion scenario I. Three-point correlation functions of clusters in the constant and power-law models

    International Nuclear Information System (INIS)

    Jing Yipeng.

    1989-08-01

    We study the three-point correlation functions ρ(r, u, v) of clusters in the two types of explosion models by numerical simulations. The clusters are identified as the ''knots'' where three shells intersect. The shells are assumed to have the constant radii (the constant models) or have the power law radius distributions (the power law models). In both kinds of models, we find that ρ can be approximately expressed by the scaling form: ρ = Q(ξ 1 ξ 2 + ξ 2 ξ 3 + ξ 3 ξ 1 ), and Q is about 1, which are consistent with the observations. More detailed studies of r-, u- and v-dependences of Q show that Q remains constant in the constant models. In the power-law models, Q is independent of the shape parameters u and v, while it has some moderate r-dependences (variations with r about a factor of 1 or 2). (author). 27 refs, 9 figs

  17. Influence of Exchange-Correlation Functional in the Calculations of Vertical Excitation Energies of Halogenated Copper Phthalocyanines using Time-Dependent Density Functional Theory (TD-DFT)

    International Nuclear Information System (INIS)

    Lee, Sang Uck

    2013-01-01

    The accurate prediction of vertical excitation energies is very important for the development of new materials in the dye and pigment industry. A time-dependent density functional theory (TD-DFT) approach coupled with 22 different exchange-correlation functionals was used for the prediction of vertical excitation energies in the halogenated copper phthalocyanine molecules in order to find the most appropriate functional and to determine the accuracy of the prediction of the absorption wavelength and observed spectral shifts. Among the tested functional, B3LYP functional provides much more accurate vertical excitation energies and UV-vis spectra. Our results clearly provide a benchmark calibration of the TD-DFT method for phthalocyanine based dyes and pigments used in industry

  18. Experimental determination of new statistical correlations for the calculation of the heat transfer coefficient by convection for flat plates, cylinders and tube banks

    Directory of Open Access Journals (Sweden)

    Ismael Fernando Meza Castro

    2017-07-01

    Full Text Available Introduction: This project carried out an experimental research with the design, assembly, and commissioning of a convection heat transfer test bench. Objective: To determine new statistical correlations that allow knowing the heat transfer coefficients by air convection with greater accuracy in applications with different heating geometry configurations. Methodology: Three geometric configurations, such as flat plate, cylinders and tube banks were studied according to their physical properties through Reynolds and Prandtl numbers, using a data transmission interface using Arduino® controllers Measured the air temperature through the duct to obtain real-time data and to relate the heat transferred from the heating element to the fluid and to perform mathematical modeling in specialized statistical software. The study was made for the three geometries mentioned, one power per heating element and two air velocities with 10 repetitions. Results: Three mathematical correlations were obtained with regression coefficients greater than 0.972, one for each heating element, obtaining prediction errors in the heat transfer convective coefficients of 7.50% for the flat plate, 2.85% for the plate Cylindrical and 1.57% for the tube bank. Conclusions: It was observed that in geometries constituted by several individual elements, a much more accurate statistical adjustment was obtained to predict the behavior of the convection heat coefficients, since each unit reaches a stability in the surface temperature profile with Greater speed, giving the geometry in general, a more precise measurement of the parameters that govern the transfer of heat, as it is in the case of the geometry of the tube bank.

  19. Are Fit Indices Biased in Favor of Bi-Factor Models in Cognitive Ability Research?: A Comparison of Fit in Correlated Factors, Higher-Order, and Bi-Factor Models via Monte Carlo Simulations

    Directory of Open Access Journals (Sweden)

    Grant B. Morgan

    2015-02-01

    Full Text Available Bi-factor confirmatory factor models have been influential in research on cognitive abilities because they often better fit the data than correlated factors and higher-order models. They also instantiate a perspective that differs from that offered by other models. Motivated by previous work that hypothesized an inherent statistical bias of fit indices favoring the bi-factor model, we compared the fit of correlated factors, higher-order, and bi-factor models via Monte Carlo methods. When data were sampled from a true bi-factor structure, each of the approximate fit indices was more likely than not to identify the bi-factor solution as the best fitting. When samples were selected from a true multiple correlated factors structure, approximate fit indices were more likely overall to identify the correlated factors solution as the best fitting. In contrast, when samples were generated from a true higher-order structure, approximate fit indices tended to identify the bi-factor solution as best fitting. There was extensive overlap of fit values across the models regardless of true structure. Although one model may fit a given dataset best relative to the other models, each of the models tended to fit the data well in absolute terms. Given this variability, models must also be judged on substantive and conceptual grounds.

  20. SU-E-J-115: Correlation of Displacement Vector Fields Calculated by Deformable Image Registration Algorithms with Motion Parameters of CT Images with Well-Defined Targets and Controlled-Motion

    Energy Technology Data Exchange (ETDEWEB)

    Jaskowiak, J; Ahmad, S; Ali, I [University of Oklahoma Health Sciences Center, Oklahoma City, OK (United States); Alsbou, N [Ohio Northern University, Ada, OH (United States)

    2015-06-15

    Purpose: To investigate correlation of displacement vector fields (DVF) calculated by deformable image registration algorithms with motion parameters in helical axial and cone-beam CT images with motion artifacts. Methods: A mobile thorax phantom with well-known targets with different sizes that were made from water-equivalent material and inserted in foam to simulate lung lesions. The thorax phantom was imaged with helical, axial and cone-beam CT. The phantom was moved with a cyclic motion with different motion amplitudes and frequencies along the superior-inferior direction. Different deformable image registration algorithms including demons, fast demons, Horn-Shunck and iterative-optical-flow from the DIRART software were used to deform CT images for the phantom with different motion patterns. The CT images of the mobile phantom were deformed to CT images of the stationary phantom. Results: The values of displacement vectors calculated by deformable image registration algorithm correlated strongly with motion amplitude where large displacement vectors were calculated for CT images with large motion amplitudes. For example, the maximal displacement vectors were nearly equal to the motion amplitudes (5mm, 10mm or 20mm) at interfaces between the mobile targets lung tissue, while the minimal displacement vectors were nearly equal to negative the motion amplitudes. The maximal and minimal displacement vectors matched with edges of the blurred targets along the Z-axis (motion-direction), while DVF’s were small in the other directions. This indicates that the blurred edges by phantom motion were shifted largely to match with the actual target edge. These shifts were nearly equal to the motion amplitude. Conclusions: The DVF from deformable-image registration algorithms correlated well with motion amplitude of well-defined mobile targets. This can be used to extract motion parameters such as amplitude. However, as motion amplitudes increased, image artifacts increased

  1. Insulin-like growth factor II mRNA binding protein 3 (IMP3 is overexpressed in prostate cancer and correlates with higher Gleason scores

    Directory of Open Access Journals (Sweden)

    Mortezavi Ashkan

    2010-06-01

    Full Text Available Abstract Background The oncofetal protein insulin-like growth factor II mRNA binding protein 3 (IMP3 is an important factor for cell-migration and adhesion in malignancies. Recent studies have shown a remarkable overexpression of IMP3 in different human malignant neoplasms and also revealed it as an important prognostic marker in some tumor entities. To our knowledge, IMP3 expression has not been investigated in prostate carcinomas so far. Methods Immunohistochemical stainings for IMP3 were performed on tissue microarray (TMA organized samples from 507 patients: 31 normal prostate tissues, 425 primary carcinomas and 51 prostate cancer metastases or castration-resistant prostate cancers (CRPC. IMP3 immunoreactivity was semiquantitatively scored and correlated with clinical-pathologic parameters including survival. Results IMP3 is significantly stronger expressed in prostate carcinomas compared to normal prostate tissues (p Conclusions Although IMP3 is overexpressed in a significant proportion of prostate cancer cases, which might be of importance for novel therapeutic approaches, it does not appear to possess any immediate diagnostic or prognostic value, limiting its potential as a tissue biomarker for prostate cancer. These results might be corroborated by the fact, that two independent tumor cohorts were separately reviewed.

  2. Physical activity level in people with age related white matter changes correlates to better motor performance, lower comorbidity and higher cognitive level.

    Science.gov (United States)

    Pettersson, Anna F; Wahlund, Lars-Olof; Bronge, Lena; Olsson, Elisabeth; Amberla, Kaarina; Baezner, Hansjoerg; Crisby, Milita

    2017-07-12

    Physical activity plays a pivotal role in the development of disability and may modify the negative effect of vascular risk factors on progression of both cardio and cerebrovascular disorders. The aim of this study was to evaluate the activity level in people with age-related white matter changes as identified on magnetic resonance imaging (MRI) in relation to motor performance, cognition and perceived health. Data came from the first year follow up of one participating centers of the LADIS study. Fifty one subjects were first enrolled in the study. Complete first year follow up data was available for 41 subjects. Information on comorbidity, physical activity level, physical function, cognition, level of white matter changes and perceived health was collected. Physical activity level was classified with a yes or no question and with the Frenchay Activities Index (FAI). Only 36% of the subjects in this study were physically active according to the yes/no question. 27.5% of the subjects were active according to the FAI score which evaluates the everyday activities. Being active discriminated subjects with better physical function. Subjects active according to the FAI score had a higher cognitive level (p ≤ 0.01), lower comorbidity (p = 0.02) and performed better on all motor function tasks as assessed by walking speed (p ≤ 0.01) and the Short Physical Performance battery (SPPB) (p ≤ 0.01). Being physically active seems to be a long term protective factor. In our study, the majority of subjects with Age Related White Mattter Changes (ARWMC) with no or mild Instrumental Activity of Daily Living (IADL) disability did not attain recommended level of activity at first year follow up. Whether or not increasing physical activity may slow down cognitive decline and lessen development of disability in physically inactive subjects with manifest ARWC remains to be studied. not applicable.

  3. Magneto-structural correlations in a family of Fe(II)Re(IV)(CN)2 single-chain magnets: density functional theory and ab initio calculations.

    Science.gov (United States)

    Zhang, Yi-Quan; Luo, Cheng-Lin; Wu, Xin-Bao; Wang, Bing-Wu; Gao, Song

    2014-04-07

    Until now, the expressions of the anisotropic energy barriers Δξ and ΔA, using the uniaxial magnetic anisotropy D, the intrachain coupling strength J, and the high-spin ground state S for single-chain magnets (SCMs) in the intermediate region between the Ising and the Heisenberg limits, were unknown. To explore this relationship, we used density functional theory and ab initio methods to obtain expressions of Δξ and ΔA in terms of D, J, and S of six R4Fe(II)-Re(IV)Cl4(CN)2 (R = diethylformamide (1), dibutylformamide (2), dimethylformamide (3), dimethylbutyramide (4), dimethylpropionamide (5), and diethylacetamide (6)) SCMs in the intermediate region. The ΔA value for compounds 1-3 was very similar to the magnetic anisotropic energy of a single Fe(II), while the value of Δξ was predicted using the exchange interaction of Fe(II) with the neighboring Re(IV), which could be expressed as 2JSReSFe. Similar to compounds 1-3, the anisotropy energy barrier ΔA of compounds 4 and 5 was also equal to (Di - Ei)SFe(2), but the correlation energy Δξ was closely equal to 2JSReSFe(cos 98.4 - cos 180) due to the reversal of the spins on the opposite Fe(II). For compound 6, one unit cell of Re(IV)Fe(II) was regarded as a domain wall since it had two different Re(IV)-Fe(II) couplings. Thus, the Δξ of compound 6 was expressed as 4J″SRe1Fe1SRe2Fe2, where J″ was the coupling constant of the neighboring unit cells of Re1Fe1 and Re2Fe2, and ΔA was equal to the anisotropic energy barrier of one domain wall given by DRe1Fe1(S(2)Re1Fe1 - 1/4).

  4. QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals

    Directory of Open Access Journals (Sweden)

    Eduardo A. Castro

    2004-12-01

    Full Text Available We report the results of a calculation of the normal boiling points of a representative set of 200 organic molecules through the application of QSPR theory. For this purpose we have used a particular set of flexible molecular descriptors, the so called Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals. Although in general the results show suitable behavior to predict this physical chemistry property, the existence of some deviant behaviors points to a need to complement this index with some other sort of molecular descriptors. Some possible extensions of this study are discussed.

  5. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  6. General correlation and partial correlation analysis in finding interactions: with Spearman rank correlation and proportion correlation as correlation measures

    OpenAIRE

    WenJun Zhang; Xin Li

    2015-01-01

    Between-taxon interactions can be detected by calculating the sampling data of taxon sample type. In present study, Spearman rank correlation and proportion correlation are chosen as the general correlation measures, and their partial correlations are calculated and compared. The results show that for Spearman rank correlation measure, in all predicted candidate direct interactions by partial correlation, about 16.77% (x, 0-45.4%) of them are not successfully detected by Spearman rank correla...

  7. 0.1 Trend analysis of δ18O composition of precipitation in Germany: Combining Mann-Kendall trend test and ARIMA models to correct for higher order serial correlation

    Science.gov (United States)

    Klaus, Julian; Pan Chun, Kwok; Stumpp, Christine

    2015-04-01

    Spatio-temporal dynamics of stable oxygen (18O) and hydrogen (2H) isotopes in precipitation can be used as proxies for changing hydro-meteorological and regional and global climate patterns. While spatial patterns and distributions gained much attention in recent years the temporal trends in stable isotope time series are rarely investigated and our understanding of them is still limited. These might be a result of a lack of proper trend detection tools and effort for exploring trend processes. Here we make use of an extensive data set of stable isotope in German precipitation. In this study we investigate temporal trends of δ18O in precipitation at 17 observation station in Germany between 1978 and 2009. For that we test different approaches for proper trend detection, accounting for first and higher order serial correlation. We test if significant trends in the isotope time series based on different models can be observed. We apply the Mann-Kendall trend tests on the isotope series, using general multiplicative seasonal autoregressive integrate moving average (ARIMA) models which account for first and higher order serial correlations. With the approach we can also account for the effects of temperature, precipitation amount on the trend. Further we investigate the role of geographic parameters on isotope trends. To benchmark our proposed approach, the ARIMA results are compared to a trend-free prewhiting (TFPW) procedure, the state of the art method for removing the first order autocorrelation in environmental trend studies. Moreover, we explore whether higher order serial correlations in isotope series affects our trend results. The results show that three out of the 17 stations have significant changes when higher order autocorrelation are adjusted, and four stations show a significant trend when temperature and precipitation effects are considered. Significant trends in the isotope time series are generally observed at low elevation stations (≤315 m a

  8. CONTAIN calculations

    International Nuclear Information System (INIS)

    Scholtyssek, W.

    1995-01-01

    In the first phase of a benchmark comparison, the CONTAIN code was used to calculate an assumed EPR accident 'medium-sized leak in the cold leg', especially for the first two days after initiation of the accident. The results for global characteristics compare well with those of FIPLOC, MELCOR and WAVCO calculations, if the same materials data are used as input. However, significant differences show up for local quantities such as flows through leakages. (orig.)

  9. Increased Zn/Glutathione Levels and Higher Superoxide Dismutase-1 Activity as Biomarkers of Oxidative Stress in Women with Long-Term Dental Amalgam Fillings: Correlation between Mercury/Aluminium Levels (in Hair) and Antioxidant Systems in Plasma

    Science.gov (United States)

    Cabaña-Muñoz, María Eugenia; Parmigiani-Izquierdo, José María; Bravo-González, Luis Alberto; Kyung, Hee-Moon; Merino, José Joaquín

    2015-01-01

    Background The induction of oxidative stress by Hg can affect antioxidant enzymes. However, epidemiological studies have failed to establish clear association between dental fillings presence and health problems. Objectives To determine whether heavy metals (in hair), antioxidant enzymes (SOD-1) and glutathione levels could be affected by the chronic presence of heavy metals in women who had dental amalgam fillings. Materials and Methods 55 hair samples (42 females with amalgam fillings and 13 female control subjects) were obtained. All subjects (mean age 44 years) who had dental amalgam filling for more than 10 years (average 15 years). Certain metals were quantified by ICP-MS (Mass Spectrophotometry) in hair (μg/g: Al, Hg, Ba, Ag, Sb, As, Be, Bi, Cd, Pb, Pt, Tl, Th, U, Ni, Sn, Ti) and SOD-1 and Glutathione (reduced form) levels in plasma. Data were compared with controls without amalgams, and analyzed to identify any significant relation between metals and the total number of amalgam fillings, comparing those with four or less (n = 27) with those with more than four (n = 15). As no significant differences were detected, the two groups were pooled (Amlgam; n = 42). Findings Hg, Ag, Al and Ba were higher in the amalgam group but without significant differences for most of the heavy metals analyzed. Increased SOD-1 activity and glutathione levels (reduced form) were observed in the amalgam group. Aluminum (Al) correlated with glutathione levels while Hg levels correlated with SOD-1. The observed Al/glutathione and Hg/SOD-1 correlation could be adaptive responses against the chronic presence of mercury. Conclusions Hg, Ag, Al and Ba levels increased in women who had dental amalgam fillings for long periods. Al correlated with glutathione, and Hg with SOD-1. SOD-1 may be a possible biomarker for assessing chronic Hg toxicity. PMID:26076368

  10. The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spectroscopy of transition metal complexes.

    Science.gov (United States)

    Roper, Ian P E; Besley, Nicholas A

    2016-03-21

    The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.

  11. The importance of including local correlation times in the calculation of inter-proton distances from NMR measurements: ignoring local correlation times leads to significant errors in the conformational analysis of the Glc alpha1-2Glc alpha linkage by NMR spectroscopy.

    Science.gov (United States)

    Mackeen, Mukram; Almond, Andrew; Cumpstey, Ian; Enis, Seth C; Kupce, Eriks; Butters, Terry D; Fairbanks, Antony J; Dwek, Raymond A; Wormald, Mark R

    2006-06-07

    The experimental determination of oligosaccharide conformations has traditionally used cross-linkage 1H-1H NOE/ROEs. As relatively few NOEs are observed, to provide sufficient conformational constraints this method relies on: accurate quantification of NOE intensities (positive constraints); analysis of absent NOEs (negative constraints); and hence calculation of inter-proton distances using the two-spin approximation. We have compared the results obtained by using 1H 2D NOESY, ROESY and T-ROESY experiments at 500 and 700 MHz to determine the conformation of the terminal Glc alpha1-2Glc alpha linkage in a dodecasaccharide and a related tetrasaccharide. For the tetrasaccharide, the NOESY and ROESY spectra produced the same qualitative pattern of linkage cross-peaks but the quantitative pattern, the relative peak intensities, was different. For the dodecasaccharide, the NOESY and ROESY spectra at 500 MHz produced a different qualitative pattern of linkage cross-peaks, with fewer peaks in the NOESY spectrum. At 700 MHz, the NOESY and ROESY spectra of the dodecasaccharide produced the same qualitative pattern of peaks, but again the relative peak intensities were different. These differences are due to very significant differences in the local correlation times for different proton pairs across this glycosidic linkage. The local correlation time for each proton pair was measured using the ratio of the NOESY and T-ROESY cross-relaxation rates, leaving the NOESY and ROESY as independent data sets for calculating the inter-proton distances. The inter-proton distances calculated including the effects of differences in local correlation times give much more consistent results.

  12. Higher Education

    African Journals Online (AJOL)

    Kunle Amuwo: Higher Education Transformation: A Paradigm Shilt in South Africa? ... ty of such skills, especially at the middle management levels within the higher ... istics and virtues of differentiation and diversity. .... may be forced to close shop for lack of capacity to attract ..... necessarily lead to racial and gender equity,.

  13. Orthogonalization of correlated states

    International Nuclear Information System (INIS)

    Fantoni, S.; Pandharipande, V.R.

    1988-01-01

    A scheme for orthogonalizing correlated states while preserving the diagonal matrix elements of the Hamiltonian is developed. Conventional perturbation theory can be used with the orthonormal correlated basis obtained from this scheme. Advantages of using orthonormal correlated states in calculations of the response function and correlation energy are discussed

  14. Higher Education

    Science.gov (United States)

    & Development (LDRD) National Security Education Center (NSEC) Office of Science Programs Richard P Databases National Security Education Center (NSEC) Center for Nonlinear Studies Engineering Institute Scholarships STEM Education Programs Teachers (K-12) Students (K-12) Higher Education Regional Education

  15. Improvement of methods for calculation of sound insulation in buildings

    OpenAIRE

    Mašović, Draško B.

    2015-01-01

    The main object of this work are the methods for calculation of sound insulation based on the classical model of sound propagation in buildings and single-number rating of sound insulation. The aim of the work is inspection of the possibilities for improvement of standard methods for quantification and calculation of sound insulation, in order to achieve higher accuracy of the obtained numerical values and their correlation with subjective impression of the acoustic comfort in buildings. Proc...

  16. Burnout calculation

    International Nuclear Information System (INIS)

    Li, D.

    1980-01-01

    Reviewed is the effect of heat flux of different system parameters on critical density in order to give an initial view on the value of several parameters. A thorough analysis of different equations is carried out to calculate burnout is steam-water flows in uniformly heated tubes, annular, and rectangular channels and rod bundles. Effect of heat flux density distribution and flux twisting on burnout and storage determination according to burnout are commended [ru

  17. Magnetic interactions in equi-atomic rare-earth intermetallic alloys RScGe (R = Ce, Pr, Nd and Gd) studied by time differential perturbed angular correlation spectroscopy and ab initio calculations.

    Science.gov (United States)

    Mishra, S N

    2009-03-18

    Applying the time differential perturbed angular correlation (TDPAC) technique we have measured electric and magnetic hyperfine fields of the (111)Cd impurity in equi-atomic rare-earth intermetallic alloys RScGe (R = Ce, Pr and Gd) showing antiferro- and ferromagnetism with unusually high ordering temperatures. The Cd nuclei occupying the Sc site show high magnetic hyperfine fields with saturation values B(hf)(0) = 21 kG, 45 kG and 189 kG in CeScGe, PrScGe and GdScGe, respectively. By comparing the results with the hyperfine field data of Cd in rare-earth metals and estimations from the RKKY model, we find evidence for the presence of additional spin density at the probe nucleus, possibly due to spin polarization of Sc d band electrons. The principal electric field gradient component V(zz) in CeScGe, PrScGe and GdScGe has been determined to be 5.3 × 10(21) V m(-2), 5.5 × 10(21) V m(-2) and 5.6 × 10(21) V m(-2), respectively. Supplementing the experimental measurements, we have carried out ab initio calculations for pure and Cd-doped RScGe compounds with R = Ce, Pr, Nd and Gd using the full potential linearized augmented plane wave (FLAPW) method based on density functional theory (DFT). From the total energies calculated with and without spin polarization we find ferrimagnetic ground states for CeScGe and PrScGe while NdScGe and GdScGe are ferromagnetic. In addition, we find a sizable magnetic moment at the Sc site, increasing from ≈0.10 μ(B) in CeScGe to ≈0.3 μ(B) in GdScGe, confirming the spin polarization of Sc d band electrons. The calculated electric field gradient and magnetic hyperfine fields of the Cd impurity closely agree with the experimental values. We believe spin polarization of Sc 3d band electrons, strongly hybridized with spin polarized 5d band electrons of the rare-earth, enables a long range Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between RE 4f moments which in turn leads to high magnetic ordering temperatures in

  18. Higher Education.

    Science.gov (United States)

    Hendrickson, Robert M.

    This chapter reports 1982 cases involving aspects of higher education. Interesting cases noted dealt with the federal government's authority to regulate state employees' retirement and raised the questions of whether Title IX covers employment, whether financial aid makes a college a program under Title IX, and whether sex segregated mortality…

  19. Reliability calculations

    International Nuclear Information System (INIS)

    Petersen, K.E.

    1986-03-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested. (author)

  20. Calculator calculus

    CERN Document Server

    McCarty, George

    1982-01-01

    How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en­ couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...

  1. Reliability Calculations

    DEFF Research Database (Denmark)

    Petersen, Kurt Erling

    1986-01-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety...... and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic...... approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very...

  2. Status of computational and experimental correlations for Los Alamos fast-neutron critical assemblies; Correlation entre les calculs et les experiences sur les ensembles critiques a neutrons rapides de Los Alamos; Sostoyanie vychislitel'nykh i ehksperimental'nykh korrelyatsij dlya Los-Alamosskoj kriticheskoj sistemy na bystrykh nejtronakh; Conjuntos criticos de neutrones rapidos de Los Alamos; correlacion entre resultados calculados y experimentales

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, G E [Los Alamos Scientific Laboratory, University of California, Los Alamos, NM (United States)

    1962-03-15

    New assemblies and improved measuring techniques call for periodic review of the status of computation vs. experiment. It is appropriate to emphasize neutron-spectral characterizations because of the particularly elusive problems associated with absolute spectral-index measurement and the need for checks of computation beyond simple critical size. The ever-improving spectral-index measurements in conjunction with increasing precision, both of microscopic data for detector and assembly materials and of computational techniques, produce a gradual clarification of the characteristics of a family of fast-neutron critical assemblies. This family now includes unreflected and thick-uranium-reflected U{sup 233} in spherical geometry. Direct correlations among the experimental data will be presented to indicate the a priori possibilities for successful correlations with computation. Sensitivity of computed spectra and critical sizes to neutron-transport models (transport and linear approximations ) and arithmetic approximations (finite angular segmentations and multi-group representations) will be presented for several typical assemblies to help establish the necessary computational detail. Comparisons between experiment and prediction will include, in addition to spectral indices and critical sizes, neutron lifetimes and delayed-neutron fractions. (author) [French] Du fait de la mise en service de nouveaux reacteurs et de l'amelioration des methodes de mesure, il est necessaire de faire periodiquement la correlation des experiences et des calculs. Il est utile d'insister sur les caracterisations de spectres de neutrons a cause des problemes particulieremen t delicats que pose la mesure absolue de l'indice spectral et de la necessite de verifier les calculs au-dela des simples dimensions critiques. Les mesures constamment ameliorees de l'indice spectral, associees a la precision croissante des donnees microscopiques relatives aux materiaux utilises dans les detecteurs et

  3. Nuclear Calculations of Light-Water Moderated Reactors and Experimental Correlations; Calculs de Riacteurs Ralentis a l'Eau Ordinaire et Comparaison avec les Risultats Expirimentaux; Raschet reaktorov s zamedlitelem iz obychnoj vody i sravnenie s ehksperimental'nymi rezul'tatami; Calculos Nucleares de Reactores Moderados por Agua Ligera y Correlacion Experimental

    Energy Technology Data Exchange (ETDEWEB)

    Solanilla, R. [Comision Nacional de Energia Atomica, Buenos Aires (Argentina)

    1964-02-15

    Using the theory of two groups modified by epithermal fissions, we analysed a set of critical systems comprising a reflector and light-water moderator and nuclear fuel consisting of U{sup 235} in various degrees of enrichment. The cross-sections of the thermal group used are those listed in the Tables of Amster for hydrogenated mixtures at different temperatures, U{sup 235} concentrations and 1/v absorbers. The effect of heterogeneity in the cross-sections was dealt with by approximation, modifying the concentrations of the absorbers by spatial variation of the thermal flux in the elementary cell. The disadvantage factor was calculated using the formula of Amouyal-Benoist. The thermal diffusion coefficient was defined as the reciprocal of three times the macroscopic transport cross-section homogenized over the volume of the elementary cell. The constants of the fast group were calculated in accordance with Ombrellaro's scheme for three fast diffusion groups (10 MeV to 0.821 MeV; 0.821 MeV to 5.5 keV; 5.5 keV to 0.625 eV) with microscopic cross-sections fitted for each group. Ombrellaro's definition of the neutron constants for the three fast groups as a function of the fitted cross-sections was modified for the third group in accordance with Hick's treatment of the effective resonance absorption of U{sup 238} , based on the calculation of the effective resonance integral. The calculations were performed by computing the effective resonance integral of U{sup 238} by the formula obtained theoretically by the author and involving reduction of the S/M relationship in accordance with Bell's approximation of the ''Dancoff'' effect. The correlation with the available experimental results, which extend to a wide range of moderation, composition of materials and geometry and which was carried out by comparing some of the main parameters of a lattice and/or effective multiplication, shows satisfactory results, with scattering of generally not more than 2% between calculated

  4. Temporal correlation coefficient for directed networks.

    Science.gov (United States)

    Büttner, Kathrin; Salau, Jennifer; Krieter, Joachim

    2016-01-01

    Previous studies dealing with network theory focused mainly on the static aggregation of edges over specific time window lengths. Thus, most of the dynamic information gets lost. To assess the quality of such a static aggregation the temporal correlation coefficient can be calculated. It measures the overall possibility for an edge to persist between two consecutive snapshots. Up to now, this measure is only defined for undirected networks. Therefore, we introduce the adaption of the temporal correlation coefficient to directed networks. This new methodology enables the distinction between ingoing and outgoing edges. Besides a small example network presenting the single calculation steps, we also calculated the proposed measurements for a real pig trade network to emphasize the importance of considering the edge direction. The farm types at the beginning of the pork supply chain showed clearly higher values for the outgoing temporal correlation coefficient compared to the farm types at the end of the pork supply chain. These farm types showed higher values for the ingoing temporal correlation coefficient. The temporal correlation coefficient is a valuable tool to understand the structural dynamics of these systems, as it assesses the consistency of the edge configuration. The adaption of this measure for directed networks may help to preserve meaningful additional information about the investigated network that might get lost if the edge directions are ignored.

  5. Information criteria and higher Eigenmode estimation in Monte Carlo calculations

    International Nuclear Information System (INIS)

    Nease, B. R.; Ueki, T.

    2007-01-01

    Recently developed Monte Carlo methods of estimating the dominance ratio (DR) rely on autoregressive (AR) fittings of a computed time series. This time series is obtained by applying a projection vector to the fission source distribution of the problem. The AR fitting order necessary to accurately extract the mode corresponding to DR is dependent on the number of fission source bins used. This makes it necessary to examine the convergence of DR as the AR fitting order increases. Therefore, we have investigated if the AR fitting order determined by information criteria can be reliably used to estimate DR. Two information criteria have been investigated: Improved Akaike Information Criteria (AICc) and Minimum Descriptive Length Criteria (MDL). These criteria appear to work well when applied to computations with fine bin structure where the projection vector is applied. (authors)

  6. Spatial correlation of probabilistic earthquake ground motion and loss

    Science.gov (United States)

    Wesson, R.L.; Perkins, D.M.

    2001-01-01

    Spatial correlation of annual earthquake ground motions and losses can be used to estimate the variance of annual losses to a portfolio of properties exposed to earthquakes A direct method is described for the calculations of the spatial correlation of earthquake ground motions and losses. Calculations for the direct method can be carried out using either numerical quadrature or a discrete, matrix-based approach. Numerical results for this method are compared with those calculated from a simple Monte Carlo simulation. Spatial correlation of ground motion and loss is induced by the systematic attenuation of ground motion with distance from the source, by common site conditions, and by the finite length of fault ruptures. Spatial correlation is also strongly dependent on the partitioning of the variability, given an event, into interevent and intraevent components. Intraevent variability reduces the spatial correlation of losses. Interevent variability increases spatial correlation of losses. The higher the spatial correlation, the larger the variance in losses to a port-folio, and the more likely extreme values become. This result underscores the importance of accurately determining the relative magnitudes of intraevent and interevent variability in ground-motion studies, because of the strong impact in estimating earthquake losses to a portfolio. The direct method offers an alternative to simulation for calculating the variance of losses to a portfolio, which may reduce the amount of calculation required.

  7. Spectral analysis by correlation

    International Nuclear Information System (INIS)

    Fauque, J.M.; Berthier, D.; Max, J.; Bonnet, G.

    1969-01-01

    The spectral density of a signal, which represents its power distribution along the frequency axis, is a function which is of great importance, finding many uses in all fields concerned with the processing of the signal (process identification, vibrational analysis, etc...). Amongst all the possible methods for calculating this function, the correlation method (correlation function calculation + Fourier transformation) is the most promising, mainly because of its simplicity and of the results it yields. The study carried out here will lead to the construction of an apparatus which, coupled with a correlator, will constitute a set of equipment for spectral analysis in real time covering the frequency range 0 to 5 MHz. (author) [fr

  8. Importance of the Electron Correlation and Dispersion Corrections in Calculations Involving Enamines, Hemiaminals, and Aminals. Comparison of B3LYP, M06-2X, MP2, and CCSD Results with Experimental Data.

    Science.gov (United States)

    Castro-Alvarez, Alejandro; Carneros, Héctor; Sánchez, Dani; Vilarrasa, Jaume

    2015-12-18

    While B3LYP, M06-2X, and MP2 calculations predict the ΔG° values for exchange equilibria between enamines and ketones with similar acceptable accuracy, the M06-2X/6-311+G(d,p) and MP2/6-311+G(d,p) methods are required for enamine formation reactions (for example, for enamine 5a, arising from 3-methylbutanal and pyrrolidine). Stronger disagreement was observed when calculated energies of hemiaminals (N,O-acetals) and aminals (N,N-acetals) were compared with experimental equilibrium constants, which are reported here for the first time. Although it is known that the B3LYP method does not provide a good description of the London dispersion forces, while M06-2X and MP2 may overestimate them, it is shown here how large the gaps are and that at least single-point calculations at the CCSD(T)/6-31+G(d) level should be used for these reaction intermediates; CCSD(T)/6-31+G(d) and CCSD(T)/6-311+G(d,p) calculations afford ΔG° values in some cases quite close to MP2/6-311+G(d,p) while in others closer to M06-2X/6-311+G(d,p). The effect of solvents is similarly predicted by the SMD, CPCM, and IEFPCM approaches (with energy differences below 1 kcal/mol).

  9. Calculation of Rydberg interaction potentials

    DEFF Research Database (Denmark)

    Weber, Sebastian; Tresp, Christoph; Menke, Henri

    2017-01-01

    for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...... to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source....

  10. Long sequence correlation coprocessor

    Science.gov (United States)

    Gage, Douglas W.

    1994-09-01

    A long sequence correlation coprocessor (LSCC) accelerates the bitwise correlation of arbitrarily long digital sequences by calculating in parallel the correlation score for 16, for example, adjacent bit alignments between two binary sequences. The LSCC integrated circuit is incorporated into a computer system with memory storage buffers and a separate general purpose computer processor which serves as its controller. Each of the LSCC's set of sequential counters simultaneously tallies a separate correlation coefficient. During each LSCC clock cycle, computer enable logic associated with each counter compares one bit of a first sequence with one bit of a second sequence to increment the counter if the bits are the same. A shift register assures that the same bit of the first sequence is simultaneously compared to different bits of the second sequence to simultaneously calculate the correlation coefficient by the different counters to represent different alignments of the two sequences.

  11. Shielding calculational system for plutonium

    International Nuclear Information System (INIS)

    Zimmerman, M.G.; Thomsen, D.H.

    1975-08-01

    A computer calculational system has been developed and assembled specifically for calculating dose rates in AEC plutonium fabrication facilities. The system consists of two computer codes and all nuclear data necessary for calculation of neutron and gamma dose rates from plutonium. The codes include the multigroup version of the Battelle Monte Carlo code for solution of general neutron and gamma shielding problems and the PUSHLD code for solution of shielding problems where low energy gamma and x-rays are important. The nuclear data consists of built in neutron and gamma yields and spectra for various plutonium compounds, an automatic calculation of age effects and all cross-sections commonly used. Experimental correlations have been performed to verify portions of the calculational system. (23 tables, 7 figs, 16 refs) (U.S.)

  12. Biexponential analysis of diffusion-weighted imaging: comparison of three different calculation methods in transplanted kidneys.

    Science.gov (United States)

    Heusch, Philipp; Wittsack, Hans-Jörg; Pentang, Gael; Buchbender, Christian; Miese, Falk; Schek, Julia; Kröpil, Patric; Antoch, Gerald; Lanzman, Rotem S

    2013-12-01

    Biexponential analysis has been used increasingly to obtain contributions of both diffusion and microperfusion to the signal decay in diffusion-weighted imaging DWI of different parts of the body. To compare biexponential diffusion parameters of transplanted kidneys obtained with three different calculation methods. DWI was acquired in 15 renal allograft recipients (eight men, seven women; mean age, 52.4 ± 14.3 years) using a paracoronal EPI sequence with 16 b-values (b = 0-750 s/mm(2)) and six averages at 1.5T. No respiratory gating was used. Three different calculation methods were used for the calculation of biexponential diffusion parameters: Fp, ADCP, and ADCD were calculated without fixing any parameter a priori (calculation method 1); ADCP was fixed to 12.0 µm(2)/ms, whereas Fp and ADCD were calculated using the biexponential model (calculation method 2); multistep approach with monoexponential fitting of the high b-value portion (b ≥ 250 s/mm(2)) for determination of ADCD and assessment of the low b intercept for determination of Fp (calculation method 3). For quantitative analysis, ROI measurements were performed on the according parameter maps. Mean ADCD values of the renal cortex using calculation method 1 were significantly lower than using calculation methods 2 and 3 (P < 0.001). There was a significant correlation between calculation methods 1 and 2 (r = 0.69 (P < 0.005) and calculation methods 1 and 3 (r = 0.59; P < 0.05) as well as calculation methods 2 and 3 (r = 0.98; P < 0.001). Mean Fp values of the renal cortex were higher with calculation method 1 than with calculation methods 2 and 3 (P < 0.001). For Fp, only the correlation between calculation methods 2 and 3 was significant (r = 0.98; P < 0.001). Biexponential diffusion parameters differ significantly depending on the calculation methods used for their calculation.

  13. Spatial and temporal correlation in dynamic, multi-electron quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Godunov, A.L.; McGuire, J.H.; Shakov, Kh.Kh. [Department of Physics, Tulane University, New Orleans, LA (United States); Ivanov, P.B.; Shipakov, V.A. [Troitsk Institute for Innovation and Fusion Research, Troitsk (Russian Federation); Merabet, H.; Bruch, R.; Hanni, J. [Department of Physics, University of Nevada Reno, Reno, NV (United States)

    2001-12-28

    Cross sections for ionization with excitation and for double excitation in helium are evaluated in a full second Born calculation. These full second Born calculations are compared to calculations in the independent electron approximation, where spatial correlation between the electrons is removed. Comparison is also made to calculations in the independent time approximation, where time correlation between the electrons is removed. The two-electron transitions considered here are caused by interactions with incident protons and electrons with velocities ranging between 2 and 10 au. Good agreement is found between our full calculations and experiment, except for the lowest velocities, where higher Born terms are expected to be significant. Spatial electron correlation, arising from internal electron-electron interactions, and time correlation, arising from time ordering of the external interactions, can both give rise to observable effects. Our method may be used for photon impact. (author)

  14. Correlations in Many-Body systems from two-time Greens functions

    International Nuclear Information System (INIS)

    Morawetz, K.; Kohler, H.S.

    2000-01-01

    The Kadanoff-Baym (KB) equations are solved numerically for infinite nuclear matter. In particular we calculate correlation energies and correlation times. Approximating the Green's functions in the KB collision kernel by the free Green's functions the Levinson equation is obtained. This approximation is valid for weak interactions and/or low densities. It relates to the extended quasi-particle approximation for the spectral function. The Levinson correlation energy reduces for large times to a second order Born approximation for the energy. Comparing the Levinson, Born and KB calculations allows for an estimate of higher order spectral corrections to the correlations. (authors)

  15. Improved survival in rhesus macaques immunized with modified vaccinia virus Ankara recombinants expressing simian immunodeficiency virus envelope correlates with reduction in memory CD4+ T-cell loss and higher titers of neutralizing antibody.

    Science.gov (United States)

    Ourmanov, Ilnour; Kuwata, Takeo; Goeken, Robert; Goldstein, Simoy; Iyengar, Ranjani; Buckler-White, Alicia; Lafont, Bernard; Hirsch, Vanessa M

    2009-06-01

    Previous studies demonstrated that immunization of macaques with simian immunodeficiency virus (SIV) Gag-Pol and Env recombinants of the attenuated poxvirus modified vaccinia virus Ankara (MVA) provided protection from high viremia and AIDS following challenge with a pathogenic strain of SIV. Although all animals became infected, plasma viremia was significantly reduced in animals that received the MVA-SIV recombinant vaccines compared with animals that received nonrecombinant MVA. Most importantly, the reduction in viremia resulted in a significant increase in median and cumulative survival. Continued analysis of these animals over the subsequent 9 years has shown that they maintain a survival advantage, although all but two of the macaques have progressed to AIDS. Importantly, improved survival correlated with preservation of memory CD4(+) T cells in the peripheral blood. The greatest survival advantage was observed in macaques immunized with regimens containing SIV Env, and the titer of neutralizing antibodies to the challenge virus prior to or shortly following challenge correlated with preservation of CD4(+) T cells. These data are consistent with a role for neutralizing antibodies in nonsterilizing protection from high viremia and associated memory CD4(+) T-cell loss.

  16. Luminescence of Cr{sup 3+} ions in ZnAl{sub 2}O{sub 4} and MgAl{sub 2}O{sub 4} spinels: correlation between experimental spectroscopic studies and crystal field calculations

    Energy Technology Data Exchange (ETDEWEB)

    Brik, M.G., E-mail: mikhail.brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, W. Ostwald Str. 1, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa PL-42200 (Poland); Papan, J.; Jovanović, D.J. [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, Belgrade 11001 (Serbia); Dramićanin, M.D., E-mail: dramican@vinca.rs [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, Belgrade 11001 (Serbia)

    2016-09-15

    Details of preparation, spectroscopic and structural studies along with crystal field calculations for two Cr{sup 3+} doped spinels MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} are given in the present paper. Both compounds show efficient red emission at about 685 nm, which is due to the {sup 2}E{sub g} → {sup 4}A{sub 2g} spin-forbidden transition of Cr{sup 3+} ions located at the sites with D{sub 3d} local symmetry. Analysis of structure of the CrO{sub 6} clusters was performed; comparison of the crystal field effects in both compounds revealed that the low-symmetry splitting of the orbital triplet states is more pronounced in ZnAl{sub 2}O{sub 4}. Both compounds show potential for applications as red-emitting phosphors. - Highlights: • Cr{sup 3+}-doped MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} spinels were synthesized. • Excitation/emission spectra were recorded and analyzed. • Symmetry properties of the Cr-sites were analyzed. • Cr{sup 3+} energy levels in trigonal crystal field were calculated. • Cr{sup 3+}-doped MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} spinels can be used as red phosphors.

  17. COAGULATION CALCULATIONS OF ICY PLANET FORMATION AT 15-150 AU: A CORRELATION BETWEEN THE MAXIMUM RADIUS AND THE SLOPE OF THE SIZE DISTRIBUTION FOR TRANS-NEPTUNIAN OBJECTS

    Energy Technology Data Exchange (ETDEWEB)

    Kenyon, Scott J. [Smithsonian Astrophysical Observatory, 60 Garden Street, Cambridge, MA 02138 (United States); Bromley, Benjamin C., E-mail: skenyon@cfa.harvard.edu, E-mail: bromley@physics.utah.edu [Department of Physics, University of Utah, 201 JFB, Salt Lake City, UT 84112 (United States)

    2012-03-15

    We investigate whether coagulation models of planet formation can explain the observed size distributions of trans-Neptunian objects (TNOs). Analyzing published and new calculations, we demonstrate robust relations between the size of the largest object and the slope of the size distribution for sizes 0.1 km and larger. These relations yield clear, testable predictions for TNOs and other icy objects throughout the solar system. Applying our results to existing observations, we show that a broad range of initial disk masses, planetesimal sizes, and fragmentation parameters can explain the data. Adding dynamical constraints on the initial semimajor axis of 'hot' Kuiper Belt objects along with probable TNO formation times of 10-700 Myr restricts the viable models to those with a massive disk composed of relatively small (1-10 km) planetesimals.

  18. Correlation length estimation in a polycrystalline material model

    International Nuclear Information System (INIS)

    Simonovski, I.; Cizelj, L.

    2005-01-01

    This paper deals with the correlation length estimated from a mesoscopic model of a polycrystalline material. The correlation length can be used in some macroscopic material models as a material parameter that describes the internal length. It can be estimated directly from the strain and stress fields calculated from a finite-element model, which explicitly accounts for the selected mesoscopic features such as the random orientation, shape and size of the grains. A crystal plasticity material model was applied in the finite-element analysis. Different correlation lengths were obtained depending on the used set of crystallographic orientations. We determined that the different sets of crystallographic orientations affect the general level of the correlation length, however, as the external load is increased the behaviour of correlation length is similar in all the analyzed cases. The correlation lengths also changed with the macroscopic load. If the load is below the yield strength the correlation lengths are constant, and are slightly higher than the average grain size. The correlation length can therefore be considered as an indicator of first plastic deformations in the material. Increasing the load above the yield strength creates shear bands that temporarily increase the values of the correlation lengths calculated from the strain fields. With a further load increase the correlation lengths decrease slightly but stay above the average grain size. (author)

  19. A CORRELATIONAL STUDY OF THE SOCIO-HUMANISTIC AREA IN SOME HIGHER EDUCATIONAL INSTITUTIONS IN COLOMBIA. Estudio correlacional del área sociohumnistica en algunas instituciones de Educación Superior en Colombia.

    Directory of Open Access Journals (Sweden)

    Luis Fernando Sanchez S.

    2010-12-01

    Full Text Available The following text introduces a description and analysis of the information obtained from documentary and statistical consultation in the various universities. It makes a comparative description of the curricular components that make up the unit in each of the Saint Bonaventure University branches, Colombia, and other higher institutions which are taken into consideration for the current study.RESUMEN: El siguiente texto presenta la descripción y análisis de la información obtenida a partir de la consulta documental y a expertos en las distintas instituciones universitarias. Hace una descripción comparativa de los componentes curriculares que integran la unidad en cada una de las seccionales USB Colombia y otras instituciones tenidas en cuenta para el presente estudio.

  20. Hyperfine interactions in MnAs studied by perturbed angular correlations of $\\gamma$-rays using the probe $^{77}$Br $\\rightarrow ^{77}$Se and first principles calculations for MnAs and other Mn pnictides

    CERN Document Server

    Gonçalves, J N; Correia, J G; Lopes, A M L

    2011-01-01

    The MnAs compound shows a first-order transition at T$_{c}$≈ 42$^{\\circ}$C, and a second-order transition at T$_{t}$ ≈120$^{\\circ}$C. The first-order transition, with structural (hexagonal-orthorhombic), magnetic (FM-PM) and electrical conductivity changes, is associated to magnetocaloric, magnetoelastic, and magnetoresistance effects. We report a study in a large temperature range from −196$^{\\circ}$C up to 140$^{\\circ}$C, using the $\\gamma\\!-\\!\\gamma$ perturbed angular correlations method with the radioactive probe $^{77}$Br→$^{77}$Se, produced at the ISOLDE-CERN facility. The electric field gradients and magnetic hyperfine fields are determined across the first- and second-order phase transitions encompassing the pure and mixed phase regimes in cooling and heating cycles. The temperature irreversibility of the 1st order phase transition is seen locally, at the nanoscopic scale sensitivity of the hyperfine field, by its hysteresis, detailing and complementing information obtained with macroscopic me...

  1. Matrix model calculations beyond the spherical limit

    International Nuclear Information System (INIS)

    Ambjoern, J.; Chekhov, L.; Kristjansen, C.F.; Makeenko, Yu.

    1993-01-01

    We propose an improved iterative scheme for calculating higher genus contributions to the multi-loop (or multi-point) correlators and the partition function of the hermitian one matrix model. We present explicit results up to genus two. We develop a version which gives directly the result in the double scaling limit and present explicit results up to genus four. Using the latter version we prove that the hermitian and the complex matrix model are equivalent in the double scaling limit and that in this limit they are both equivalent to the Kontsevich model. We discuss how our results away from the double scaling limit are related to the structure of moduli space. (orig.)

  2. Higher prevalence of sexual transmitted diseases and correlates of genital warts among heterosexual males attending sexually transmitted infection clinics (MSCs) in Jiangmen, China: implication for the up-taking of STD related service.

    Science.gov (United States)

    Huang, Shujie; Tang, Weiming; Zhu, Zhengjun; Lu, Hekun; Tan, Xueling; Zhang, Baoyuan; Best, John; Yang, Ligang; Zheng, Heping; Jiang, Ning; Yin, Yueping; Yang, Bin; Chen, Xiangsheng

    2015-01-01

    Increasing burden of STDs is one of China's major public health concerns. However, only a limited number of studies have ever investigated the prevalence of these STDs, particular for genital warts and its correlates among heterosexual males attending STD clinics in China. In order to fill this gap, we conducted a cross-sectional study among MSCs in Jiangmen, China, between the years of 2009 and 2010. The eligible participants were recruited from several STD-clinics in public hospitals. We collected demographic information and behaviors of the participants. After HIV and syphilis testing, we further checked whether the participants had genital warts and genital herpes. In addition, urine samples were collected from part of the participants for CT and NG testing. Of the 533 eligible participants, over three-fifths were aged 35 or below, nearly three quarters had no college degree, over three-fifths were residence of Jiangmen. The prevalence of HIV, syphilis, genital warts, genital herpes, CT and NG were 0.19%, 7.50%, 7.32%, 5.25%, 9.73% and 6.19%, respectively. Living with family members (versus living alone), no STD-related service in past year, experiencing STDs related symptoms in past year, and sex with FSWs in last three months were positively associated with genital warts, with adjusted ORs of 5.54 (95% CI 1.94-15.81), 2.26 (95% CI 1.08-4.74), 1.99 (95% CI 1.00-3.99) and 2.01 (95% CI 1.00-4.04), respectively. Our study indicates that the prevalence of STDs among MSCs in Jiangmen was high, which may further spread HIV among MSCs. Targeted interventions that focused on STDs related services uptake should be implemented urgently.

  3. Higher prevalence of sexual transmitted diseases and correlates of genital warts among heterosexual males attending sexually transmitted infection clinics (MSCs in Jiangmen, China: implication for the up-taking of STD related service.

    Directory of Open Access Journals (Sweden)

    Shujie Huang

    Full Text Available Increasing burden of STDs is one of China's major public health concerns. However, only a limited number of studies have ever investigated the prevalence of these STDs, particular for genital warts and its correlates among heterosexual males attending STD clinics in China. In order to fill this gap, we conducted a cross-sectional study among MSCs in Jiangmen, China, between the years of 2009 and 2010.The eligible participants were recruited from several STD-clinics in public hospitals. We collected demographic information and behaviors of the participants. After HIV and syphilis testing, we further checked whether the participants had genital warts and genital herpes. In addition, urine samples were collected from part of the participants for CT and NG testing.Of the 533 eligible participants, over three-fifths were aged 35 or below, nearly three quarters had no college degree, over three-fifths were residence of Jiangmen. The prevalence of HIV, syphilis, genital warts, genital herpes, CT and NG were 0.19%, 7.50%, 7.32%, 5.25%, 9.73% and 6.19%, respectively. Living with family members (versus living alone, no STD-related service in past year, experiencing STDs related symptoms in past year, and sex with FSWs in last three months were positively associated with genital warts, with adjusted ORs of 5.54 (95% CI 1.94-15.81, 2.26 (95% CI 1.08-4.74, 1.99 (95% CI 1.00-3.99 and 2.01 (95% CI 1.00-4.04, respectively.Our study indicates that the prevalence of STDs among MSCs in Jiangmen was high, which may further spread HIV among MSCs. Targeted interventions that focused on STDs related services uptake should be implemented urgently.

  4. Higher curvature self-interaction corrections to Hawking radiation

    Science.gov (United States)

    Fairoos, C.; Sarkar, Sudipta; Yogendran, K. P.

    2017-07-01

    The purely thermal nature of Hawking radiation from evaporating black holes leads to the information loss paradox. A possible route to its resolution could be if (enough) correlations are shown to be present in the radiation emitted from evaporating black holes. A reanalysis of Hawking's derivation including the effects of self-interactions in general relativity shows that the emitted radiation does deviate from pure thermality; however no correlations exist between successively emitted Hawking quanta. We extend the calculations to Einstein-Gauss-Bonnet gravity and investigate if higher curvature corrections to the action lead to some new correlations in the Hawking spectra. The effective trajectory of a massless shell is determined by solving the constraint equations and the semiclassical tunneling probability is calculated. As in the case of general relativity, the radiation is no longer thermal and there is no correlation between successive emissions. The absence of any extra correlations in the emitted radiations even in Gauss-Bonnet gravity suggests that the resolution of the paradox is beyond the scope of semiclassical gravity.

  5. Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations.

    Science.gov (United States)

    Suturina, Elizaveta A; Nehrkorn, Joscha; Zadrozny, Joseph M; Liu, Junjie; Atanasov, Mihail; Weyhermüller, Thomas; Maganas, Dimitrios; Hill, Stephen; Schnegg, Alexander; Bill, Eckhard; Long, Jeffrey R; Neese, Frank

    2017-03-06

    The magnetic properties of pseudotetrahedral Co(II) complexes spawned intense interest after (PPh 4 ) 2 [Co(SPh) 4 ] was shown to be the first mononuclear transition-metal complex displaying slow relaxation of the magnetization in the absence of a direct current magnetic field. However, there are differing reports on its fundamental magnetic spin Hamiltonian (SH) parameters, which arise from inherent experimental challenges in detecting large zero-field splittings. There are also remarkable changes in the SH parameters of [Co(SPh) 4 ] 2- upon structural variations, depending on the counterion and crystallization conditions. In this work, four complementary experimental techniques are utilized to unambiguously determine the SH parameters for two different salts of [Co(SPh) 4 ] 2- : (PPh 4 ) 2 [Co(SPh) 4 ] (1) and (NEt 4 ) 2 [Co(SPh) 4 ] (2). The characterization methods employed include multifield SQUID magnetometry, high-field/high-frequency electron paramagnetic resonance (HF-EPR), variable-field variable-temperature magnetic circular dichroism (VTVH-MCD), and frequency domain Fourier transform THz-EPR (FD-FT THz-EPR). Notably, the paramagnetic Co(II) complex [Co(SPh) 4 ] 2- shows strong axial magnetic anisotropy in 1, with D = -55(1) cm -1 and E/D = 0.00(3), but rhombic anisotropy is seen for 2, with D = +11(1) cm -1 and E/D = 0.18(3). Multireference ab initio CASSCF/NEVPT2 calculations enable interpretation of the remarkable variation of D and its dependence on the electronic structure and geometry.

  6. Spreading of correlations in the Falicov-Kimball model

    Science.gov (United States)

    Herrmann, Andreas J.; Antipov, Andrey E.; Werner, Philipp

    2018-04-01

    We study dynamical properties of the one- and two-dimensional Falicov-Kimball model using lattice Monte Carlo simulations. In particular, we calculate the spreading of charge correlations in the equilibrium model and after an interaction quench. The results show a reduction of the light-cone velocity with interaction strength at low temperature, while the phase velocity increases. At higher temperature, the initial spreading is determined by the Fermi velocity of the noninteracting system and the maximum range of the correlations decreases with increasing interaction strength. Charge order correlations in the disorder potential enhance the range of the correlations. We also use the numerically exact lattice Monte Carlo results to benchmark the accuracy of equilibrium and nonequilibrium dynamical cluster approximation calculations. It is shown that the bias introduced by the mapping to a periodized cluster is substantial, and that from a numerical point of view, it is more efficient to simulate the lattice model directly.

  7. Correlators of Ramond-Neveu-Schwarz fields in string theory

    Energy Technology Data Exchange (ETDEWEB)

    Haertl, Daniel

    2011-07-15

    In this thesis we provide calculational tools in order to calculate scattering amplitudes in string theory at tree- and loop-level. In particular, we discuss the calculation of correlation functions consisting of Ramond-Neveu-Schwarz fields in four, six, eight and ten space-time dimensions and calculate the amplitude involving two gauge fields and four gauginos at tree-level. Multi-parton superstring amplitudes are of considerable theoretical interest in the frame-work of a full-fledged superstring theory and of phenomenological interest in describing corrections to four-dimensional scattering processes. The Neveu-Schwarz fermions and Ramond spin fields enter the scattering amplitudes through vertex operators of bosonic and fermionic string states and determine the Lorentz structure of the total amplitude. Due to their interacting nature their correlators cannot be evaluated using Wick's theorem but must be calculated from first principles. At tree-level such correlation functions can be determined by analyzing their Lorentz and singularity structure. In four space-time dimensions we show how to calculate Ramond- Neveu-Schwarz correlators with any number of fields. This method is based on factorizing the expressions into correlators involving only left- or right-handed spin fields and calculating these functions. This factorization property does not hold in higher dimensions. Nevertheless, we are able to calculate certain classes of correlators with arbitrary many fields. Additionally, in eight dimensions we can profit from SO(8) triality to derive further tree-level correlation functions. Ramond-Neveu-Schwarz correlators at loop-level can be evaluated by re-expressing the fermions and spin fields in terms of SO(2) spin system operators. Using this method we present expressions for all correlators up to six-point level and show in addition results for certain classes of correlators with any number of fields. Our findings hold for string scattering at arbitrary

  8. Correlators of Ramond-Neveu-Schwarz fields in string theory

    International Nuclear Information System (INIS)

    Haertl, Daniel

    2011-01-01

    In this thesis we provide calculational tools in order to calculate scattering amplitudes in string theory at tree- and loop-level. In particular, we discuss the calculation of correlation functions consisting of Ramond-Neveu-Schwarz fields in four, six, eight and ten space-time dimensions and calculate the amplitude involving two gauge fields and four gauginos at tree-level. Multi-parton superstring amplitudes are of considerable theoretical interest in the frame-work of a full-fledged superstring theory and of phenomenological interest in describing corrections to four-dimensional scattering processes. The Neveu-Schwarz fermions and Ramond spin fields enter the scattering amplitudes through vertex operators of bosonic and fermionic string states and determine the Lorentz structure of the total amplitude. Due to their interacting nature their correlators cannot be evaluated using Wick's theorem but must be calculated from first principles. At tree-level such correlation functions can be determined by analyzing their Lorentz and singularity structure. In four space-time dimensions we show how to calculate Ramond- Neveu-Schwarz correlators with any number of fields. This method is based on factorizing the expressions into correlators involving only left- or right-handed spin fields and calculating these functions. This factorization property does not hold in higher dimensions. Nevertheless, we are able to calculate certain classes of correlators with arbitrary many fields. Additionally, in eight dimensions we can profit from SO(8) triality to derive further tree-level correlation functions. Ramond-Neveu-Schwarz correlators at loop-level can be evaluated by re-expressing the fermions and spin fields in terms of SO(2) spin system operators. Using this method we present expressions for all correlators up to six-point level and show in addition results for certain classes of correlators with any number of fields. Our findings hold for string scattering at arbitrary loop

  9. Magnetic Field Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...

  10. Superadditive correlation

    International Nuclear Information System (INIS)

    Giraud, B.G.; Heumann, J.M.; Lapedes, A.S.

    1999-01-01

    The fact that correlation does not imply causation is well known. Correlation between variables at two sites does not imply that the two sites directly interact, because, e.g., correlation between distant sites may be induced by chaining of correlation between a set of intervening, directly interacting sites. Such 'noncausal correlation' is well understood in statistical physics: an example is long-range order in spin systems, where spins which have only short-range direct interactions, e.g., the Ising model, display correlation at a distance. It is less well recognized that such long-range 'noncausal' correlations can in fact be stronger than the magnitude of any causal correlation induced by direct interactions. We call this phenomenon superadditive correlation (SAC). We demonstrate this counterintuitive phenomenon by explicit examples in (i) a model spin system and (ii) a model continuous variable system, where both models are such that two variables have multiple intervening pathways of indirect interaction. We apply the technique known as decimation to explain SAC as an additive, constructive interference phenomenon between the multiple pathways of indirect interaction. We also explain the effect using a definition of the collective mode describing the intervening spin variables. Finally, we show that the SAC effect is mirrored in information theory, and is true for mutual information measures in addition to correlation measures. Generic complex systems typically exhibit multiple pathways of indirect interaction, making SAC a potentially widespread phenomenon. This affects, e.g., attempts to deduce interactions by examination of correlations, as well as, e.g., hierarchical approximation methods for multivariate probability distributions, which introduce parameters based on successive orders of correlation. copyright 1999 The American Physical Society

  11. Growing correlation length on cooling below the onset of caging in a simulated glass-forming liquid

    DEFF Research Database (Denmark)

    Lačević, N.; Starr, F. W.; Schrøder, Thomas

    2002-01-01

    We present a calculation of a fourth-order, time-dependent density correlation function that measures higher-order spatiotemporal correlations of the density of a liquid. From molecular dynamics simulations of a glass-forming Lennard-Jones liquid, we find that the characteristic length scale...... of the dynamics of the liquid in the alpha-relaxation regime....

  12. CO2 flowrate calculator

    International Nuclear Information System (INIS)

    Carossi, Jean-Claude

    1969-02-01

    A CO 2 flowrate calculator has been designed for measuring and recording the gas flow in the loops of Pegase reactor. The analog calculator applies, at every moment, Bernoulli's formula to the values that characterize the carbon dioxide flow through a nozzle. The calculator electronics is described (it includes a sampling calculator and a two-variable function generator), with its amplifiers, triggers, interpolator, multiplier, etc. Calculator operation and setting are presented

  13. Particle-hole calculation of the isobaric analog and isovector monopole resonances

    International Nuclear Information System (INIS)

    Auerbach, N.; Nguyen Van Giai

    1977-06-01

    The correlated proton particle-neutron hole spectrum is calculated for N>Z nuclei using a Skyrme type interaction and the response function method. The basis of the calculation is a complete one particle-one hole space with the continuum included. As a result the distribution of the isovector monopole strength in the analog nucleus is obtained. This distribution has a narrow peak which corresponds to the isobaric analog resonance and at higher energies a broad peak which is the isovector monopole resonance. The coupling between these two states is inherent in the calculation

  14. Correlations in plasma in thermodynamic equilibrium; Les correlations dans un plasma en equilibre

    Energy Technology Data Exchange (ETDEWEB)

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

    1958-07-01

    This paper treats of a fully, ionized plasma in thermodynamic equilibrium. An attempt is made at reviewing the calculation of spatial correlations in such a plasma. The equation of recurrence and the principle of superposition are used. The linear approximation is first treated. The next higher approximation is studied in the case of a neutral homogeneous and isotropic plasma. (author) [French] Un plasma completement ionise est en equilibre thermodynamique. On tente une mise au point du calcul des correlations de position dans ce plasma. On utilise les equations de recurrence et le principe de superposition. On expose d'abord l'approximation lineaire. Dans le cas d'un plasma neutre homogene et isotrope l'etude est poursuivie a l'approximation suivante. (auteur)

  15. A unitary correlation operator method

    International Nuclear Information System (INIS)

    Feldmeier, H.; Neff, T.; Roth, R.; Schnack, J.

    1997-09-01

    The short range repulsion between nucleons is treated by a unitary correlation operator which shifts the nucleons away from each other whenever their uncorrelated positions are within the repulsive core. By formulating the correlation as a transformation of the relative distance between particle pairs, general analytic expressions for the correlated wave functions and correlated operators are given. The decomposition of correlated operators into irreducible n-body operators is discussed. The one- and two-body-irreducible parts are worked out explicitly and the contribution of three-body correlations is estimated to check convergence. Ground state energies of nuclei up to mass number A=48 are calculated with a spin-isospin-dependent potential and single Slater determinants as uncorrelated states. They show that the deduced energy-and mass-number-independent correlated two-body Hamiltonian reproduces all ''exact'' many-body calculations surprisingly well. (orig.)

  16. Thermohydraulic calculations of PWR primary circuits

    International Nuclear Information System (INIS)

    Botelho, D.A.

    1984-01-01

    Some mathematical and numerical models from Retran computer codes aiming to simulate reactor transients, are presented. The equations used for calculating one-dimensional flow are integrated using mathematical methods from Flash code, with steam code to correlate the variables from thermodynamic state. The algorithm obtained was used for calculating a PWR reactor. (E.G.) [pt

  17. Propagation calculation for reactor cases

    Energy Technology Data Exchange (ETDEWEB)

    Yang Yanhua [School of Power and Energy Engineering, Shanghai Jiao Tong Univ., Shanghai (China); Moriyama, K.; Maruyama, Y.; Nakamura, H.; Hashimoto, K. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2000-11-01

    The propagation of steam explosion for real reactor geometry and conditions are investigated by using the computer code JASMINE-pro. The ex-vessel steam explosion is considered, which is described as follow: during the accident of reactor core meltdown, the molten core melts a hole at the bottom of reactor vessel and causes the higher temperature core fuel being leaked into the water pool below reactor vessel. During the melt-water mixing interaction process, the high temperature melt evaporates the cool water at an extreme high rate and might induce a steam explosion. A steam explosion could experience first the premixing phase and then the propagation explosion phase. For a propagation calculation, we should know the information about the initial fragmentation time, the total melt mass, premixing region size, initial void fraction and distribution of the melt volume fraction, and so on. All the initial conditions used in this calculation are based on analyses from some simple assumptions and the observation from the experiments. The results show that the most important parameter for the initial condition of this phase is the total mass and its initial distribution. This gives the requirement for a premixing calculation. On the other hand, for higher melt volume fraction case, the fragmentation is strong so that the local pressure can exceed over the EOS maximum pressure of the code, which lead to the incorrect calculation or divergence of the calculation. (Suetake, M.)

  18. Heterogeneous Calculation of {epsilon}

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Alf

    1961-02-15

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

  19. Heterogeneous Calculation of ε

    International Nuclear Information System (INIS)

    Jonsson, Alf

    1961-02-01

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

  20. correlates of course anxiety and academic procrastination in higher

    African Journals Online (AJOL)

    LUCY

    Statistics anxiety and academic procrastination of teacher-participants were measured using the. Statistical Anxiety .... for graduate students in the social sciences. (Onwuegbuzie ... College students report problems with procrastination on ...

  1. Frequency Rates and Correlates of Contrapower Harassment in Higher Education

    Science.gov (United States)

    DeSouza, Eros R.

    2011-01-01

    The current study investigated incivility, sexual harassment, and racial-ethnic harassment simultaneously when the targets were faculty members and the perpetrators were students (i.e., academic contrapower harassment; ACH). The sample constituted 257 faculty members (90% were White and 53% were women) from a medium-sized state university in the…

  2. Calculation of Rydberg interaction potentials

    International Nuclear Information System (INIS)

    Weber, Sebastian; Büchler, Hans Peter; Tresp, Christoph; Urvoy, Alban; Hofferberth, Sebastian; Menke, Henri; Firstenberg, Ofer

    2017-01-01

    The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence can be fine-tuned with great flexibility by choosing appropriate Rydberg states and applying external electric and magnetic fields. More and more experiments are probing this interaction at short atomic distances or with such high precision that perturbative calculations as well as restrictions to the leading dipole–dipole interaction term are no longer sufficient. In this tutorial, we review all relevant aspects of the full calculation of Rydberg interaction potentials. We discuss the derivation of the interaction Hamiltonian from the electrostatic multipole expansion, numerical and analytical methods for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source. (tutorial)

  3. Relative Hazard Calculation Methodology

    International Nuclear Information System (INIS)

    DL Strenge; MK White; RD Stenner; WB Andrews

    1999-01-01

    The methodology presented in this document was developed to provide a means of calculating the RH ratios to use in developing useful graphic illustrations. The RH equation, as presented in this methodology, is primarily a collection of key factors relevant to understanding the hazards and risks associated with projected risk management activities. The RH equation has the potential for much broader application than generating risk profiles. For example, it can be used to compare one risk management activity with another, instead of just comparing it to a fixed baseline as was done for the risk profiles. If the appropriate source term data are available, it could be used in its non-ratio form to estimate absolute values of the associated hazards. These estimated values of hazard could then be examined to help understand which risk management activities are addressing the higher hazard conditions at a site. Graphics could be generated from these absolute hazard values to compare high-hazard conditions. If the RH equation is used in this manner, care must be taken to specifically define and qualify the estimated absolute hazard values (e.g., identify which factors were considered and which ones tended to drive the hazard estimation)

  4. Calculation correlations for radioisotope level gages with relay tracing systems

    International Nuclear Information System (INIS)

    Krejndlin, I.I.; Pakhunkov, Yu.I.

    1978-01-01

    The interrelationship was examined between the operational and instrumental parameters of radioisotope tracking level indicators. The relationships were obtained permitting to check the reliability of the tracking regime, and also of the equilibrium state of the radioisotope tracking level indicator

  5. Reactivity of lignin and lignans: Correlation with molecular orbital calculations

    Science.gov (United States)

    Thomas Elder

    2010-01-01

    To date, and as can be seen from the other chapters of this text, the structure and chemistry of lignin have been described in terms of results from a wide range of chemical or spectroscopic methods to construct a mosaic picture of the polymer. The current chapter continues this process by describing past, present and potential applications of electronic structure...

  6. Reliability of Structural Systems with Correlated Elements

    DEFF Research Database (Denmark)

    Thoft-Christensen, Palle; Sørensen, John Dalsgaard

    1982-01-01

    Calculation of the probability of failure of a system with correlation members is usually a difficult and time-consuming numerical problem. However, for some types of systems with equally correlated elements this calculation can be performed in a simple way. This has suggested two new methods bas...... on so-called average and equivalent correlation coefficients. By using these methods approximate values for the probability of failure can easily be calculated. The accuracy of these methods is illustrated with examples....

  7. Insertion device calculations with mathematica

    Energy Technology Data Exchange (ETDEWEB)

    Carr, R. [Stanford Synchrotron Radiation Lab., CA (United States); Lidia, S. [Univ. of California, Davis, CA (United States)

    1995-02-01

    The design of accelerator insertion devices such as wigglers and undulators has usually been aided by numerical modeling on digital computers, using code in high level languages like Fortran. In the present era, there are higher level programming environments like IDL{reg_sign}, MatLab{reg_sign}, and Mathematica{reg_sign} in which these calculations may be performed by writing much less code, and in which standard mathematical techniques are very easily used. The authors present a suite of standard insertion device modeling routines in Mathematica to illustrate the new techniques. These routines include a simple way to generate magnetic fields using blocks of CSEM materials, trajectory solutions from the Lorentz force equations for given magnetic fields, Bessel function calculations of radiation for wigglers and undulators and general radiation calculations for undulators.

  8. Calculation of integrated biological response in brachytherapy

    International Nuclear Information System (INIS)

    Dale, Roger G.; Coles, Ian P.; Deehan, Charles; O'Donoghue, Joseph A.

    1997-01-01

    tissues close to the treatment sources will be higher with HDR than for LDR. Conversely, the integrated biological effect on structures more distant from the sources will be less with HDR. This provides quantitative confirmation of an idea proposed elsewhere, and suggests the existence of a potentially useful biological advantage for HDR brachytherapy delivered in relatively small fraction numbers and which is not apparent when considering radiobiological effect only at discrete reference points. Conclusion: The estimation and direct calculation of integrated biological response in brachytherapy are both relatively straightforward. Although the tabular data presented here result from considering only simple geometrical cases, and may thus overestimate the consequences of dose gradients in multiplanar clinical applications, the methods described may open the way to the development of more realistic radiobiological software, and to more systematic approaches for correlating physical dose and biological effect in brachytherapy

  9. Quantum chemistry by random walk: Higher accuracy

    International Nuclear Information System (INIS)

    Anderson, J.B.

    1980-01-01

    The random walk method of solving the Schroedinger equation is extended to allow the calculation of eigenvalues of atomic and molecular systems with higher accuracy. The combination of direct calculation of the difference delta between a true wave function psi and a trial wave function psi/sub o/ with importance sampling greatly reduces systematic and statistical error. The method is illustrated with calculations for ground-state hydrogen and helium atoms using trial wave functions from variational calculations. The energies obtained are 20 to 100 times more accurate than those of the corresponding variational calculations

  10. Coil protection calculator for TFTR

    International Nuclear Information System (INIS)

    Marsala, R.J.; Woolley, R.D.

    1987-01-01

    A new coil protection calculator (CPC) is presented in this paper. It is now being developed for TFTR's magnetic field coils will replace the existing coil fault detector. The existing fault detector sacrifices TFTR operating capability for simplicity. The new CPC will permit operation up to the actual coil limits by accurately and continuously computing coil parameters in real-time. The improvement will allow TFTR to operate with higher plasma currents and will permit the optimization of pulse repetition rates

  11. Core calculations of JMTR

    Energy Technology Data Exchange (ETDEWEB)

    Nagao, Yoshiharu [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

    1998-03-01

    In material testing reactors like the JMTR (Japan Material Testing Reactor) of 50 MW in Japan Atomic Energy Research Institute, the neutron flux and neutron energy spectra of irradiated samples show complex distributions. It is necessary to assess the neutron flux and neutron energy spectra of an irradiation field by carrying out the nuclear calculation of the core for every operation cycle. In order to advance core calculation, in the JMTR, the application of MCNP to the assessment of core reactivity and neutron flux and spectra has been investigated. In this study, in order to reduce the time for calculation and variance, the comparison of the results of the calculations by the use of K code and fixed source and the use of Weight Window were investigated. As to the calculation method, the modeling of the total JMTR core, the conditions for calculation and the adopted variance reduction technique are explained. The results of calculation are shown. Significant difference was not observed in the results of neutron flux calculations according to the difference of the modeling of fuel region in the calculations by K code and fixed source. The method of assessing the results of neutron flux calculation is described. (K.I.)

  12. Strain Induced Adatom Correlations

    OpenAIRE

    Kappus, Wolfgang

    2012-01-01

    A Born-Green-Yvon type model for adatom density correlations is combined with a model for adatom interactions mediated by the strain in elastic anisotropic substrates. The resulting nonlinear integral equation is solved numerically for coverages from zero to a limit given by stability constraints. W, Nb, Ta and Au surfaces are taken as examples to show the effects of different elastic anisotropy regions. Results of the calculation are shown by appropriate plots and discussed. A mapping to sup...

  13. Analytic matrix elements with shifted correlated Gaussians

    DEFF Research Database (Denmark)

    Fedorov, D. V.

    2017-01-01

    Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics.......Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics....

  14. Default probabilities and default correlations

    OpenAIRE

    Erlenmaier, Ulrich; Gersbach, Hans

    2001-01-01

    Starting from the Merton framework for firm defaults, we provide the analytics and robustness of the relationship between default correlations. We show that loans with higher default probabilities will not only have higher variances but also higher correlations between loans. As a consequence, portfolio standard deviation can increase substantially when loan default probabilities rise. This result has two important implications. First, relative prices of loans with different default probabili...

  15. Photoproduction data for heating calculations

    International Nuclear Information System (INIS)

    Van der Marck, Steven C.; Koning, Arjan J.; Rochman, Dimitri

    2008-01-01

    For irradiations in a materials test reactor, the prediction of the amount of gamma heating in the reactor is important. Only a good predictive calculation will lead to an irradiation in which the specified temperatures are reached. The photons produced by fission product decay are often missing in spectrum calculations for a reactor, but the contribution of the photons can be computed effectively using engineering correlations for the amount of fission product decay and the ensuing photon spectrum. The prompt photons are usually calculated by a spectrum code based on the underlying nuclear data libraries. For most of the important nuclides, the nuclear data libraries contain data for the photon productions rates. However, there are still many nuclides for which the photon production data are missing, and some of these nuclides contribute to gamma heating. In this paper it is estimated what the contributions to heating are from photon production on nuclides such as 236 U, 238 Pu, 135 I, 135 Xe, 147 Pm, 148 Pm, 148m Pm, and 149 Sm. Also, simple arguments are given to judge the effect from photon production on all other (lumped) fission products, and from 28 Al decay. For all these calculations the High Flux Reactor is used as an example. (authors)

  16. Electronics Environmental Benefits Calculator

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase,...

  17. Electrical installation calculations basic

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for basic electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practice. A step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3Fo

  18. Electrical installation calculations advanced

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for advanced electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practiceA step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3For apprentices and electrical installatio

  19. Radar Signature Calculation Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: The calculation, analysis, and visualization of the spatially extended radar signatures of complex objects such as ships in a sea multipath environment and...

  20. Waste Package Lifting Calculation

    International Nuclear Information System (INIS)

    H. Marr

    2000-01-01

    The objective of this calculation is to evaluate the structural response of the waste package during the horizontal and vertical lifting operations in order to support the waste package lifting feature design. The scope of this calculation includes the evaluation of the 21 PWR UCF (pressurized water reactor uncanistered fuel) waste package, naval waste package, 5 DHLW/DOE SNF (defense high-level waste/Department of Energy spent nuclear fuel)--short waste package, and 44 BWR (boiling water reactor) UCF waste package. Procedure AP-3.12Q, Revision 0, ICN 0, calculations, is used to develop and document this calculation

  1. Liquid 4He: Modified LOCV ground-state energy calculations

    International Nuclear Information System (INIS)

    Skjetne, B.; Ostgaard, E.

    1996-01-01

    The ground-state energetics of liquid 4 He is studied in a constrained variational approach, where the significance of neglecting terms beyond second order in the cluster expansion is estimated in a crude way. An adjustment to the conditions of healing on the two-body correlation function excludes from the global average field the effects of pairwise clustering to higher orders. To this end, open-quotes virtualclose quotes particles beyond nearest neighbors are included in the average correlation volume. Results within the scope of such modifications are consistent with GFMC and QDMC calculations, falling within the range -7.25 ± 0.05 K when recent interaction models are used

  2. Pair Correlation Function Integrals

    DEFF Research Database (Denmark)

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

    2011-01-01

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

  3. GENERIC QUALITY STANDARDS VS. SPECIFIC QUALITY STANDARDS: THE CASE OF HIGHER EDUCATION

    Directory of Open Access Journals (Sweden)

    Laila El Abbadi

    2011-06-01

    Full Text Available Quality as a new requirement for the field of higher education leads institutions to seek to satisfy generic or specific quality standards imposed directly or indirectly by its customers. The aim of this study is to compare between ISO9001, as a generic quality standard, and the Code of Practice of the Quality Assurance Agency for Higher Education (QAA, as a specific quality standard. A correlation matrix is drawn and correlation rates are calculated to show similarities and differences between them. This paper shows, first, that ISO9001 and QAA Code of Practice are compatible. Second, implementing a quality management system in accordance with ISO9001 requirements can constitute an adequate framework for the application of the QAA Code of Practice requirements. Third, to make the ISO9001 requirements closer to a specific quality standard in the field of higher education, it is recommended to complete these standards by specific requirements to the field of higher education.

  4. PWR core design calculations

    International Nuclear Information System (INIS)

    Trkov, A.; Ravnik, M.; Zeleznik, N.

    1992-01-01

    Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [sl

  5. Uneconomical top calculation method

    International Nuclear Information System (INIS)

    De Noord, M.; Vanm Sambeek, E.J.W.

    2003-08-01

    The methodology used to calculate the financial gap of renewable electricity sources and technologies is described. This methodology is used for calculating the production subsidy levels (MEP subsidies) for new renewable electricity projects in 2004 and 2005 in the Netherlands [nl

  6. Ensuring the validity of calculated subcritical limits

    International Nuclear Information System (INIS)

    Clark, H.K.

    1977-01-01

    The care taken at the Savannah River Laboratory and Plant to ensure the validity of calculated subcritical limits is described. Close attention is given to ANSI N16.1-1975, ''Validation of Calculational Methods for Nuclear Criticality Safety.'' The computer codes used for criticality safety computations, which are listed and are briefly described, have been placed in the SRL JOSHUA system to facilitate calculation and to reduce input errors. A driver module, KOKO, simplifies and standardizes input and links the codes together in various ways. For any criticality safety evaluation, correlations of the calculational methods are made with experiment to establish bias. Occasionally subcritical experiments are performed expressly to provide benchmarks. Calculated subcritical limits contain an adequate but not excessive margin to allow for uncertainty in the bias. The final step in any criticality safety evaluation is the writing of a report describing the calculations and justifying the margin

  7. Wilson's theory of critical phenomena. Higher order corrections to critical exponents

    International Nuclear Information System (INIS)

    Zinn-Justin, J.

    1973-01-01

    The Wilson's theory of critical phenomena is presented, in the context of renormalized field theory in d dimension and of the Callan-Symanzik equations. This theory allows in particular to compute critical exponents that govern the behavior of some correlation functions near the critical temperature, as power series in epsilon=4-d, using the standard perturbation theory. Owing to the large value of the expansion parameter epsilon, whose physical value is one, it is very important to perform higher order calculations [fr

  8. Globalisation and Higher Education

    NARCIS (Netherlands)

    Marginson, Simon; van der Wende, Marijk

    2007-01-01

    Economic and cultural globalisation has ushered in a new era in higher education. Higher education was always more internationally open than most sectors because of its immersion in knowledge, which never showed much respect for juridical boundaries. In global knowledge economies, higher education

  9. Dose calculation for electrons

    International Nuclear Information System (INIS)

    Hirayama, Hideo

    1995-01-01

    The joint working group of ICRP/ICRU is advancing the works of reviewing the ICRP publication 51 by investigating the data related to radiation protection. In order to introduce the 1990 recommendation, it has been demanded to carry out calculation for neutrons, photons and electrons. As for electrons, EURADOS WG4 (Numerical Dosimetry) rearranged the data to be calculated at the meeting held in PTB Braunschweig in June, 1992, and the question and request were presented by Dr. J.L. Chartier, the responsible person, to the researchers who are likely to undertake electron transport Monte Carlo calculation. The author also has carried out the requested calculation as it was the good chance to do the mutual comparison among various computation codes regarding electron transport calculation. The content that the WG requested to calculate was the absorbed dose at depth d mm when parallel electron beam enters at angle α into flat plate phantoms of PMMA, water and ICRU4-element tissue, which were placed in vacuum. The calculation was carried out by the versatile electron-photon shower computation Monte Carlo code, EGS4. As the results, depth dose curves and the dependence of absorbed dose on electron energy, incident angle and material are reported. The subjects to be investigated are pointed out. (K.I.)

  10. A web site for calculating the degree of chirality.

    Science.gov (United States)

    Zayit, Amir; Pinsky, Mark; Elgavi, Hadassah; Dryzun, Chaim; Avnir, David

    2011-01-01

    The web site, http://www.csm.huji.ac.il/, uses the Continuous Chirality Measure to evaluate quantitatively the degree of chirality of a molecule, a structure, a fragment. The value of this measure ranges from zero, the molecule is achiral, to higher values (the upper limit is 100); the higher the chirality value, the more chiral the molecule is. The measure is based on the distance between the chiral molecule and the nearest structure that is achiral. Questions such as the following can be addressed: by how much is one molecule more chiral than the other? how does chirality change along conformational motions? is there a correlation between chirality and enantioselectivity in a series of molecules? Both elementary and advanced features are offered. Related calculation options are the symmetry measures and shape measures. Copyright © 2009 Wiley-Liss, Inc.

  11. Large scale GW calculations

    International Nuclear Information System (INIS)

    Govoni, Marco; Argonne National Lab., Argonne, IL; Galli, Giulia; Argonne National Lab., Argonne, IL

    2015-01-01

    We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration and do not require the explicit evaluation of virtual electronic states nor the inversion of dielectric matrices. We also present a parallel implementation of the algorithm, which takes advantage of separable expressions of both the single particle Green's function and the screened Coulomb interaction. The method can be used starting from density functional theory calculations performed with semilocal or hybrid functionals. The newly developed technique was applied to GW calculations of systems of unprecedented size, including water/semiconductor interfaces with thousands of electrons

  12. Radioactive cloud dose calculations

    International Nuclear Information System (INIS)

    Healy, J.W.

    1984-01-01

    Radiological dosage principles, as well as methods for calculating external and internal dose rates, following dispersion and deposition of radioactive materials in the atmosphere are described. Emphasis has been placed on analytical solutions that are appropriate for hand calculations. In addition, the methods for calculating dose rates from ingestion are discussed. A brief description of several computer programs are included for information on radionuclides. There has been no attempt to be comprehensive, and only a sampling of programs has been selected to illustrate the variety available

  13. Coil protection calculator for TFTR

    International Nuclear Information System (INIS)

    Marsala, R.J.; Lawson, J.E.; Persing, R.G.; Senko, T.R.; Woolley, R.D.

    1989-01-01

    A new coil protection system (CPS) is being developed to replace the existing TFTR magnetic coil fault detector. The existing fault detector sacrifices TFTR operating capability for simplicity. The new CPS, when installed in October of 1988, will permit operation up to the actual coil stress limits parameters in real-time. The computation will be done in a microprocessor based Coil Protection Calculator (CPC) currently under construction at PPL. THe new CPC will allow TFTR to operate with higher plasma currents and will permit the optimization of pulse repetition rates. The CPC will provide real-time estimates of critical coil and bus temperatures and stresses based on real-time redundant measurements of coil currents, coil cooling water inlet temperature, and plasma current. The critical parameter calculations are compared to prespecified limits. If these limits are reached or exceeded, protection action will be initiated to a hard wired control system (HCS), which will shut down the power supplies. The CPC consists of a redundant VME based microprocessor system which will sample all input data and compute all stress quantities every ten milliseconds. Thermal calculations will be approximated every 10ms with an exact solution occurring every second. The CPC features continuous cross-checking of redundant input signal, automatic detection of internal failure modes, monitoring and recording of calculated results, and a quick, functional verification of performance via an internal test system. (author)

  14. Methods for Melting Temperature Calculation

    Science.gov (United States)

    Hong, Qi-Jun

    the melting temperature is a design criterion. We present in detail two examples of refractory materials. First, we demonstrate how key material properties that provide guidance in the design of refractory materials can be accurately determined via ab initio thermodynamic calculations in conjunction with experimental techniques based on synchrotron X-ray diffraction and thermal analysis under laser-heated aerodynamic levitation. The properties considered include melting point, heat of fusion, heat capacity, thermal expansion coefficients, thermal stability, and sublattice disordering, as illustrated in a motivating example of lanthanum zirconate (La2Zr2O7). The close agreement with experiment in the known but structurally complex compound La2Zr 2O7 provides good indication that the computation methods described can be used within a computational screening framework to identify novel refractory materials. Second, we report an extensive investigation into the melting temperatures of the Hf-C and Hf-Ta-C systems using ab initio calculations. With melting points above 4000 K, hafnium carbide (HfC) and tantalum carbide (TaC) are among the most refractory binary compounds known to date. Their mixture, with a general formula TaxHf 1-xCy, is known to have a melting point of 4215 K at the composition Ta4HfC 5, which has long been considered as the highest melting temperature for any solid. Very few measurements of melting point in tantalum and hafnium carbides have been documented, because of the obvious experimental difficulties at extreme temperatures. The investigation lets us identify three major chemical factors that contribute to the high melting temperatures. Based on these three factors, we propose and explore a new class of materials, which, according to our ab initio calculations, may possess even higher melting temperatures than Ta-Hf-C. This example also demonstrates the feasibility of materials screening and discovery via ab initio calculations for the

  15. Correlation spectrometer

    Science.gov (United States)

    Sinclair, Michael B [Albuquerque, NM; Pfeifer, Kent B [Los Lunas, NM; Flemming, Jeb H [Albuquerque, NM; Jones, Gary D [Tijeras, NM; Tigges, Chris P [Albuquerque, NM

    2010-04-13

    A correlation spectrometer can detect a large number of gaseous compounds, or chemical species, with a species-specific mask wheel. In this mode, the spectrometer is optimized for the direct measurement of individual target compounds. Additionally, the spectrometer can measure the transmission spectrum from a given sample of gas. In this mode, infrared light is passed through a gas sample and the infrared transmission signature of the gasses present is recorded and measured using Hadamard encoding techniques. The spectrometer can detect the transmission or emission spectra in any system where multiple species are present in a generally known volume.

  16. Handout on shielding calculation

    International Nuclear Information System (INIS)

    Heilbron Filho, P.F.L.

    1991-01-01

    In order to avoid the difficulties of the radioprotection supervisors in the tasks related to shielding calculations, is presented in this paper the basic concepts of shielding theory. It also includes exercises and examples. (author)

  17. Unit Cost Compendium Calculations

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Unit Cost Compendium (UCC) Calculations raw data set was designed to provide for greater accuracy and consistency in the use of unit costs across the USEPA...

  18. PHYSICOCHEMICAL PROPERTY CALCULATIONS

    Science.gov (United States)

    Computer models have been developed to estimate a wide range of physical-chemical properties from molecular structure. The SPARC modeling system approaches calculations as site specific reactions (pKa, hydrolysis, hydration) and `whole molecule' properties (vapor pressure, boilin...

  19. Magnetic Field Grid Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Properties Calculator will computes the estimated values of Earth's magnetic field(declination, inclination, vertical component, northerly...

  20. Intercavitary implants dosage calculation

    International Nuclear Information System (INIS)

    Rehder, B.P.

    The use of spacial geometry peculiar to each treatment for the attainment of intercavitary and intersticial implants dosage calculation is presented. The study is made in patients with intercavitary implants by applying a modified Manchester technique [pt

  1. Casio Graphical Calculator Project.

    Science.gov (United States)

    Stott, Nick

    2001-01-01

    Shares experiences of a project aimed at developing and refining programs written on a Casio FX9750G graphing calculator. Describes in detail some programs used to develop mental strategies and problem solving skills. (MM)

  2. Small portable speed calculator

    Science.gov (United States)

    Burch, J. L.; Billions, J. C.

    1973-01-01

    Calculator is adapted stopwatch calibrated for fast accurate measurement of speeds. Single assembled unit is rugged, self-contained, and relatively inexpensive to manufacture. Potential market includes automobile-speed enforcement, railroads, and field-test facilities.

  3. Calculativeness and trust

    DEFF Research Database (Denmark)

    Frederiksen, Morten

    2014-01-01

    Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs...... to take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...

  4. Activities for Calculators.

    Science.gov (United States)

    Hiatt, Arthur A.

    1987-01-01

    Ten activities that give learners in grades 5-8 a chance to explore mathematics with calculators are provided. The activity cards involve such topics as odd addends, magic squares, strange projects, and conjecturing rules. (MNS)

  5. IRIS core criticality calculations

    International Nuclear Information System (INIS)

    Jecmenica, R.; Trontl, K.; Pevec, D.; Grgic, D.

    2003-01-01

    Three-dimensional Monte Carlo computer code KENO-VI of CSAS26 sequence of SCALE-4.4 code system was applied for pin-by-pin calculations of the effective multiplication factor for the first cycle IRIS reactor core. The effective multiplication factors obtained by the above mentioned Monte Carlo calculations using 27-group ENDF/B-IV library and 238-group ENDF/B-V library have been compared with the effective multiplication factors achieved by HELIOS/NESTLE, CASMO/SIMULATE, and modified CORD-2 nodal calculations. The results of Monte Carlo calculations are found to be in good agreement with the results obtained by the nodal codes. The discrepancies in effective multiplication factor are typically within 1%. (author)

  6. Cost Efficiency in Public Higher Education.

    Science.gov (United States)

    Robst, John

    This study used the frontier cost function framework to examine cost efficiency in public higher education. The frontier cost function estimates the minimum predicted cost for producing a given amount of output. Data from the annual Almanac issues of the "Chronicle of Higher Education" were used to calculate state level enrollments at two-year and…

  7. Current interruption transients calculation

    CERN Document Server

    Peelo, David F

    2014-01-01

    Provides an original, detailed and practical description of current interruption transients, origins, and the circuits involved, and how they can be calculated Current Interruption Transients Calculationis a comprehensive resource for the understanding, calculation and analysis of the transient recovery voltages (TRVs) and related re-ignition or re-striking transients associated with fault current interruption and the switching of inductive and capacitive load currents in circuits. This book provides an original, detailed and practical description of current interruption transients, origins,

  8. Source and replica calculations

    International Nuclear Information System (INIS)

    Whalen, P.P.

    1994-01-01

    The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem

  9. Shielding calculations using FLUKA

    International Nuclear Information System (INIS)

    Yamaguchi, Chiri; Tesch, K.; Dinter, H.

    1988-06-01

    The dose equivalent on the surface of concrete shielding has been calculated using the Monte Carlo code FLUKA86 for incident proton energies from 10 to 800 GeV. The results have been compared with some simple equations. The value of the angular dependent parameter in Moyer's equation has been calculated from the locations where the values of the maximum dose equivalent occur. (author)

  10. Significance and properties of internucleon correlation functions

    OpenAIRE

    Suzuki, Y.; Horiuchi, W.

    2008-01-01

    We show that a nuclear Hamiltonian and a set of internucleon correlation functions is in a one-to-one correspondence. The correlation functions for $s$-shell nuclei interacting via the two-nucleon interaction of AV8$^\\prime$ type are calculated to exhibit the importance of tensor correlations as well as short-range central correlation. The asymptotic behavior of the correlation functions is also discussed.

  11. The Nudo, Rollo, Melon codes and nodal correlations

    International Nuclear Information System (INIS)

    Perlado, J.M.; Aragones, J.M.; Minguez, E.; Pena, J.

    1975-01-01

    Analysis of nodal calculation and checking results by the reference reactor experimental data. Nudo code description, adapting experimental data to nodal calculations. Rollo, Melon codes as improvement in the cycle life calculations of albedos, mixing parameters and nodal correlations. (author)

  12. Uncertainty calculations made easier

    International Nuclear Information System (INIS)

    Hogenbirk, A.

    1994-07-01

    The results are presented of a neutron cross section sensitivity/uncertainty analysis performed in a complicated 2D model of the NET shielding blanket design inside the ITER torus design, surrounded by the cryostat/biological shield as planned for ITER. The calculations were performed with a code system developed at ECN Petten, with which sensitivity/uncertainty calculations become relatively simple. In order to check the deterministic neutron transport calculations (performed with DORT), calculations were also performed with the Monte Carlo code MCNP. Care was taken to model the 2.0 cm wide gaps between two blanket segments, as the neutron flux behind the vacuum vessel is largely determined by neutrons streaming through these gaps. The resulting neutron flux spectra are in excellent agreement up to the end of the cryostat. It is noted, that at this position the attenuation of the neutron flux is about 1 l orders of magnitude. The uncertainty in the energy integrated flux at the beginning of the vacuum vessel and at the beginning of the cryostat was determined in the calculations. The uncertainty appears to be strongly dependent on the exact geometry: if the gaps are filled with stainless steel, the neutron spectrum changes strongly, which results in an uncertainty of 70% in the energy integrated flux at the beginning of the cryostat in the no-gap-geometry, compared to an uncertainty of only 5% in the gap-geometry. Therefore, it is essential to take into account the exact geometry in sensitivity/uncertainty calculations. Furthermore, this study shows that an improvement of the covariance data is urgently needed in order to obtain reliable estimates of the uncertainties in response parameters in neutron transport calculations. (orig./GL)

  13. 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

  14. Higher prices, higher quality? Evidence from German nursing homes.

    Science.gov (United States)

    Herr, Annika; Hottenrott, Hanna

    2016-02-01

    This study investigates the relationship between prices and quality of 7400 German nursing homes. We use a cross section of public quality reports for all German nursing homes, which had been evaluated between 2010 and 2013 by external institutions. Our analysis is based on multivariate regressions in a two stage least squares framework, where we instrument prices to explain their effect on quality controlling for income, nursing home density, demographics, labour market characteristics, and infrastructure at the regional level. Descriptive analysis shows that prices and quality do not only vary across nursing homes, but also across counties and federal states and that quality and prices correlate positively. Second, the econometric analysis, which accounts for the endogenous relation between negotiated price and reported quality, shows that quality indeed positively depends on prices. In addition, more places in nursing homes per people in need are correlated with both lower prices and higher quality. Finally, unobserved factors at the federal state level capture some of the variation of reported quality across nursing homes. Our results suggest that higher prices increase quality. Furthermore, since reported quality and prices vary substantially across federal states, we conclude that the quality and prices of long-term care facilities may well be compared within federal states but not across. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  15. Online plasma calculator

    Science.gov (United States)

    Wisniewski, H.; Gourdain, P.-A.

    2017-10-01

    APOLLO is an online, Linux based plasma calculator. Users can input variables that correspond to their specific plasma, such as ion and electron densities, temperatures, and external magnetic fields. The system is based on a webserver where a FastCGI protocol computes key plasma parameters including frequencies, lengths, velocities, and dimensionless numbers. FastCGI was chosen to overcome security problems caused by JAVA-based plugins. The FastCGI also speeds up calculations over PHP based systems. APOLLO is built upon the WT library, which turns any web browser into a versatile, fast graphic user interface. All values with units are expressed in SI units except temperature, which is in electron-volts. SI units were chosen over cgs units because of the gradual shift to using SI units within the plasma community. APOLLO is intended to be a fast calculator that also provides the user with the proper equations used to calculate the plasma parameters. This system is intended to be used by undergraduates taking plasma courses as well as graduate students and researchers who need a quick reference calculation.

  16. Correlated uncertainties in integral data

    International Nuclear Information System (INIS)

    McCracken, A.K.

    1978-01-01

    The use of correlated uncertainties in calculational data is shown in cases investigated to lead to a reduction in the uncertainty of calculated quantities of importance to reactor design. It is stressed however that such reductions are likely to be important in a minority of cases of practical interest. The effect of uncertainties in detector cross-sections is considered and is seen to be, in some cases, of equal importance to that in the data used in calculations. Numerical investigations have been limited by the sparse information available on data correlations; some comparisons made of these data reveal quite large inconsistencies for both detector cross-sections and cross-section of interest for reactor calculations

  17. Higher Education and Inequality

    Science.gov (United States)

    Brown, Roger

    2018-01-01

    After climate change, rising economic inequality is the greatest challenge facing the advanced Western societies. Higher education has traditionally been seen as a means to greater equality through its role in promoting social mobility. But with increased marketisation higher education now not only reflects the forces making for greater inequality…

  18. Higher Education in California

    Science.gov (United States)

    Public Policy Institute of California, 2016

    2016-01-01

    Higher education enhances Californians' lives and contributes to the state's economic growth. But population and education trends suggest that California is facing a large shortfall of college graduates. Addressing this short­fall will require strong gains for groups that have been historically under­represented in higher education. Substantial…

  19. Reimagining Christian Higher Education

    Science.gov (United States)

    Hulme, E. Eileen; Groom, David E., Jr.; Heltzel, Joseph M.

    2016-01-01

    The challenges facing higher education continue to mount. The shifting of the U.S. ethnic and racial demographics, the proliferation of advanced digital technologies and data, and the move from traditional degrees to continuous learning platforms have created an unstable environment to which Christian higher education must adapt in order to remain…

  20. Happiness in Higher Education

    Science.gov (United States)

    Elwick, Alex; Cannizzaro, Sara

    2017-01-01

    This paper investigates the higher education literature surrounding happiness and related notions: satisfaction, despair, flourishing and well-being. It finds that there is a real dearth of literature relating to profound happiness in higher education: much of the literature using the terms happiness and satisfaction interchangeably as if one were…

  1. Gender and Higher Education

    Science.gov (United States)

    Bank, Barbara J., Ed.

    2011-01-01

    This comprehensive, encyclopedic review explores gender and its impact on American higher education across historical and cultural contexts. Challenging recent claims that gender inequities in U.S. higher education no longer exist, the contributors--leading experts in the field--reveal the many ways in which gender is embedded in the educational…

  2. Quantum correlator outside a Schwarzschild black hole

    Directory of Open Access Journals (Sweden)

    Claudia Buss

    2018-01-01

    Full Text Available We calculate the quantum correlator in Schwarzschild black hole space–time. We perform the calculation for a scalar field in three different quantum states: Boulware, Unruh and Hartle–Hawking, and for points along a timelike circular geodesic. The results show that the correlator presents a global fourfold singularity structure, which is state-independent. Our results also show the different correlations in the three different quantum states arising in-between the singularities.

  3. Quality of Higher Education

    DEFF Research Database (Denmark)

    Zou, Yihuan

    is about constructing a more inclusive understanding of quality in higher education through combining the macro, meso and micro levels, i.e. from the perspectives of national policy, higher education institutions as organizations in society, individual teaching staff and students. It covers both......Quality in higher education was not invented in recent decades – universities have always possessed mechanisms for assuring the quality of their work. The rising concern over quality is closely related to the changes in higher education and its social context. Among others, the most conspicuous...... changes are the massive expansion, diversification and increased cost in higher education, and new mechanisms of accountability initiated by the state. With these changes the traditional internally enacted academic quality-keeping has been given an important external dimension – quality assurance, which...

  4. Paths correlation matrix.

    Science.gov (United States)

    Qian, Weixian; Zhou, Xiaojun; Lu, Yingcheng; Xu, Jiang

    2015-09-15

    Both the Jones and Mueller matrices encounter difficulties when physically modeling mixed materials or rough surfaces due to the complexity of light-matter interactions. To address these issues, we derived a matrix called the paths correlation matrix (PCM), which is a probabilistic mixture of Jones matrices of every light propagation path. Because PCM is related to actual light propagation paths, it is well suited for physical modeling. Experiments were performed, and the reflection PCM of a mixture of polypropylene and graphite was measured. The PCM of the mixed sample was accurately decomposed into pure polypropylene's single reflection, pure graphite's single reflection, and depolarization caused by multiple reflections, which is consistent with the theoretical derivation. Reflection parameters of rough surface can be calculated from PCM decomposition, and the results fit well with the theoretical calculations provided by the Fresnel equations. These theoretical and experimental analyses verify that PCM is an efficient way to physically model light-matter interactions.

  5. Daylight calculations in practice

    DEFF Research Database (Denmark)

    Iversen, Anne; Roy, Nicolas; Hvass, Mette

    The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Experience has shown that results for the same room, obtained from two daylight simulation...... programs can give different results. This can be due to restrictions in the program itself and/or be due to the skills of the persons setting up the models. This is crucial as daylight calculations are used to document that the demands and recommendations to daylight levels outlined by building authorities....... The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Furthermore the aim was to provide knowledge of how to build up the 3D models that were...

  6. Calculating Quenching Weights

    CERN Document Server

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

    2003-01-01

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

  7. Strain induced adatom correlations

    Science.gov (United States)

    Kappus, Wolfgang

    2012-12-01

    A Born-Green-Yvon type model for adatom density correlations is combined with a model for adatom interactions mediated by the strain in elastic anisotropic substrates. The resulting nonlinear integral equation is solved numerically for coverages from zero to a limit given by stability constraints. W, Nb, Ta and Au surfaces are taken as examples to show the effects of different elastic anisotropy regions. Results of the calculation are shown by appropriate plots and discussed. A mapping to superstructures is tried. Corresponding adatom configurations from Monte Carlo simulations are shown.

  8. Pairing correlations around scission

    International Nuclear Information System (INIS)

    Krappe, H.J.; Fadeev, S.

    2001-01-01

    To describe pairing correlations in a fissioning system one commonly projects the BCS wave function separately onto good particle numbers in each fragment in the exit channel, but only onto the total number of particles in the parent system. We propose to interpolate between these limiting situations by the generator-coordinate method with the particle-number difference between the nascent fragments as the generator coordinate. Model calculations are presented for the Hill-Wheeler-box potential with a δ-function diaphragm to mimic scission

  9. Three recent TDHF calculations

    International Nuclear Information System (INIS)

    Weiss, M.S.

    1981-05-01

    Three applications of TDHF are discussed. First, vibrational spectra of a post grazing collision 40 Ca nucleus is examined and found to contain many high energy components, qualitatively consistent with recent Orsay experiments. Second, the fusion cross section in energy and angular momentum are calculated for 16 O + 24 Mg to exhibit the parameters of the low l window for this system. A sensitivity of the fusion cross section to the effective two body potential is discussed. Last, a preliminary analysis of 86 Kr + 139 La at E/sub lab/ = 505 MeV calculated in the frozen approximation is displayed, compared to experiment and discussed

  10. Fission neutron multiplicity calculations

    International Nuclear Information System (INIS)

    Maerten, H.; Ruben, A.; Seeliger, D.

    1991-01-01

    A model for calculating neutron multiplicities in nuclear fission is presented. It is based on the solution of the energy partition problem as function of mass asymmetry within a phenomenological approach including temperature-dependent microscopic energies. Nuclear structure effects on fragment de-excitation, which influence neutron multiplicities, are discussed. Temperature effects on microscopic energy play an important role in induced fission reactions. Calculated results are presented for various fission reactions induced by neutrons. Data cover the incident energy range 0-20 MeV, i.e. multiple chance fission is considered. (author). 28 refs, 13 figs

  11. Lattice cell burnup calculation

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.

    1977-01-01

    Accurate burnup prediction is a key item for design and operation of a power reactor. It should supply information on isotopic changes at each point in the reactor core and the consequences of these changes on the reactivity, power distribution, kinetic characters, control rod patterns, fuel cycles and operating strategy. A basic stage in the burnup prediction is the lattice cell burnup calculation. This series of lectures attempts to give a review of the general principles and calculational methods developed and applied in this area of burnup physics

  12. PWR core design calculations

    Energy Technology Data Exchange (ETDEWEB)

    Trkov, A; Ravnik, M; Zeleznik, N [Inst. Jozef Stefan, Ljubljana (Slovenia)

    1992-07-01

    Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [Slovenian] Opisali smo programski paket CORD-2, ki se uporablja pri projektnih izracunih sredice pri upravljanju tlacnovodnega reaktorja. Prikazana je uporaba paketa in racunskih postopkov za tipicne probleme, ki nastopajo pri projektiranju sredice. Primerjava glavnih rezultatov z eksperimentalnimi vrednostmi je predstavljena kot del preveritvenega procesa. (author)

  13. On calculation of lattice parameters of refractory metal solid solutions

    International Nuclear Information System (INIS)

    Barsukov, A.D.; Zhuravleva, A.D.; Pedos, A.A.

    1995-01-01

    Technique for calculating lattice periods of solid solutions is suggested. Experimental and calculation values of lattice periods of some solid solutions on the basis of refractory metals (V-Cr, Nb-Zr, Mo-W and other) are presented. Calculation error was correlated with experimental one. 7 refs.; 2 tabs

  14. Multiparty correlation measure based on the cumulant

    International Nuclear Information System (INIS)

    Zhou, D. L.; Zeng, B.; Xu, Z.; You, L.

    2006-01-01

    We propose a genuine multiparty correlation measure for a multiparty quantum system as the trace norm of the cumulant of the state. The legitimacy of our multiparty correlation measure is explicitly demonstrated by proving it satisfies the five basic conditions required for a correlation measure. As an application we construct an efficient algorithm for the calculation of our measures for all stabilizer states

  15. Correlation Measurements on Small Mobile Devices

    DEFF Research Database (Denmark)

    Yanakiev, Boyan Radkov; Nielsen, Jesper Ødum; Christensen, Morten

    2012-01-01

    Here, analysis of the antenna correlation at the design stage is done, with focus on measurement techniques. Various theoretical definitions of correlations are used with the corresponding measured data required. The problems related to the coaxial measurement cables, when calculating correlation...

  16. 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)

  17. Higher English for CFE

    CERN Document Server

    Bridges, Ann; Mitchell, John

    2015-01-01

    A brand new edition of the former Higher English: Close Reading , completely revised and updated for the new Higher element (Reading for Understanding, Analysis and Evaluation) - worth 30% of marks in the final exam!. We are working with SQA to secure endorsement for this title. Written by two highly experienced authors this book shows you how to practice for the Reading for Understanding, Analysis and Evaluation section of the new Higher English exam. This book introduces the terms and concepts that lie behind success and offers guidance on the interpretation of questions and targeting answer

  18. Calculating Student Grades.

    Science.gov (United States)

    Allswang, John M.

    1986-01-01

    This article provides two short microcomputer gradebook programs. The programs, written in BASIC for the IBM-PC and Apple II, provide statistical information about class performance and calculate grades either on a normal distribution or based on teacher-defined break points. (JDH)

  19. Cardiovascular risk calculation

    African Journals Online (AJOL)

    James A. Ker

    2014-08-20

    Aug 20, 2014 ... smoking and elevated blood sugar levels (diabetes mellitus). These risk ... These are risk charts, e.g. FRS, a non-laboratory-based risk calculation, and ... for hard cardiovascular end-points, such as coronary death, myocardial ...

  20. Cooling tower calculations

    International Nuclear Information System (INIS)

    Simonkova, J.

    1988-01-01

    The problems are summed up of the dynamic calculation of cooling towers with forced and natural air draft. The quantities and relations are given characterizing the simultaneous exchange of momentum, heat and mass in evaporative water cooling by atmospheric air in the packings of cooling towers. The method of solution is clarified in the calculation of evaporation criteria and thermal characteristics of countercurrent and cross current cooling systems. The procedure is demonstrated of the calculation of cooling towers, and correction curves and the effect assessed of the operating mode at constant air number or constant outlet air volume flow on their course in ventilator cooling towers. In cooling towers with the natural air draft the flow unevenness is assessed of water and air relative to its effect on the resulting cooling efficiency of the towers. The calculation is demonstrated of thermal and resistance response curves and cooling curves of hydraulically unevenly loaded towers owing to the water flow rate parameter graded radially by 20% along the cross-section of the packing. Flow rate unevenness of air due to wind impact on the outlet air flow from the tower significantly affects the temperatures of cooled water in natural air draft cooling towers of a design with lower demands on aerodynamics, as early as at wind velocity of 2 m.s -1 as was demonstrated on a concrete example. (author). 11 figs., 10 refs

  1. Hypervelocity impact cratering calculations

    Science.gov (United States)

    Maxwell, D. E.; Moises, H.

    1971-01-01

    A summary is presented of prediction calculations on the mechanisms involved in hypervelocity impact cratering and response of earth media. Considered are: (1) a one-gram lithium-magnesium alloys impacting basalt normally at 6.4 km/sec, and (2) a large terrestrial impact corresponding to that of Sierra Madera.

  2. Languages for structural calculations

    International Nuclear Information System (INIS)

    Thomas, J.B.; Chambon, M.R.

    1988-01-01

    The differences between human and computing languages are recalled. It is argued that they are to some extent structured in antagonistic ways. Languages in structural calculation, in the past, present, and future, are considered. The contribution of artificial intelligence is stressed [fr

  3. Monte Carlo alpha calculation

    Energy Technology Data Exchange (ETDEWEB)

    Brockway, D.; Soran, P.; Whalen, P.

    1985-01-01

    A Monte Carlo algorithm to efficiently calculate static alpha eigenvalues, N = ne/sup ..cap alpha..t/, for supercritical systems has been developed and tested. A direct Monte Carlo approach to calculating a static alpha is to simply follow the buildup in time of neutrons in a supercritical system and evaluate the logarithmic derivative of the neutron population with respect to time. This procedure is expensive, and the solution is very noisy and almost useless for a system near critical. The modified approach is to convert the time-dependent problem to a static ..cap alpha../sup -/eigenvalue problem and regress ..cap alpha.. on solutions of a/sup -/ k/sup -/eigenvalue problem. In practice, this procedure is much more efficient than the direct calculation, and produces much more accurate results. Because the Monte Carlo codes are intrinsically three-dimensional and use elaborate continuous-energy cross sections, this technique is now used as a standard for evaluating other calculational techniques in odd geometries or with group cross sections.

  4. Reactor dynamics calculations

    International Nuclear Information System (INIS)

    Devooght, J.; Lefvert, T.; Stankiewiez, J.

    1981-01-01

    This chapter deals with the work done in reactor dynamics within the Coordinated Research Program on Transport Theory and Advanced Reactor Calculations by three groups in Belgium, Poland, Sweden and Italy. Discretization methods in diffusion theory, collision probability methods in time-dependent neutron transport and singular perturbation method are represented in this paper

  5. Equilibrium fission model calculations

    International Nuclear Information System (INIS)

    Beckerman, M.; Blann, M.

    1976-01-01

    In order to aid in understanding the systematics of heavy ion fission and fission-like reactions in terms of the target-projectile system, bombarding energy and angular momentum, fission widths are calculated using an angular momentum dependent extension of the Bohr-Wheeler theory and particle emission widths using angular momentum coupling

  6. Planning for Higher Education.

    Science.gov (United States)

    Lindstrom, Caj-Gunnar

    1984-01-01

    Decision processes for strategic planning for higher education institutions are outlined using these parameters: institutional goals and power structure, organizational climate, leadership attitudes, specific problem type, and problem-solving conditions and alternatives. (MSE)

  7. Advert for higher education

    OpenAIRE

    N.V. Provozin; А.S. Teletov

    2011-01-01

    The article discusses the features advertising higher education institution. The analysis results of marketing research students for their choice of institutions and further study. Principles of the advertising campaign on three levels: the university, the faculty, the separate department.

  8. Calculation of resonance integral for fuel cluster

    International Nuclear Information System (INIS)

    Remsak, S.

    1969-01-01

    The procedure for calculating the shielding correction, formulated in the previous paper [6], was broadened and applied for a cluster of cylindrical rods. The sam analytical method as in the previous paper was applied. A combination of Gauss method with the method of Almgren and Porn used for solving the same type of integral was used to calculate the geometry functions. CLUSTER code was written for ZUSE-Z-23 computer to calculate the shielding corrections for pairs of fuel rods in the cluster. Computing time for one pair of fuel rods depends on the number of closely placed rod, and for two closely placed rods it is about 3 hours. Calculations were done for clusters containing 7 and 19 UO 2 rods. results show that calculated values of resonance integrals are somewhat higher than the values obtained by Helstrand empirical formula. Taking into account the results for two rods from the previous paper it can be noted that the calculated and empirical values for clusters with 2 and 7 rods are in agreement since the deviations do not exceed the limits of experimental error (±2%). In case of larger cluster with 19 rods deviations are higher than the experimental error. Most probably the calculated values exceed the experimental ones result from the fact that in this paper the shielding correction is calculated only in the region up to 1 keV [sr

  9. On higher derivative gravity

    International Nuclear Information System (INIS)

    Accioly, A.J.

    1987-01-01

    A possible classical route conducting towards a general relativity theory with higher-derivatives starting, in a sense, from first principles, is analysed. A completely causal vacuum solution with the symmetries of the Goedel universe is obtained in the framework of this higher-derivative gravity. This very peculiar and rare result is the first known vcuum solution of the fourth-order gravity theory that is not a solution of the corresponding Einstein's equations.(Author) [pt

  10. Higher Spins & Strings

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    The conjectured relation between higher spin theories on anti de-Sitter (AdS) spaces and weakly coupled conformal field theories is reviewed. I shall then outline the evidence in favour of a concrete duality of this kind, relating a specific higher spin theory on AdS3 to a family of 2d minimal model CFTs. Finally, I shall explain how this relation fits into the framework of the familiar stringy AdS/CFT correspondence.

  11. Particle-gamma and particle-particle correlations in nuclear reactions using Monte Carlo Hauser-Feshback model

    Energy Technology Data Exchange (ETDEWEB)

    Kawano, Toshihiko [Los Alamos National Laboratory; Talou, Patrick [Los Alamos National Laboratory; Watanabe, Takehito [Los Alamos National Laboratory; Chadwick, Mark [Los Alamos National Laboratory

    2010-01-01

    Monte Carlo simulations for particle and {gamma}-ray emissions from an excited nucleus based on the Hauser-Feshbach statistical theory are performed to obtain correlated information between emitted particles and {gamma}-rays. We calculate neutron induced reactions on {sup 51}V to demonstrate unique advantages of the Monte Carlo method. which are the correlated {gamma}-rays in the neutron radiative capture reaction, the neutron and {gamma}-ray correlation, and the particle-particle correlations at higher energies. It is shown that properties in nuclear reactions that are difficult to study with a deterministic method can be obtained with the Monte Carlo simulations.

  12. Correlations in charged bosons systems

    International Nuclear Information System (INIS)

    Almeida Caparica, A. de.

    1985-02-01

    The two and three-dimensional charge Bose gas have been studied. In the bidimensional case two different types of interaction were considered: l/r and l n(r). The method of self-consistent-field was applied to these systems, which takes into account the short range correlations between the bosons through a local-field correction. By using self-consistent numerical calculations, the structure factor S(k → ) was determined. The pair-correlation function, the ground-state energy, the pressure of the gas and the spectrum of elementary excitations were obtained from S (k → ). The screening density induced by a fixed charged impurity was calculated. In the high-density limit our calculations reproduce the results given by Bogoliubov's perturbation theory. In the intermediate-density region, corresponding to the strongly coupled systems, the results are in very good agreement with calculations based on HNC approximation as well as Monte Carlo method. The results are compared in several situations with RPA results showing that the self-consistent method is much more accurate. The two-dimensional systems showed to be more correlated than the three-dimensional systems showed to be more correlated than the three-dimensional one; the gas with interaction l/r is also more correlated than the logarithmic one at high densities, but it begins to be less correlated than this one in the low-density region. The thermodynamic functions of the two and three-dimensional systems at finite temperatures near absolute zero are calculated based upon the gas excitation spectra at zero temperature. (author)

  13. Inter-rater reliability of h-index scores calculated by Web of Science and Scopus for clinical epidemiology scientists.

    Science.gov (United States)

    Walker, Benjamin; Alavifard, Sepand; Roberts, Surain; Lanes, Andrea; Ramsay, Tim; Boet, Sylvain

    2016-06-01

    We investigated the inter-rater reliability of Web of Science (WoS) and Scopus when calculating the h-index of 25 senior scientists in the Clinical Epidemiology Program of the Ottawa Hospital Research Institute. Bibliometric information and the h-indices for the subjects were computed by four raters using the automatic calculators in WoS and Scopus. Correlation and agreement between ratings was assessed using Spearman's correlation coefficient and a Bland-Altman plot, respectively. Data could not be gathered from Google Scholar due to feasibility constraints. The Spearman's rank correlation between the h-index of scientists calculated with WoS was 0.81 (95% CI 0.72-0.92) and with Scopus was 0.95 (95% CI 0.92-0.99). The Bland-Altman plot showed no significant rater bias in WoS and Scopus; however, the agreement between ratings is higher in Scopus compared to WoS. Our results showed a stronger relationship and increased agreement between raters when calculating the h-index of a scientist using Scopus compared to WoS. The higher inter-rater reliability and simple user interface used in Scopus may render it the more effective database when calculating the h-index of senior scientists in epidemiology. © 2016 Health Libraries Group.

  14. Two pion correlation from SPACER

    International Nuclear Information System (INIS)

    Csoergoe, T.; Zimanyi, J.; Pratt, S.

    1989-12-01

    The correlation function for neutral and negative pions produced in ultrarelativistic heavy ion collisions was calculated without free parameters based on a space-time version of the LUND model, called SPACER: Simulation of Phase space distribution of Atomic nuclear Collisions in Energetic Reactions. This method includes the effect of Bose correlations for the emitted pion pair. Effects arising from correlations between space-time and momentum space distributions are investigated. The results are compared to the data of two different experiments. The role and interpretation of the chaocity parameter are discussed. (D.G.) 14 refs.; 4 figs

  15. Reliability measures in item response theory: manifest versus latent correlation functions.

    Science.gov (United States)

    Milanzi, Elasma; Molenberghs, Geert; Alonso, Ariel; Verbeke, Geert; De Boeck, Paul

    2015-02-01

    For item response theory (IRT) models, which belong to the class of generalized linear or non-linear mixed models, reliability at the scale of observed scores (i.e., manifest correlation) is more difficult to calculate than latent correlation based reliability, but usually of greater scientific interest. This is not least because it cannot be calculated explicitly when the logit link is used in conjunction with normal random effects. As such, approximations such as Fisher's information coefficient, Cronbach's α, or the latent correlation are calculated, allegedly because it is easy to do so. Cronbach's α has well-known and serious drawbacks, Fisher's information is not meaningful under certain circumstances, and there is an important but often overlooked difference between latent and manifest correlations. Here, manifest correlation refers to correlation between observed scores, while latent correlation refers to correlation between scores at the latent (e.g., logit or probit) scale. Thus, using one in place of the other can lead to erroneous conclusions. Taylor series based reliability measures, which are based on manifest correlation functions, are derived and a careful comparison of reliability measures based on latent correlations, Fisher's information, and exact reliability is carried out. The latent correlations are virtually always considerably higher than their manifest counterparts, Fisher's information measure shows no coherent behaviour (it is even negative in some cases), while the newly introduced Taylor series based approximations reflect the exact reliability very closely. Comparisons among the various types of correlations, for various IRT models, are made using algebraic expressions, Monte Carlo simulations, and data analysis. Given the light computational burden and the performance of Taylor series based reliability measures, their use is recommended. © 2014 The British Psychological Society.

  16. Fuel Class Higher Alcohols

    KAUST Repository

    Sarathy, Mani

    2016-08-17

    This chapter focuses on the production and combustion of alcohol fuels with four or more carbon atoms, which we classify as higher alcohols. It assesses the feasibility of utilizing various C4-C8 alcohols as fuels for internal combustion engines. Utilizing higher-molecular-weight alcohols as fuels requires careful analysis of their fuel properties. ASTM standards provide fuel property requirements for spark-ignition (SI) and compression-ignition (CI) engines such as the stability, lubricity, viscosity, and cold filter plugging point (CFPP) properties of blends of higher alcohols. Important combustion properties that are studied include laminar and turbulent flame speeds, flame blowout/extinction limits, ignition delay under various mixing conditions, and gas-phase and particulate emissions. The chapter focuses on the combustion of higher alcohols in reciprocating SI and CI engines and discusses higher alcohol performance in SI and CI engines. Finally, the chapter identifies the sources, production pathways, and technologies currently being pursued for production of some fuels, including n-butanol, iso-butanol, and n-octanol.

  17. Course on hybrid calculation

    International Nuclear Information System (INIS)

    Weill, J.; Tellier; Bonnemay; Craigne; Chareton; Di Falco

    1969-02-01

    After a definition of hybrid calculation (combination of analogue and digital calculation) with a distinction between series and parallel hybrid computing, and a description of a hybrid computer structure and of task sharing between computers, this course proposes a description of hybrid hardware used in Saclay and Cadarache computing centres, and of operations performed by these systems. The next part addresses issues related to programming languages and software. The fourth part describes how a problem is organised for its processing on these computers. Methods of hybrid analysis are then addressed: resolution of optimisation problems, of partial differential equations, and of integral equations by means of different methods (gradient, maximum principle, characteristics, functional approximation, time slicing, Monte Carlo, Neumann iteration, Fischer iteration)

  18. Calculation of projected ranges

    International Nuclear Information System (INIS)

    Biersack, J.P.

    1980-09-01

    The concept of multiple scattering is reconsidered for obtaining the directional spreading of ion motion as a function of energy loss. From this the mean projection of each pathlength element of the ion trajectory is derived which - upon summation or integration - leads to the desired mean projected range. In special cases, the calculation can be carried out analytically, otherwise a simple general algorithm is derived which is suitable even for the smallest programmable calculators. Necessary input for the present treatment consists only of generally accessable stopping power and straggling formulas. The procedure does not rely on scattering cross sections, e.g. power potential or f(t 1 sup(/) 2 ) approximations. The present approach lends itself easily to include electronic straggling or to treat composed target materials, or even to account for the so-called time integral. (orig.)

  19. Spallation reactions: calculations

    International Nuclear Information System (INIS)

    Bertini, H.W.

    1975-01-01

    Current methods for calculating spallation reactions over various energy ranges are described and evaluated. Recent semiempirical fits to existing data will probably yield the most accurate predictions for these reactions in general. However, if the products in question have binding energies appreciably different from their isotropic neighbors and if the cross section is approximately 30 mb or larger, then the intranuclear-cascade-evaporation approach is probably better suited. (6 tables, 12 figures, 34 references) (U.S.)

  20. Performance assessment calculational exercises

    International Nuclear Information System (INIS)

    Barnard, R.W.; Dockery, H.A.

    1990-01-01

    The Performance Assessment Calculational Exercises (PACE) are an ongoing effort coordinated by Yucca Mountain Project Office. The objectives of fiscal year 1990 work, termed PACE-90, as outlined in the Department of Energy Performance Assessment (PA) Implementation Plan were to develop PA capabilities among Yucca Mountain Project (YMP) participants by calculating performance of a Yucca Mountain (YM) repository under ''expected'' and also ''disturbed'' conditions, to identify critical elements and processes necessary to assess the performance of YM, and to perform sensitivity studies on key parameters. It was expected that the PACE problems would aid in development of conceptual models and eventual evaluation of site data. The PACE-90 participants calculated transport of a selected set of radionuclides through a portion of Yucca Mountain for a period of 100,000 years. Results include analyses of fluid-flow profiles, development of a source term for radionuclide release, and simulations of contaminant transport in the fluid-flow field. Later work included development of a problem definition for perturbations to the originally modeled conditions and for some parametric sensitivity studies. 3 refs

  1. Higher spin gauge theories

    CERN Document Server

    Henneaux, Marc; Vasiliev, Mikhail A

    2017-01-01

    Symmetries play a fundamental role in physics. Non-Abelian gauge symmetries are the symmetries behind theories for massless spin-1 particles, while the reparametrization symmetry is behind Einstein's gravity theory for massless spin-2 particles. In supersymmetric theories these particles can be connected also to massless fermionic particles. Does Nature stop at spin-2 or can there also be massless higher spin theories. In the past strong indications have been given that such theories do not exist. However, in recent times ways to evade those constraints have been found and higher spin gauge theories have been constructed. With the advent of the AdS/CFT duality correspondence even stronger indications have been given that higher spin gauge theories play an important role in fundamental physics. All these issues were discussed at an international workshop in Singapore in November 2015 where the leading scientists in the field participated. This volume presents an up-to-date, detailed overview of the theories i...

  2. INTERNATIONALIZATION IN HIGHER EDUCATION

    Directory of Open Access Journals (Sweden)

    Catalina Crisan-Mitra

    2016-03-01

    Full Text Available Internationalization of higher education is one of the key trends of development. There are several approaches on how to achieve competitiveness and performance in higher education and international academic mobility; students’ exchange programs, partnerships are some of the aspects that can play a significant role in this process. This paper wants to point out the student’s perception regarding two main directions: one about the master students’ expectation regarding how an internationalized master should be organized and should function, and second the degree of satisfaction of the beneficiaries of internationalized master programs from Babe-Bolyai University. This article is based on an empirical qualitative research that was implemented to students of an internationalized master from the Faculty of Economics and Business Administration. This research can be considered a useful example for those preoccupied to increase the quality of higher education and conclusions drawn have relevance both theoretically and especially practically.

  3. Quality of Higher Education

    DEFF Research Database (Denmark)

    Zou, Yihuan; Zhao, Yingsheng; Du, Xiangyun

    . This transformation involves a broad scale of change at individual level, organizational level, and societal level. In this change process in higher education, staff development remains one of the key elements for university innovation and at the same time demands a systematic and holistic approach.......This paper starts with a critical approach to reflect on the current practice of quality assessment and assurance in higher education. This is followed by a proposal that in response to the global challenges for improving the quality of higher education, universities should take active actions...... of change by improving the quality of teaching and learning. From a constructivist perspective of understanding education and learning, this paper also discusses why and how universities should give more weight to learning and change the traditional role of teaching to an innovative approach of facilitation...

  4. Reputation in Higher Education

    DEFF Research Database (Denmark)

    Martensen, Anne; Grønholdt, Lars

    2005-01-01

    leaders of higher education institutions to set strategic directions and support their decisions in an effort to create even better study programmes with a better reputation. Finally, managerial implications and directions for future research are discussed.Keywords: Reputation, image, corporate identity......The purpose of this paper is to develop a reputation model for higher education programmes, provide empirical evidence for the model and illustrate its application by using Copenhagen Business School (CBS) as the recurrent case. The developed model is a cause-and-effect model linking image...

  5. Reputation in Higher Education

    DEFF Research Database (Denmark)

    Plewa, Carolin; Ho, Joanne; Conduit, Jodie

    2016-01-01

    Reputation is critical for institutions wishing to attract and retain students in today's competitive higher education setting. Drawing on the resource based view and configuration theory, this research proposes that Higher Education Institutions (HEIs) need to understand not only the impact...... of independent resources but of resource configurations when seeking to achieve a strong, positive reputation. Utilizing fuzzy set qualitative comparative analysis (fsQCA), the paper provides insight into different configurations of resources that HEIs can utilize to build their reputation within their domestic...

  6. Navigating in higher education

    DEFF Research Database (Denmark)

    Thingholm, Hanne Balsby; Reimer, David; Keiding, Tina Bering

    Denne rapport er skrevet på baggrund af spørgeskemaundersøgelsen – Navigating in Higher Education (NiHE) – der rummer besvarelser fra 1410 bachelorstuderende og 283 undervisere fordelt på ni uddannelser fra Aarhus Universitet: Uddannelsesvidenskab, Historie, Nordisk sprog og litteratur, Informati......Denne rapport er skrevet på baggrund af spørgeskemaundersøgelsen – Navigating in Higher Education (NiHE) – der rummer besvarelser fra 1410 bachelorstuderende og 283 undervisere fordelt på ni uddannelser fra Aarhus Universitet: Uddannelsesvidenskab, Historie, Nordisk sprog og litteratur...

  7. Exploring Higher Thinking.

    Science.gov (United States)

    Conover, Willis M.

    1992-01-01

    Maintains that the social studies reform movement includes a call for the de-emphasis of rote memory and more attention to the development of higher-order thinking skills. Discusses the "thinking tasks" concept derived from the work of Hilda Taba and asserts that the tasks can be used with almost any social studies topic. (CFR)

  8. 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...

  9. Inflation from higher dimensions

    International Nuclear Information System (INIS)

    Shafi, Q.

    1987-01-01

    We argue that an inflationary phase in the very early universe is related to the transition from a higher dimensional to a four-dimensional universe. We present details of a previously considered model which gives sufficient inflation without fine tuning of parameters. (orig.)

  10. Higher Education Funding Formulas.

    Science.gov (United States)

    McKeown-Moak, Mary P.

    1999-01-01

    One of the most critical components of the college or university chief financial officer's job is budget planning, especially using formulas. A discussion of funding formulas looks at advantages, disadvantages, and types of formulas used by states in budgeting for higher education, and examines how chief financial officers can position the campus…

  11. Liberty and Higher Education.

    Science.gov (United States)

    Thompson, Dennis F.

    1989-01-01

    John Stuart Mill's principle of liberty is discussed with the view that it needs to be revised to guide moral judgments in higher education. Three key elements need to be modified: the action that is constrained; the constraint on the action; and the agent whose action is constrained. (MLW)

  12. Fuel Class Higher Alcohols

    KAUST Repository

    Sarathy, Mani

    2016-01-01

    This chapter focuses on the production and combustion of alcohol fuels with four or more carbon atoms, which we classify as higher alcohols. It assesses the feasibility of utilizing various C4-C8 alcohols as fuels for internal combustion engines

  13. Evaluation in Higher Education

    Science.gov (United States)

    Bognar, Branko; Bungic, Maja

    2014-01-01

    One of the means of transforming classroom experience is by conducting action research with students. This paper reports about the action research with university students. It has been carried out within a semester of the course "Methods of Upbringing". Its goal has been to improve evaluation of higher education teaching. Different forms…

  14. Higher-level Innovization

    DEFF Research Database (Denmark)

    Bandaru, Sunith; Tutum, Cem Celal; Deb, Kalyanmoy

    2011-01-01

    we introduce the higher-level innovization task through an application of a manufacturing process simulation for the Friction Stir Welding (FSW) process where commonalities among two different Pareto-optimal fronts are analyzed. Multiple design rules are simultaneously deciphered from each front...

  15. Benchmarking for Higher Education.

    Science.gov (United States)

    Jackson, Norman, Ed.; Lund, Helen, Ed.

    The chapters in this collection explore the concept of benchmarking as it is being used and developed in higher education (HE). Case studies and reviews show how universities in the United Kingdom are using benchmarking to aid in self-regulation and self-improvement. The chapters are: (1) "Introduction to Benchmarking" (Norman Jackson…

  16. Creativity in Higher Education

    Science.gov (United States)

    Gaspar, Drazena; Mabic, Mirela

    2015-01-01

    The paper presents results of research related to perception of creativity in higher education made by the authors at the University of Mostar from Bosnia and Herzegovina. This research was based on a survey conducted among teachers and students at the University. The authors developed two types of questionnaires, one for teachers and the other…

  17. California's Future: Higher Education

    Science.gov (United States)

    Johnson, Hans

    2015-01-01

    California's higher education system is not keeping up with the changing economy. Projections suggest that the state's economy will continue to need more highly educated workers. In 2025, if current trends persist, 41 percent of jobs will require at least a bachelor's degree and 36 percent will require some college education short of a bachelor's…

  18. Cyberbullying in Higher Education

    Science.gov (United States)

    Minor, Maria A.; Smith, Gina S.; Brashen, Henry

    2013-01-01

    Bullying has extended beyond the schoolyard into online forums in the form of cyberbullying. Cyberbullying is a growing concern due to the effect on its victims. Current studies focus on grades K-12; however, cyberbullying has entered the world of higher education. The focus of this study was to identify the existence of cyberbullying in higher…

  19. Competitiveness - higher education

    Directory of Open Access Journals (Sweden)

    Labas Istvan

    2016-03-01

    Full Text Available Involvement of European Union plays an important role in the areas of education and training equally. The member states are responsible for organizing and operating their education and training systems themselves. And, EU policy is aimed at supporting the efforts of member states and trying to find solutions for the common challenges which appear. In order to make our future sustainable maximally; the key to it lies in education. The highly qualified workforce is the key to development, advancement and innovation of the world. Nowadays, the competitiveness of higher education institutions has become more and more appreciated in the national economy. In recent years, the frameworks of operation of higher education systems have gone through a total transformation. The number of applying students is continuously decreasing in some European countries therefore only those institutions can “survive” this shortfall, which are able to minimize the loss of the number of students. In this process, the factors forming the competitiveness of these budgetary institutions play an important role from the point of view of survival. The more competitive a higher education institution is, the greater the chance is that the students would like to continue their studies there and thus this institution will have a greater chance for the survival in the future, compared to ones lagging behind in the competition. Aim of our treatise prepared is to present the current situation and main data of the EU higher education and we examine the performance of higher education: to what extent it fulfils the strategy for smart, sustainable and inclusive growth which is worded in the framework of Europe 2020 programme. The treatise is based on analysis of statistical data.

  20. Calculations of coincident ionization plus excitation

    International Nuclear Information System (INIS)

    Becker, R.L.

    1986-01-01

    For Li- and Be-like ions, K x-ray yields, together with detection that the ionic charge has increased, give the cross section for ionization plus excitation (IE), a process which can exhibit electron-electron correlations. Measurements of IE for 14 Si 11+ + He stimulated our coupled-channels calculations in the independent-Fermi-particle model (IFPM), which includes Pauli correlations. We discuss how the IFPM expressions, generalized here to include an open shell, differ from those for distinguishable electrons. The sensitivity of σ/sub IE/ to correlations is shown. Recent additional measurements and future ones giving excitation functions for resolved configurations and complementary Auger data will provide even more sensitive tests of collisional correlation theory. 15 refs., 3 figs., 1 tab

  1. High accurate volume holographic correlator with 4000 parallel correlation channels

    Science.gov (United States)

    Ni, Kai; Qu, Zongyao; Cao, Liangcai; Su, Ping; He, Qingsheng; Jin, Guofan

    2008-03-01

    Volume holographic correlator allows simultaneously calculate the two-dimensional inner product between the input image and each stored image. We have recently experimentally implemented in VHC 4000 parallel correlation channels with better than 98% output accuracy in a single location in a crystal. The speckle modulation is used to suppress the sidelobes of the correlation patterns, allowing more correlation spots to be contained in the output plane. A modified exposure schedule is designed to ensure the hologram in each channel with unity diffraction efficiency. In this schedule, a restricted coefficient was introduced into the original exposure schedule to solve the problem that the sensitivity and time constant of the crystal will change as a time function when in high-capacity storage. An interleaving method is proposed to improve the output accuracy. By unifying the distribution of the input and stored image patterns without changing the inner products between them, this method could eliminate the impact of correlation pattern variety on calculated inner product values. Moreover, by using this method, the maximum correlation spot size is reduced, which decreases the required minimum safe clearance between neighboring spots in the output plane, allowing more spots to be parallely detected without crosstalk. The experimental results are given and analyzed.

  2. Autofocus and fusion using nonlinear correlation

    International Nuclear Information System (INIS)

    Cabazos-Marín, Alma Rocío; Álvarez-Borrego, Josué; Coronel-Beltrán, Ángel

    2014-01-01

    In this work a new algorithm is proposed for auto focusing and images fusion captured by microscope's CCD. The proposed algorithm for auto focusing implements the spiral scanning of each image in the stack f(x, y) w to define the V w vector. The spectrum of the vector FV w is calculated by fast Fourier transform. The best in-focus image is determined by a focus measure that is obtained by the FV 1 nonlinear correlation vector, of the reference image, with each other FV W images in the stack. In addition, fusion is performed with a subset of selected images f(x, y) SBF like the images with best focus measurement. Fusion creates a new improved image f(x, y) F with the selection of pixels of higher intensity

  3. Autofocus and fusion using nonlinear correlation

    Energy Technology Data Exchange (ETDEWEB)

    Cabazos-Marín, Alma Rocío [Departamento de Investigación en Física, Universidad de Sonora (UNISON), Luis Encinas y Rosales S/N, Col. Centro, Hermosillo, Sonora C.P. 8300 (Mexico); Álvarez-Borrego, Josué, E-mail: josue@cicese.mx [Centro de Investigación Científica y de Educación Superior de Ensenada (CICESE), División de Física Aplicada, Departamento de Óptica, Carretera Ensenada-Tijuana No. 3918, Fraccionamiento Zona Playitas, Ensena (Mexico); Coronel-Beltrán, Ángel [Departamento de Investigación en Física, Universidad de Sonora (UNISON), Luis Encinas y Rosales S/N, Col. Centro, Hermosillo, Sonora C,.P. 83000 (Mexico)

    2014-10-06

    In this work a new algorithm is proposed for auto focusing and images fusion captured by microscope's CCD. The proposed algorithm for auto focusing implements the spiral scanning of each image in the stack f(x, y){sub w} to define the V{sub w} vector. The spectrum of the vector FV{sub w} is calculated by fast Fourier transform. The best in-focus image is determined by a focus measure that is obtained by the FV{sub 1} nonlinear correlation vector, of the reference image, with each other FV{sub W} images in the stack. In addition, fusion is performed with a subset of selected images f(x, y){sub SBF} like the images with best focus measurement. Fusion creates a new improved image f(x, y){sub F} with the selection of pixels of higher intensity.

  4. Correlation between natural radiation exposure and cancer mortality, (4)

    International Nuclear Information System (INIS)

    Noguchi, Kunikazu; Shimizu, Masami; Sairenji, Eiko; Anzai, Ikuro.

    1987-01-01

    In the previous studies, using Pearson's product moment correlation coefficient, we found that in most cases of cancers, statistically significant positive correlations were observed between natural background radiation exposure rate and crude cancer mortality rate over the period 1950 - 1978. Furthermore, we found that the statistical significance of correlation between natural background radiation exposure rate and the age-adjusted cancer mortality rate in the same period mostly disappeared. We studied the cause of this apparent correlation and found that the prefecture with a higher natural background radiation exposure rate had a greater component ratio of older people. In Japan, a number of prefectures with a higher natural background exposure rate are located in relatively thinly populated districts which have been experiencing an outflow of the younger generation to more highly industrialized and urbanized areas. Therefore, statistically significant positive correlations were observed for almost all cancers between natural background radiation exposure rate and crude cancer mortality rate. In the present investigation, we statistically tested the frequency distributions of natural background radiation exposure rate and age-adjusted cancer mortality rate, and calculated Spearman's rank correlation coefficient between natural background radiation exposure rate and the age-adjusted cancer mortality rate. The frequency distribution of the natural background radiation exposure rate and that of the age-adjusted mortality rate appeared normal in most cases of cancer, and the statistical significance of correlation between natural background exposure rate and the age-adjusted cancer mortality rate did not differ much on the whole, even though we used Spearman's rank correlation coefficient between them. (author)

  5. Correlation between natural radiation exposure and cancer mortality, (4)

    Energy Technology Data Exchange (ETDEWEB)

    Noguchi, Kunikazu; Shimizu, Masami; Sairenji, Eiko; Anzai, Ikuro

    1987-03-01

    In the previous studies, using Pearson's product moment correlation coefficient, we found that in most cases of cancers, statistically significant positive correlations were observed between natural background radiation exposure rate and crude cancer mortality rate over the period 1950 - 1978. Furthermore, we found that the statistical significance of correlation between natural background radiation exposure rate and the age-adjusted cancer mortality rate in the same period mostly disappeared. We studied the cause of this apparent correlation and found that the prefecture with a higher natural background radiation exposure rate had a greater component ratio of older people. In Japan, a number of prefectures with a higher natural background exposure rate are located in relatively thinly populated districts which have been experiencing an outflow of the younger generation to more highly industrialized and urbanized areas. Therefore, statistically significant positive correlations were observed for almost all cancers between natural background radiation exposure rate and crude cancer mortality rate. In the present investigation, we statistically tested the frequency distributions of natural background radiation exposure rate and age-adjusted cancer mortality rate, and calculated Spearman's rank correlation coefficient between natural background radiation exposure rate and the age-adjusted cancer mortality rate. The frequency distribution of the natural background radiation exposure rate and that of the age-adjusted mortality rate appeared normal in most cases of cancer, and the statistical significance of correlation between natural background exposure rate and the age-adjusted cancer mortality rate did not differ much on the whole, even though we used Spearman's rank correlation coefficient between them.

  6. Accurate quantum chemical calculations

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  7. Zero Temperature Hope Calculations

    International Nuclear Information System (INIS)

    Rozsnyai, B. F.

    2002-01-01

    The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task. The Amaldi correction is an attempt to address this problem by distorting the

  8. Calculation of the inventory

    International Nuclear Information System (INIS)

    Heilbron Filho, P.F.L.; Oliveira Brandao, R. de.

    1988-04-01

    The theory of Point Kernel applied to a source uniformelly distributed in a cylindrical geometry was utilized to estimated the Cs-137 content of each package of radioactive waste collected. The Taylor equation was employed to calculate the build-up factor and the Green function G was adjusted by means of a least square method. The theory also takes into account factors such as aditional shielding, heterogeneity and humidity of the medium as well as associated uncertanties of the parameters envolved. (author) [pt

  9. Calculations in furnace technology

    CERN Document Server

    Davies, Clive; Hopkins, DW; Owen, WS

    2013-01-01

    Calculations in Furnace Technology presents the theoretical and practical aspects of furnace technology. This book provides information pertinent to the development, application, and efficiency of furnace technology. Organized into eight chapters, this book begins with an overview of the exothermic reactions that occur when carbon, hydrogen, and sulfur are burned to release the energy available in the fuel. This text then evaluates the efficiencies to measure the quantity of fuel used, of flue gases leaving the plant, of air entering, and the heat lost to the surroundings. Other chapters consi

  10. Deep penetration calculations

    International Nuclear Information System (INIS)

    Thompson, W.L.; Deutsch, O.L.; Booth, T.E.

    1980-04-01

    Several Monte Carlo techniques are compared in the transport of neutrons of different source energies through two different deep-penetration problems each with two parts. The first problem involves transmission through a 200-cm concrete slab. The second problem is a 90 0 bent pipe jacketed by concrete. In one case the pipe is void, and in the other it is filled with liquid sodium. Calculations are made with two different Los Alamos Monte Carlo codes: the continuous-energy code MCNP and the multigroup code MCMG

  11. OPTIMAL CORRELATION ESTIMATORS FOR QUANTIZED SIGNALS

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, M. D.; Chou, H. H.; Gwinn, C. R., E-mail: michaeltdh@physics.ucsb.edu, E-mail: cgwinn@physics.ucsb.edu [Department of Physics, University of California, Santa Barbara, CA 93106 (United States)

    2013-03-10

    Using a maximum-likelihood criterion, we derive optimal correlation strategies for signals with and without digitization. We assume that the signals are drawn from zero-mean Gaussian distributions, as is expected in radio-astronomical applications, and we present correlation estimators both with and without a priori knowledge of the signal variances. We demonstrate that traditional estimators of correlation, which rely on averaging products, exhibit large and paradoxical noise when the correlation is strong. However, we also show that these estimators are fully optimal in the limit of vanishing correlation. We calculate the bias and noise in each of these estimators and discuss their suitability for implementation in modern digital correlators.

  12. OPTIMAL CORRELATION ESTIMATORS FOR QUANTIZED SIGNALS

    International Nuclear Information System (INIS)

    Johnson, M. D.; Chou, H. H.; Gwinn, C. R.

    2013-01-01

    Using a maximum-likelihood criterion, we derive optimal correlation strategies for signals with and without digitization. We assume that the signals are drawn from zero-mean Gaussian distributions, as is expected in radio-astronomical applications, and we present correlation estimators both with and without a priori knowledge of the signal variances. We demonstrate that traditional estimators of correlation, which rely on averaging products, exhibit large and paradoxical noise when the correlation is strong. However, we also show that these estimators are fully optimal in the limit of vanishing correlation. We calculate the bias and noise in each of these estimators and discuss their suitability for implementation in modern digital correlators.

  13. Quantitative gated SPECT: the effect of reconstruction filter on calculated left ventricular ejection fractions and volumes

    International Nuclear Information System (INIS)

    Wright, Graham A.; McDade, Mark; Martin, William; Hutton, William

    2002-01-01

    Gated SPECT (GSPECT) offers the possibility of obtaining additional functional information from perfusion studies, including calculation of left ventricular ejection fraction (LVEF). The calculation of LVEF relies upon the identification of the endocardial surface, which will be affected by the spatial resolution and statistical noise in the reconstructed images. The aim of this study was to compare LVEFs and ventricular volumes calculated from GSPECT using six reconstruction filters. GSPECT and radionuclide ventriculography (RNVG) were performed on 40 patients; filtered back projection was used to reconstruct the datasets with each filter. LVEFs and volumes were calculated using the Cedars-Sinai QGS package. The correlation coefficient between RNVG and GSPECT ranged from 0.81 to 0.86 with higher correlations for smoother filters. The narrowest prediction interval was 11±2%. There was a trend towards higher LVEF values with smoother filters, the ramp filter yielding LVEFs 2.55±3.10% (p<0.001) lower than the Hann filter. There was an overall fall in ventricular volumes with smoother filters with a mean difference of 13.98±10.15 ml (p<0.001) in EDV between the Butterworth-0.5 and Butterworth-0.3 filters. In conclusion, smoother reconstruction filters lead to lower volumes and higher ejection fractions with the QGS algorithm, with the Butterworth-0.4 filter giving the highest correlation with LVEFs from RNVG. Even if the optimal filter is chosen the uncertainty in the measured ejection fractions is still too great to be clinically acceptable. (author)

  14. Benchmark calculation of subchannel analysis codes

    International Nuclear Information System (INIS)

    1996-02-01

    In order to evaluate the analysis capabilities of various subchannel codes used in thermal-hydraulic design of light water reactors, benchmark calculations were performed. The selected benchmark problems and major findings obtained by the calculations were as follows: (1)As for single-phase flow mixing experiments between two channels, the calculated results of water temperature distribution along the flow direction were agreed with experimental results by tuning turbulent mixing coefficients properly. However, the effect of gap width observed in the experiments could not be predicted by the subchannel codes. (2)As for two-phase flow mixing experiments between two channels, in high water flow rate cases, the calculated distributions of air and water flows in each channel were well agreed with the experimental results. In low water flow cases, on the other hand, the air mixing rates were underestimated. (3)As for two-phase flow mixing experiments among multi-channels, the calculated mass velocities at channel exit under steady-state condition were agreed with experimental values within about 10%. However, the predictive errors of exit qualities were as high as 30%. (4)As for critical heat flux(CHF) experiments, two different results were obtained. A code indicated that the calculated CHF's using KfK or EPRI correlations were well agreed with the experimental results, while another code suggested that the CHF's were well predicted by using WSC-2 correlation or Weisman-Pei mechanistic model. (5)As for droplets entrainment and deposition experiments, it was indicated that the predictive capability was significantly increased by improving correlations. On the other hand, a remarkable discrepancy between codes was observed. That is, a code underestimated the droplet flow rate and overestimated the liquid film flow rate in high quality cases, while another code overestimated the droplet flow rate and underestimated the liquid film flow rate in low quality cases. (J.P.N.)

  15. Radiosensitivity of higher plants

    International Nuclear Information System (INIS)

    Feng Zhijie

    1992-11-01

    The general views on radiosensitivity of higher plants have been introduced from published references. The radiosensitivity varies with species, varieties and organs or tissues. The main factors of determining the radiosensitivity in different species are nucleus volume, chromosome volume, DNA content and endogenous compounds. The self-repair ability of DNA damage and chemical group of biological molecules, such as -SH thiohydroxy of proteins, are main factors to determine the radiosensitivity in different varieties. The moisture, oxygen, temperature radiosensitizer and protector are important external factors for radiosensitivity. Both the multiple target model and Chadwick-Leenhouts model are ideal mathematical models for describing the radiosensitivity of higher plants and the latter has more clear significance in biology

  16. Higher Education Language Policy

    DEFF Research Database (Denmark)

    Lauridsen, Karen M.

    2013-01-01

    Summary of recommendations HEIs are encouraged, within the framework of their own societal context, mission, vision and strategies, to develop the aims and objectives of a Higher Education Language Policy (HELP) that allows them to implement these strategies. In this process, they may want......: As the first step in a Higher Education Language Policy, HEIs should determine the relative status and use of the languages employed in the institution, taking into consideration the answers to the following questions:  What is/are the official language(s) of the HEI?  What is/are the language...... and the level of internationalisation the HEI has or wants to have, and as a direct implication of that, what are the language proficiency levels expected from the graduates of these programme?  Given the profile of the HEI and its educational strategies, which language components are to be offered within...

  17. Reactor perturbation calculations by Monte Carlo methods

    International Nuclear Information System (INIS)

    Gubbins, M.E.

    1965-09-01

    Whilst Monte Carlo methods are useful for reactor calculations involving complicated geometry, it is difficult to apply them to the calculation of perturbation worths because of the large amount of computing time needed to obtain good accuracy. Various ways of overcoming these difficulties are investigated in this report, with the problem of estimating absorbing control rod worths particularly in mind. As a basis for discussion a method of carrying out multigroup reactor calculations by Monte Carlo methods is described. Two methods of estimating a perturbation worth directly, without differencing two quantities of like magnitude, are examined closely but are passed over in favour of a third method based on a correlation technique. This correlation method is described, and demonstrated by a limited range of calculations for absorbing control rods in a fast reactor. In these calculations control rod worths of between 1% and 7% in reactivity are estimated to an accuracy better than 10% (3 standard errors) in about one hour's computing time on the English Electric KDF.9 digital computer. (author)

  18. Weldon Spring dose calculations

    International Nuclear Information System (INIS)

    Dickson, H.W.; Hill, G.S.; Perdue, P.T.

    1978-09-01

    In response to a request by the Oak Ridge Operations (ORO) Office of the Department of Energy (DOE) for assistance to the Department of the Army (DA) on the decommissioning of the Weldon Spring Chemical Plant, the Health and Safety Research Division of the Oak Ridge National Laboratory (ORNL) performed limited dose assessment calculations for that site. Based upon radiological measurements from a number of soil samples analyzed by ORNL and from previously acquired radiological data for the Weldon Spring site, source terms were derived to calculate radiation doses for three specific site scenarios. These three hypothetical scenarios are: a wildlife refuge for hunting, fishing, and general outdoor recreation; a school with 40 hr per week occupancy by students and a custodian; and a truck farm producing fruits, vegetables, meat, and dairy products which may be consumed on site. Radiation doses are reported for each of these scenarios both for measured uranium daughter equilibrium ratios and for assumed secular equilibrium. Doses are lower for the nonequilibrium case

  19. Configuration space Faddeev calculations

    International Nuclear Information System (INIS)

    Payne, G.L.; Klink, W.H.; Polyzou, W.N.

    1989-01-01

    The detailed study of few-body systems provides one of the most effective means for studying nuclear physics at subnucleon distance scales. For few-body systems the model equations can be solved numerically with errors less than the experimental uncertainties. We have used such systems to investigate the size of relativistic effects, the role of meson-exchange currents, and the importance of quark degrees of freedom in the nucleus. Complete calculations for momentum-dependent potentials have been performed, and the properties of the three-body bound state for these potentials have been studied. Few-body calculations of the electromagnetic form factors of the deuteron and pion have been carried out using a front-form formulation of relativistic quantum mechanics. The decomposition of the operators transforming convariantly under the Poincare group into kinematical and dynamical parts has been studies. New ways for constructing interactions between particles, as well as interactions which lead to the production of particles, have been constructed in the context of a relativistic quantum mechanics. To compute scattering amplitudes in a nonperturbative way, classes of operators have been generated out of which the phase operator may be constructed. Finally, we have worked out procedures for computing Clebsch-Gordan and Racah coefficients on a computer, as well as giving procedures for dealing with the multiplicity problem

  20. Buoyant plume calculations

    International Nuclear Information System (INIS)

    Penner, J.E.; Haselman, L.C.; Edwards, L.L.

    1985-01-01

    Smoke from raging fires produced in the aftermath of a major nuclear exchange has been predicted to cause large decreases in surface temperatures. However, the extent of the decrease and even the sign of the temperature change, depend on how the smoke is distributed with altitude. We present a model capable of evaluating the initial distribution of lofted smoke above a massive fire. Calculations are shown for a two-dimensional slab version of the model and a full three-dimensional version. The model has been evaluated by simulating smoke heights for the Hamburg firestorm of 1943 and a smaller scale oil fire which occurred in Long Beach in 1958. Our plume heights for these fires are compared to those predicted by the classical Morton-Taylor-Turner theory for weakly buoyant plumes. We consider the effect of the added buoyancy caused by condensation of water-laden ground level air being carried to high altitude with the convection column as well as the effects of background wind on the calculated smoke plume heights for several fire intensities. We find that the rise height of the plume depends on the assumed background atmospheric conditions as well as the fire intensity. Little smoke is injected into the stratosphere unless the fire is unusually intense, or atmospheric conditions are more unstable than we have assumed. For intense fires significant amounts of water vapor are condensed raising the possibility of early scavenging of smoke particles by precipitation. 26 references, 11 figures

  1. Shielding calculations for NET

    International Nuclear Information System (INIS)

    Verschuur, K.A.; Hogenbirk, A.

    1991-05-01

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

  2. Dynamic evolution of cross-correlations in the Chinese stock market.

    Science.gov (United States)

    Ren, Fei; Zhou, Wei-Xing

    2014-01-01

    The analysis of cross-correlations is extensively applied for the understanding of interconnections in stock markets and the portfolio risk estimation. Current studies of correlations in Chinese market mainly focus on the static correlations between return series, and this calls for an urgent need to investigate their dynamic correlations. Our study aims to reveal the dynamic evolution of cross-correlations in the Chinese stock market, and offer an exact interpretation for the evolution behavior. The correlation matrices constructed from the return series of 367 A-share stocks traded on the Shanghai Stock Exchange from January 4, 1999 to December 30, 2011 are calculated over a moving window with a size of 400 days. The evolutions of the statistical properties of the correlation coefficients, eigenvalues, and eigenvectors of the correlation matrices are carefully analyzed. We find that the stock correlations are significantly increased in the periods of two market crashes in 2001 and 2008, during which only five eigenvalues significantly deviate from the random correlation matrix, and the systemic risk is higher in these volatile periods than calm periods. By investigating the significant contributors of the deviating eigenvectors in different time periods, we observe a dynamic evolution behavior in business sectors such as IT, electronics, and real estate, which lead the rise (drop) before (after) the crashes. Our results provide new perspectives for the understanding of the dynamic evolution of cross-correlations in the Chines stock markets, and the result of risk estimation is valuable for the application of risk management.

  3. Many body calculations in atomic physics

    International Nuclear Information System (INIS)

    Kelly, H.P.

    1985-01-01

    The use of the many-body perturbation theory for atomic calculations are reviewed. The major emphasis is on the use of the linked-cluster many-body perturbation theory derived by Brueckner and Goldstone. Applications of many-body theory to calculations of hyperfine structure are examined. Auger rates and parity violation are discussed. Photoionization is reviewed, and the authors show how many-body perturbation theory can be applied to problems ranging from structural properties such as correlation energies and hyperfine structure to dynamical properties such as transitions induced by weak neutral currents and photoionization cross sections

  4. Software Correlator for Radioastron Mission

    Science.gov (United States)

    Likhachev, Sergey F.; Kostenko, Vladimir I.; Girin, Igor A.; Andrianov, Andrey S.; Rudnitskiy, Alexey G.; Zharov, Vladimir E.

    In this paper, we discuss the characteristics and operation of Astro Space Center (ASC) software FX correlator that is an important component of space-ground interferometer for Radioastron project. This project performs joint observations of compact radio sources using 10m space radio telescope (SRT) together with ground radio telescopes at 92, 18, 6 and 1.3 cm wavelengths. In this paper, we describe the main features of space-ground VLBI data processing of Radioastron project using ASC correlator. Quality of implemented fringe search procedure provides positive results without significant losses in correlated amplitude. ASC Correlator has a computational power close to real time operation. The correlator has a number of processing modes: “Continuum”, “Spectral Line”, “Pulsars”, “Giant Pulses”,“Coherent”. Special attention is paid to peculiarities of Radioastron space-ground VLBI data processing. The algorithms of time delay and delay rate calculation are also discussed, which is a matter of principle for data correlation of space-ground interferometers. During five years of Radioastron SRT successful operation, ASC correlator showed high potential of satisfying steady growing needs of current and future ground and space VLBI science. Results of ASC software correlator operation are demonstrated.

  5. Higher fractions theory of fractional hall effect

    International Nuclear Information System (INIS)

    Kostadinov, I.Z.; Popov, V.N.

    1985-07-01

    A theory of fractional quantum Hall effect is generalized to higher fractions. N-particle model interaction is used and the gap is expressed through n-particles wave function. The excitation spectrum in general and the mean field critical behaviour are determined. The Hall conductivity is calculated from first principles. (author)

  6. Calculating graduation rates.

    Science.gov (United States)

    Starck, Patricia L; Love, Karen; McPherson, Robert

    2008-01-01

    In recent years, the focus has been on increasing the number of registered nurse (RN) graduates. Numerous states have initiated programs to increase the number and quality of students entering nursing programs, and to expand the capacity of their programs to enroll additional qualified students. However, little attention has been focused on an equally, if not more, effective method for increasing the number of RNs produced-increasing the graduation rate of students enrolling. This article describes a project that undertook the task of compiling graduation data for 15 entry-level programs, standardizing terms and calculations for compiling the data, and producing a regional report on graduation rates of RN students overall and by type of program. Methodology is outlined in this article. This effort produced results that were surprising to program deans and directors and is expected to produce greater collaborative efforts to improve these rates both locally and statewide.

  7. Mice take calculated risks.

    Science.gov (United States)

    Kheifets, Aaron; Gallistel, C R

    2012-05-29

    Animals successfully navigate the world despite having only incomplete information about behaviorally important contingencies. It is an open question to what degree this behavior is driven by estimates of stochastic parameters (brain-constructed models of the experienced world) and to what degree it is directed by reinforcement-driven processes that optimize behavior in the limit without estimating stochastic parameters (model-free adaptation processes, such as associative learning). We find that mice adjust their behavior in response to a change in probability more quickly and abruptly than can be explained by differential reinforcement. Our results imply that mice represent probabilities and perform calculations over them to optimize their behavior, even when the optimization produces negligible material gain.

  8. Smile esthetics: calculated beauty?

    Science.gov (United States)

    Lecocq, Guillaume; Truong Tan Trung, Lisa

    2014-06-01

    Esthetic demand from patients continues to increase. Consequently, the treatments we offer are moving towards more discreet or invisible techniques using lingual brackets in order to achieve harmonious, balanced results in line with our treatment goals. As orthodontists, we act upon relationships between teeth and bone. And the equilibrium they create impacts the entire face via the smile. A balanced smile is essential to an esthetic outcome and is governed by rules, which guide both the practitioner and patient. A smile can be described in terms of mathematical ratios and proportions but beauty cannot be calculated. For the smile to sit harmoniously within the face, we need to take into account facial proportions and the possibility of their being modified by our orthopedic appliances or by surgery. Copyright © 2014 CEO. Published by Elsevier Masson SAS. All rights reserved.

  9. Correlated binomial models and correlation structures

    International Nuclear Information System (INIS)

    Hisakado, Masato; Kitsukawa, Kenji; Mori, Shintaro

    2006-01-01

    We discuss a general method to construct correlated binomial distributions by imposing several consistent relations on the joint probability function. We obtain self-consistency relations for the conditional correlations and conditional probabilities. The beta-binomial distribution is derived by a strong symmetric assumption on the conditional correlations. Our derivation clarifies the 'correlation' structure of the beta-binomial distribution. It is also possible to study the correlation structures of other probability distributions of exchangeable (homogeneous) correlated Bernoulli random variables. We study some distribution functions and discuss their behaviours in terms of their correlation structures

  10. Higher Education in Scandinavia

    DEFF Research Database (Denmark)

    Nielsen, Jørgen Lerche; Andreasen, Lars Birch

    2015-01-01

    Higher education systems around the world have been undergoing fundamental changes through the last 50 years from more narrow self-sustaining universities for the elite and into mass universities, where new groups of students have been recruited and the number of students enrolled has increased...... an impact on the educational systems in Scandinavia, and what possible futures can be envisioned?...... dramatically. In adjusting to the role of being a mass educational institution, universities have been challenged on how to cope with external pressures, such as forces of globalization and international markets, increased national and international competition for students and research grants, increased...

  11. Higher engineering mathematics

    CERN Document Server

    John Bird

    2014-01-01

    A practical introduction to the core mathematics principles required at higher engineering levelJohn Bird's approach to mathematics, based on numerous worked examples and interactive problems, is ideal for vocational students that require an advanced textbook.Theory is kept to a minimum, with the emphasis firmly placed on problem-solving skills, making this a thoroughly practical introduction to the advanced mathematics engineering that students need to master. The extensive and thorough topic coverage makes this an ideal text for upper level vocational courses. Now in

  12. Spatial correlations in compressible granular flows

    NARCIS (Netherlands)

    van Noije, T.P.C.; Ernst, M.H.; Brito, R.

    The clustering instability in freely evolving granular fluids manifests itself in the density-density correlation function and structure factor. These functions are calculated from fluctuating hydrodynamics. As time increases, the structure factor of density fluctuations develops a maximum, which

  13. Ultrasonic Detection Using Correlation Images (Preprint)

    National Research Council Canada - National Science Library

    Cepel, Raini; Ho, K. C; Rinker, Brett A; Palmer, Donald D; Neal, Steven P

    2006-01-01

    .... In this paper, we describe an amplitude independent approach for imaging and detection based on the similarity of adjacent signals, quantified by the correlation coefficient calculated between A-scans...

  14. Towards higher intensities

    CERN Multimedia

    CERN Bulletin

    2010-01-01

    Over the past 2 weeks, commissioning of the machine protection system has advanced significantly, opening up the possibility of higher intensity collisions at 3.5 TeV. The intensity has been increased from 2 bunches of 1010 protons to 6 bunches of 2x1010 protons. Luminosities of 6x1028 cm-2s-1 have been achieved at the start of fills, a factor of 60 higher than those provided for the first collisions on 30 March.   The recent increase in LHC luminosity as recorded by the experiments. (Graph courtesy of the experiments and M. Ferro-Luzzi) To increase the luminosity further, the commissioning crews are now trying to push up the intensity of the individual proton bunches. After the successful injection of nominal intensity bunches containing 1.1x1011 protons, collisions were subsequently achieved at 450 GeV with these intensities. However, half-way through the first ramping of these nominal intensity bunches to 3.5 TeV on 15 May, a beam instability was observed, leading to partial beam loss...

  15. nmr spectroscopic study and dft calculations of vibrational analyses

    African Journals Online (AJOL)

    Preferred Customer

    2Plant, Drug and Scientific Research Centre, Anadolu University, 26470, ... Density functional theory (DFT) calculations provide excellent agreement with ..... simple correlation between 1JCH and the hybridization of the carbon atom involved; ...

  16. Methods for calculating anisotropic transfer cross sections

    International Nuclear Information System (INIS)

    Cai, Shaohui; Zhang, Yixin.

    1985-01-01

    The Legendre moments of the group transfer cross section, which are widely used in the numerical solution of the transport calculation can be efficiently and accurately constructed from low-order (K = 1--2) successive partial range moments. This is convenient for the generation of group constants. In addition, a technique to obtain group-angle correlation transfer cross section without Legendre expansion is presented. (author)

  17. Engineering Judgment and Natural Circulation Calculations

    OpenAIRE

    Ferreri, J. C.

    2011-01-01

    The analysis performed to establish the validity of computer code results in the particular field of natural circulation flow stability calculations is presented in the light of usual engineering practice. The effects of discretization and closure correlations are discussed and some hints to avoid undesired mistakes in the evaluations performed are given. Additionally, the results are presented for an experiment relevant to the way in which a (small) number of skilled, nuclear safety analysts...

  18. Teaching at higher levels

    Science.gov (United States)

    1998-11-01

    Undergraduate physics programmes for the 21st century were under discussion at a recent event held in Arlington, USA, open to two or three members of the physics faculties of universities from across the whole country. The conference was organized by the American Association of Physics Teachers with co-sponsorship from the American Institute of Physics, the American Physical Society and Project Kaleidoscope. Among the various aims were to learn about physics departments that have successfully revitalized their undergraduate physics programmes with innovative introductory physics courses and multi-track majors programmes. Engineers and life scientists were to be asked directly how physics programmes can better serve their students, and business leaders would be speaking on how physics departments can help to prepare their students for the diverse careers that they will eventually follow. It was planned to highlight ways that departments could fulfil their responsibilities towards trainee teachers, to identify the resources needed for revitalizing a department's programme, and to develop guidelines and recommendations for a funding programme to support collaborative efforts among physics departments for carrying out the enhancements required. More details about the conference can be found on the AAPT website (see http://www.aapt.org/programs/rupc.html). Meanwhile the UK's Higher Education Funding Council has proposed a two-pronged approach to the promotion of high quality teaching and learning, as well as widening participation in higher education from 1999-2000. A total of £60m should be available to support these initiatives by the year 2001-2002. As part of this scheme the Council will invite bids from institutions to support individual academics in enhancing learning and teaching, as well as in recognition of individual excellence. As with research grants, such awards would enable staff to pursue activities such as the development of teaching materials

  19. Methods of bone marrow dose calculation

    International Nuclear Information System (INIS)

    Taboaco, R.C.

    1982-02-01

    Several methods of bone marrow dose calculation for photon irradiation were analised. After a critical analysis, the author proposes the adoption, by the Instituto de Radioprotecao e Dosimetria/CNEN, of Rosenstein's method for dose calculations in Radiodiagnostic examinations and Kramer's method in case of occupational irradiation. It was verified by Eckerman and Simpson that for monoenergetic gamma emitters uniformly distributed within the bone mineral of the skeleton the dose in the bone surface can be several times higher than dose in skeleton. In this way, is also proposed the Calculation of tissue-air ratios for bone surfaces in some irradiation geometries and photon energies to be included in the Rosenstein's method for organ dose calculation in Radiodiagnostic examinations. (Author) [pt

  20. 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...

  1. Spiky higher genus strings

    International Nuclear Information System (INIS)

    Ambjoern, J.; Bellini, A.; Johnston, D.

    1990-10-01

    It is clear from both the non-perturbative and perturbative approaches to two-dimensional quantum gravity that a new strong coupling regime is setting in at d=1, independent of the genus of the worldsheet being considered. It has been suggested that a Kosterlitz-Thouless (KT) phase transition in the Liouville theory is the cause of this behaviour. However, it has recently been pointed out that the XY model, which displays a KT transition on the plane and the sphere, is always in the strong coupling, disordered phase on a surface of constant negative curvature. A higher genus worldsheet can be represented as a fundamental region on just such a surface, which might seem to suggest that the KT picture predicts a strong coupling region for arbitrary d, contradicting the known results. We resolve the apparent paradox. (orig.)

  2. Exact-exchange-based quasiparticle calculations

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  3. Correlations between corneal and total wavefront aberrations

    Science.gov (United States)

    Mrochen, Michael; Jankov, Mirko; Bueeler, Michael; Seiler, Theo

    2002-06-01

    Purpose: Corneal topography data expressed as corneal aberrations are frequently used to report corneal laser surgery results. However, the optical image quality at the retina depends on all optical elements of the eye such as the human lens. Thus, the aim of this study was to investigate the correlations between the corneal and total wavefront aberrations and to discuss the importance of corneal aberrations for representing corneal laser surgery results. Methods: Thirty three eyes of 22 myopic subjects were measured with a corneal topography system and a Tschernig-type wavefront analyzer after the pupils were dilated to at least 6 mm in diameter. All measurements were centered with respect to the line of sight. Corneal and total wavefront aberrations were calculated up to the 6th Zernike order in the same reference plane. Results: Statistically significant correlations (p the corneal and total wavefront aberrations were found for the astigmatism (C3,C5) and all 3rd Zernike order coefficients such as coma (C7,C8). No statistically significant correlations were found for all 4th to 6th order Zernike coefficients except for the 5th order horizontal coma C18 (p equals 0.003). On average, all Zernike coefficients for the corneal aberrations were found to be larger compared to Zernike coefficients for the total wavefront aberrations. Conclusions: Corneal aberrations are only of limited use for representing the optical quality of the human eye after corneal laser surgery. This is due to the lack of correlation between corneal and total wavefront aberrations in most of the higher order aberrations. Besides this, the data present in this study yield towards an aberration balancing between corneal aberrations and the optical elements within the eye that reduces the aberration from the cornea by a certain degree. Consequently, ideal customized ablations have to take both, corneal and total wavefront aberrations, into consideration.

  4. Experimental Young's modulus calculations

    International Nuclear Information System (INIS)

    Chen, Y.; Jayakumar, R.; Yu, K.

    1994-01-01

    Coil is a very important magnet component. The turn location and the coil size impact both mechanical and magnetic behavior of the magnet. The Young's modulus plays a significant role in determining the coil location and size. Therefore, Young's modulus study is essential in predicting both the analytical and practical magnet behavior. To determine the coil Young's modulus, an experiment has been conducted to measure azimuthal sizes of a half quadrant QSE101 inner coil under different loading. All measurements are made at four different positions along an 8-inch long inner coil. Each measurement is repeated three times to determine the reproducibility of the experiment. To ensure the reliability of this experiment, the same measurement is performed twice with a open-quotes dummy coil,close quotes which is made of G10 and has the same dimension and similar azimuthal Young's modulus as the inner coil. The difference between the G10 azimuthal Young's modulus calculated from the experiments and its known value from the manufacturer will be compared. Much effort has been extended in analyzing the experimental data to obtain a more reliable Young's modulus. Analysis methods include the error analysis method and the least square method

  5. Relativistic few body calculations

    International Nuclear Information System (INIS)

    Gross, F.

    1988-01-01

    A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40 Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs

  6. Equilibrium calculations, ch. 6

    International Nuclear Information System (INIS)

    Deursen, A.P.J. van

    1976-01-01

    A calculation is presented of dimer intensities obtained in supersonic expansions. There are two possible limiting considerations; the dimers observed are already present in the source, in thermodynamic equilibrium, and are accelerated in the expansion. Destruction during acceleration is neglected, as are processes leading to newly formed dimers. On the other hand one can apply a kinetic approach, where formation and destruction processes are followed throughout the expansion. The difficulty of this approach stems from the fact that the density, temperature and rate constants have to be known at all distances from the nozzle. The simple point of view has been adopted and the measured dimer intensities are compared with the equilibrium concentration in the source. The comparison is performed under the assumption that the detection efficiency for dimers is twice the detection efficiency for monomers. The experimental evidence against the simple point of view that the dimers of the onset region are formed in the source already, under equilibrium conditions, is discussed. (Auth.)

  7. Configuration space Faddeev calculations

    International Nuclear Information System (INIS)

    Payne, G.L.; Klink, W.H.; Ployzou, W.N.

    1991-01-01

    The detailed study of few-body systems provides one of the most precise tools for studying the dynamics of nuclei. Our research program consists of a careful theoretical study of the nuclear few-body systems. During the past year we have completed several aspects of this program. We have continued our program of using the trinucleon system to investigate the validity of various realistic nucleon-nucleon potentials. Also, the effects of meson-exchange currents in nuclear systems have been studied. Initial calculations using the configuration-space Faddeev equations for nucleon-deuteron scattering have been completed. With modifications to treat relativistic systems, few-body methods can be applied to phenomena that are sensitive to the structure of the individual hadrons. We have completed a review of Relativistic Hamiltonian Dynamics in Nuclear and Particle Physics for Advances in Nuclear Physics. Although it is called a review, it is a large document that contains a significant amount of new research

  8. Noise in position measurement by centroid calculation

    International Nuclear Information System (INIS)

    Volkov, P.

    1996-01-01

    The position of a particle trajectory in a gaseous (or semiconductor) detector can be measured by calculating the centroid of the induced charge on the cathode plane. The charge amplifiers attached to each cathode strip introduce noise which is added to the signal. This noise broadens the position resolution line. Our article gives an analytical tool to estimate the resolution broadening due to the noise per strip and the number of strips involved in the centroid calculation. It is shown that the position resolution increases faster than the square root of the number of strips involved. We also consider the consequence of added interstrip capacitors, intended to diminish the differential nonlinearity. It is shown that the position error increases slower than linearly with the interstrip capacities, due to the cancellation of correlated noise. The estimation we give, can be applied to calculations of position broadening other than the centroid finding. (orig.)

  9. Numericware i: Identical by State Matrix Calculator

    Directory of Open Access Journals (Sweden)

    Bongsong Kim

    2017-02-01

    Full Text Available We introduce software, Numericware i, to compute identical by state (IBS matrix based on genotypic data. Calculating an IBS matrix with a large dataset requires large computer memory and takes lengthy processing time. Numericware i addresses these challenges with 2 algorithmic methods: multithreading and forward chopping. The multithreading allows computational routines to concurrently run on multiple central processing unit (CPU processors. The forward chopping addresses memory limitation by dividing a dataset into appropriately sized subsets. Numericware i allows calculation of the IBS matrix for a large genotypic dataset using a laptop or a desktop computer. For comparison with different software, we calculated genetic relationship matrices using Numericware i, SPAGeDi, and TASSEL with the same genotypic dataset. Numericware i calculates IBS coefficients between 0 and 2, whereas SPAGeDi and TASSEL produce different ranges of values including negative values. The Pearson correlation coefficient between the matrices from Numericware i and TASSEL was high at .9972, whereas SPAGeDi showed low correlation with Numericware i (.0505 and TASSEL (.0587. With a high-dimensional dataset of 500 entities by 10 000 000 SNPs, Numericware i spent 382 minutes using 19 CPU threads and 64 GB memory by dividing the dataset into 3 pieces, whereas SPAGeDi and TASSEL failed with the same dataset. Numericware i is freely available for Windows and Linux under CC-BY 4.0 license at https://figshare.com/s/f100f33a8857131eb2db .

  10. Improvements in EBR-2 core depletion calculations

    International Nuclear Information System (INIS)

    Finck, P.J.; Hill, R.N.; Sakamoto, S.

    1991-01-01

    The need for accurate core depletion calculations in Experimental Breeder Reactor No. 2 (EBR-2) is discussed. Because of the unique physics characteristics of EBR-2, it is difficult to obtain accurate and computationally efficient multigroup flux predictions. This paper describes the effect of various conventional and higher order schemes for group constant generation and for flux computations; results indicate that higher-order methods are required, particularly in the outer regions (i.e. the radial blanket). A methodology based on Nodal Equivalence Theory (N.E.T.) is developed which allows retention of the accuracy of a higher order solution with the computational efficiency of a few group nodal diffusion solution. The application of this methodology to three-dimensional EBR-2 flux predictions is demonstrated; this improved methodology allows accurate core depletion calculations at reasonable cost. 13 refs., 4 figs., 3 tabs

  11. BMN correlators by loop equations

    International Nuclear Information System (INIS)

    Eynard, Bertrand; Kristjansen, Charlotte

    2002-01-01

    In the BMN approach to N=4 SYM a large class of correlators of interest are expressible in terms of expectation values of traces of words in a zero-dimensional gaussian complex matrix model. We develop a loop-equation based, analytic strategy for evaluating such expectation values to any order in the genus expansion. We reproduce the expectation values which were needed for the calculation of the one-loop, genus one correction to the anomalous dimension of BMN-operators and which were earlier obtained by combinatorial means. Furthermore, we present the expectation values needed for the calculation of the one-loop, genus two correction. (author)

  12. Assessing the reliability of calculated catalytic ammonia synthesis rates

    DEFF Research Database (Denmark)

    Medford, Andrew James; Wellendorff, Jess; Vojvodic, Aleksandra

    2014-01-01

    We introduce a general method for estimating the uncertainty in calculated materials properties based on density functional theory calculations. We illustrate the approach for a calculation of the catalytic rate of ammonia synthesis over a range of transition-metal catalysts. The correlation...... between errors in density functional theory calculations is shown to play an important role in reducing the predicted error on calculated rates. Uncertainties depend strongly on reaction conditions and catalyst material, and the relative rates between different catalysts are considerably better described...

  13. The isotope correlation experiment

    International Nuclear Information System (INIS)

    Koch, L.; Schoof, S.

    1983-01-01

    The ESARDA working group on Isotopic Correlation Techniques, ICT and Reprocessing Input Analysis performed an Isotope Correlation Experiment, ICE with the aim to check the feasibility of the new technique. Ten input batches of the reprocessing of the KWO fuel at the WAK plant were analysed by 4 laboratories. All information to compare ICT with the gravimetric and volumetric methods was available. ICT combined with simplified reactor physics calculation was included. The main objectives of the statistical data evaluation were detection of outliers, the estimation of random errors and of systematic errors of the measurements performed by the 4 laboratories. Different methods for outlier detection, analysis of variances, Grubbs' analysis for the constant-bias model and Jaech's non-constant-bias model were applied. Some of the results of the statistical analysis may seem inconsistent which is due to the following reasons. For the statistical evaluations isotope abundance data (weight percent) as well as nuclear concentration data (atoms/initial metal atoms) were subjected to different outlier criteria before being used for further statistical evaluations. None of the four data evaluation groups performed a complete statistical data analysis which would render possible a comparison of the different methods applied since no commonly agreed statistical evaluation procedure existed. The results prove that ICT is as accurate as conventional techniques which have to rely on costly mass spectrometric isotope dilution analysis. The potential of outlier detection by ICT on the basis of the results from a single laboratory is as good as outlier detection by costly interlaboratory comparison. The application of fission product or Cm-244 correlations would be more timely than remeasurements at safeguards laboratories

  14. The rating reliability calculator

    Directory of Open Access Journals (Sweden)

    Solomon David J

    2004-04-01

    Full Text Available Abstract Background Rating scales form an important means of gathering evaluation data. Since important decisions are often based on these evaluations, determining the reliability of rating data can be critical. Most commonly used methods of estimating reliability require a complete set of ratings i.e. every subject being rated must be rated by each judge. Over fifty years ago Ebel described an algorithm for estimating the reliability of ratings based on incomplete data. While his article has been widely cited over the years, software based on the algorithm is not readily available. This paper describes an easy-to-use Web-based utility for estimating the reliability of ratings based on incomplete data using Ebel's algorithm. Methods The program is available public use on our server and the source code is freely available under GNU General Public License. The utility is written in PHP, a common open source imbedded scripting language. The rating data can be entered in a convenient format on the user's personal computer that the program will upload to the server for calculating the reliability and other statistics describing the ratings. Results When the program is run it displays the reliability, number of subject rated, harmonic mean number of judges rating each subject, the mean and standard deviation of the averaged ratings per subject. The program also displays the mean, standard deviation and number of ratings for each subject rated. Additionally the program will estimate the reliability of an average of a number of ratings for each subject via the Spearman-Brown prophecy formula. Conclusion This simple web-based program provides a convenient means of estimating the reliability of rating data without the need to conduct special studies in order to provide complete rating data. I would welcome other researchers revising and enhancing the program.

  15. Molecular dynamics calculation of shear viscosity for molten salt

    International Nuclear Information System (INIS)

    Okamoto, Yoshihiro; Yokokawa, Mitsuo; Ogawa, Toru

    1993-12-01

    A computer program of molecular dynamics simulation has been made to calculate shear viscosity of molten salt. Correlation function for an off-diagonal component of stress tensor can be obtained as the results of calculation. Shear viscosity is calculated by integration of the correlation function based on the Kubo-type formula. Shear viscosities for a molten KCl ranging in temperature from 1047K to 1273K were calculated using the program. Calculation of 10 5 steps (1 step corresponds to 5 x 10 -15 s) was performed for each temperature in the 216 ions system. The obtained results were in good agreement with the reported experimental values. The program has been vectorized to achieve a faster computation in supercomputer. It makes possible to calculate the viscosity using a large number of statistics amounting to several million MD steps. (author)

  16. Learning higher mathematics

    CERN Document Server

    Pontrjagin, Lev Semenovič

    1984-01-01

    Lev Semenovic Pontrjagin (1908) is one of the outstanding figures in 20th century mathematics. In a long career he has made fundamental con­ tributions to many branches of mathematics, both pure and applied. He has received every honor that a grateful government can bestow. Though in no way constrained to do so, he has through the years taught mathematics courses at Moscow State University. In the year 1975 he set himself the task of writing a series of books on secondary school and beginning university mathematics. In his own words, "I wished to set forth the foundations of higher mathematics in a form that would have been accessible to myself as a lad, but making use of all my experience as a scientist and a teacher, ac­ cumulated over many years. " The present volume is a translation of the first two out of four moderately sized volumes on this theme planned by Pro­ fessor Pontrjagin. The book begins at the beginning of modern mathematics, analytic ge­ ometry in the plane and 3-dimensional space. Refin...

  17. MOx Depletion Calculation Benchmark

    International Nuclear Information System (INIS)

    San Felice, Laurence; Eschbach, Romain; Dewi Syarifah, Ratna; Maryam, Seif-Eddine; Hesketh, Kevin

    2016-01-01

    Under the auspices of the NEA Nuclear Science Committee (NSC), the Working Party on Scientific Issues of Reactor Systems (WPRS) has been established to study the reactor physics, fuel performance, radiation transport and shielding, and the uncertainties associated with modelling of these phenomena in present and future nuclear power systems. The WPRS has different expert groups to cover a wide range of scientific issues in these fields. The Expert Group on Reactor Physics and Advanced Nuclear Systems (EGRPANS) was created in 2011 to perform specific tasks associated with reactor physics aspects of present and future nuclear power systems. EGRPANS provides expert advice to the WPRS and the nuclear community on the development needs (data and methods, validation experiments, scenario studies) for different reactor systems and also provides specific technical information regarding: core reactivity characteristics, including fuel depletion effects; core power/flux distributions; Core dynamics and reactivity control. In 2013 EGRPANS published a report that investigated fuel depletion effects in a Pressurised Water Reactor (PWR). This was entitled 'International Comparison of a Depletion Calculation Benchmark on Fuel Cycle Issues' NEA/NSC/DOC(2013) that documented a benchmark exercise for UO 2 fuel rods. This report documents a complementary benchmark exercise that focused on PuO 2 /UO 2 Mixed Oxide (MOX) fuel rods. The results are especially relevant to the back-end of the fuel cycle, including irradiated fuel transport, reprocessing, interim storage and waste repository. Saint-Laurent B1 (SLB1) was the first French reactor to use MOx assemblies. SLB1 is a 900 MWe PWR, with 30% MOx fuel loading. The standard MOx assemblies, used in Saint-Laurent B1 reactor, include three zones with different plutonium enrichments, high Pu content (5.64%) in the center zone, medium Pu content (4.42%) in the intermediate zone and low Pu content (2.91%) in the peripheral zone

  18. Strongly correlating liquids and their isomorphs

    OpenAIRE

    Pedersen, Ulf R.; Gnan, Nicoletta; Bailey, Nicholas P.; Schröder, Thomas B.; Dyre, Jeppe C.

    2010-01-01

    This paper summarizes the properties of strongly correlating liquids, i.e., liquids with strong correlations between virial and potential energy equilibrium fluctuations at constant volume. We proceed to focus on the experimental predictions for strongly correlating glass-forming liquids. These predictions include i) density scaling, ii) isochronal superposition, iii) that there is a single function from which all frequency-dependent viscoelastic response functions may be calculated, iv) that...

  19. Color correlations in parton jet decay

    International Nuclear Information System (INIS)

    Levin, E.M.; Ryskin, M.G.

    1983-01-01

    The pre-confinement effect is discussed. Colour correlations are calculated for the decays of parton jets with account for the coherence of the gluon interaction. It is shown that, in contrast to the results of previous works, the colour correlations between two gluons with a high pair mass can be appreciable. In any kinematical interval, however, the energy carried away be the particles correlated in the colour is always much less than the total energy carried away by the partons

  20. Spatial correlations in compressible granular flows

    OpenAIRE

    Van Noije, T. P. C.; Ernst, M. H.; Brito López, Ricardo

    1998-01-01

    The clustering instability in freely evolving granular fluids manifests itself in the density-density correlation function and structure factor. These functions are calculated from fluctuating hydrodynamics. As time increases, the structure factor of density fluctuations develops a maximum, which shifts to smaller wave numbers (growing correlation length). Furthermore, the inclusion of longitudinal velocity fluctuations changes long-range correlations in the flow field qualitatively and exten...

  1. The calculation of the optical gap energy of ZnXO (X = Bi, Sn and Fe

    Directory of Open Access Journals (Sweden)

    Benramache Said

    2016-01-01

    Full Text Available In this paper, a new mathematical model has been developed to calculate the optical properties of nano materials a function of their size and structure. ZnO has good characterizatics in optical, electrical, and structural crystallisation; We will demonstrate that the direct optical gap energy of ZnO films grown by US and SP spray deposition can be calculated by investigating the correlation between solution molarity, doping levels of doped films and their Urbache energy. A simulation model has been developed to calculate the optical band gap energy of undoped and Bi, Sn and Fe doped ZnO thin films. The measurements by thus proposed models are in agreement with experimental data, with high correlation coefficients in the range 0.94-0.99. The maximum calculated enhancement of the optical gap energy of Sn doped ZnO thin films is always higher than the enhancement attainable with an Fe doped film, where the minimum error was found for Bi and Sn doped ZnO thin films to be 2,345 and 3,072%, respectively. The decrease in the relative errors from undoped to doped films can be explained by the good optical properties which can be observed in the fewer number of defects as well as less disorder.

  2. Local Descriptors of Dynamic and Nondynamic Correlation.

    Science.gov (United States)

    Ramos-Cordoba, Eloy; Matito, Eduard

    2017-06-13

    Quantitatively accurate electronic structure calculations rely on the proper description of electron correlation. A judicious choice of the approximate quantum chemistry method depends upon the importance of dynamic and nondynamic correlation, which is usually assesed by scalar measures. Existing measures of electron correlation do not consider separately the regions of the Cartesian space where dynamic or nondynamic correlation are most important. We introduce real-space descriptors of dynamic and nondynamic electron correlation that admit orbital decomposition. Integration of the local descriptors yields global numbers that can be used to quantify dynamic and nondynamic correlation. Illustrative examples over different chemical systems with varying electron correlation regimes are used to demonstrate the capabilities of the local descriptors. Since the expressions only require orbitals and occupation numbers, they can be readily applied in the context of local correlation methods, hybrid methods, density matrix functional theory, and fractional-occupancy density functional theory.

  3. Cluster model calculations of the solid state materials electron structure

    International Nuclear Information System (INIS)

    Pelikan, P.; Biskupic, S.; Banacky, P.; Zajac, A.; Svrcek, A.; Noga, J.

    1997-01-01

    Materials of the general composition ACuO 2 are the parent compounds of so called infinite layer superconductors. In the paper presented the electron structure of the compounds CaCuO 2 , SrCuO2, Ca 0.86 Sr 0.14 CuO2 and Ca 0.26 Sr 0.74 CuO 2 were calculated. The cluster models consisting of 192 atoms were computed using quasi relativistic version of semiempirical INDO method. The obtained results indicate the strong ionicity of Ca/Sr-O bonds and high covalency of Cu-bonds. The width of energy gap at the Fermi level increases as follows: Ca 0.26 Sr 0.74 CuO 2 0.86 Sr 0.14 CuO2 2 . This order correlates with the fact that materials of the composition Ca x Sr 1-x CuO 2 have have the high temperatures of the superconductive transition (up to 110 K). Materials partially substituted by Sr 2+ have also the higher density of states in the close vicinity at the Fermi level that ai the additional condition for the possibility of superconductive transition. It was calculated the strong influence of the vibration motions to the energy gap at the Fermi level. (authors). 1 tabs., 2 figs., 10 refs

  4. Higher Efficiency HVAC Motors

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, Charles Joseph [QM Power, Inc., Kansas City, MO (United States)

    2018-02-13

    failure prone capacitors from the power stage. Q-Sync’s simpler electronics also result in higher efficiency because it eliminates the power required by the PCB to perform the obviated power conversions and PWM processes after line synchronous operating speed is reached in the first 5 seconds of operation, after which the PWM circuits drop out and a much less energy intensive “pass through” circuit takes over, allowing the grid-supplied AC power to sustain the motor’s ongoing operation.

  5. Short-range correlations with pseudopotentials

    International Nuclear Information System (INIS)

    Osman, A.

    1976-01-01

    Short-range correlations in nuclei are considered on an unitary-model operator approach. Short-range pseudopotentials have been added to achieve healing in the correlated wave functions. With the introduction of the pseudopotentials, correlated basis wave functions are constructed. The matrix element for effective interaction in nuclei is developed. The required pseudopotentials have been calculated for the Hamda-Johnston, Yale and Reid potentials and for the nuclear nucleon-nucleon potential A calculated by us according to meson exchange between nucleons. (Osman, A.)

  6. ENRAF gauge reference level calculations

    Energy Technology Data Exchange (ETDEWEB)

    Huber, J.H., Fluor Daniel Hanford

    1997-02-06

    This document describes the method for calculating reference levels for Enraf Series 854 Level Detectors as installed in the tank farms. The reference level calculation for each installed level gauge is contained herein.

  7. Wind turbine sound pressure level calculations at dwellings.

    Science.gov (United States)

    Keith, Stephen E; Feder, Katya; Voicescu, Sonia A; Soukhovtsev, Victor; Denning, Allison; Tsang, Jason; Broner, Norm; Leroux, Tony; Richarz, Werner; van den Berg, Frits

    2016-03-01

    This paper provides calculations of outdoor sound pressure levels (SPLs) at dwellings for 10 wind turbine models, to support Health Canada's Community Noise and Health Study. Manufacturer supplied and measured wind turbine sound power levels were used to calculate outdoor SPL at 1238 dwellings using ISO [(1996). ISO 9613-2-Acoustics] and a Swedish noise propagation method. Both methods yielded statistically equivalent results. The A- and C-weighted results were highly correlated over the 1238 dwellings (Pearson's linear correlation coefficient r > 0.8). Calculated wind turbine SPLs were compared to ambient SPLs from other sources, estimated using guidance documents from the United States and Alberta, Canada.

  8. Correlation dimension of financial market

    Science.gov (United States)

    Nie, Chun-Xiao

    2017-05-01

    In this paper, correlation dimension is applied to financial data analysis. We calculate the correlation dimensions of some real market data and find that the dimensions are significantly smaller than those of the simulation data based on geometric Brownian motion. Based on the analysis of the Chinese and US stock market data, the main results are as follows. First, by calculating three data sets for the Chinese and US market, we find that large market volatility leads to a significant decrease in the dimensions. Second, based on 5-min stock price data, we find that the Chinese market dimension is significantly larger than the US market; this shows a significant difference between the two markets for high frequency data. Third, we randomly extract stocks from a stock set and calculate the correlation dimensions, and find that the average value of these dimensions is close to the dimension of the original set. In addition, we analyse the intuitional meaning of the relevant dimensions used in this paper, which are directly related to the average degree of the financial threshold network. The dimension measures the speed of the average degree that varies with the threshold value. A smaller dimension means that the rate of change is slower.

  9. HEU benchmark calculations and LEU preliminary calculations for IRR-1

    International Nuclear Information System (INIS)

    Caner, M.; Shapira, M.; Bettan, M.; Nagler, A.; Gilat, J.

    2004-01-01

    We performed neutronics calculations for the Soreq Research Reactor, IRR-1. The calculations were done for the purpose of upgrading and benchmarking our codes and methods. The codes used were mainly WIMS-D/4 for cell calculations and the three dimensional diffusion code CITATION for full core calculations. The experimental flux was obtained by gold wire activation methods and compared with our calculated flux profile. The IRR-1 is loaded with highly enriched uranium fuel assemblies, of the plate type. In the framework of preparation for conversion to low enrichment fuel, additional calculations were done assuming the presence of LEU fresh fuel. In these preliminary calculations we investigated the effect on the criticality and flux distributions of the increase of U-238 loading, and the corresponding uranium density.(author)

  10. Correlation of mesoscale wind speeds over the sea

    DEFF Research Database (Denmark)

    Mehrens, Anna R.; Hahmann, Andrea N.; Hahmann, Andrea N.

    2016-01-01

    A large offshore observational data set from stations across the North and Baltic Sea is used to investigate the planetary boundary layer wind characteristics and their coherence, correlation and power spectra. The data of thirteen sites, with pairs of sites at a horizontal distance of 4 to 848 km...... on measurements and the WRF-derived time series. By normalising the frequency axes with the distance and mean wind speed it can be demonstrated that even for data with a wide range of distances, the coherence is a function of the frequency, mean wind and distance, which is consistent with earlier studies....... The correlation coefficient as a function of the distance calculated from WRF is however higher than observed in the measurements. For the power spectra, wind speed and wind speed step changes distribution the results for all sites are quite similar. The land masses strongly influence the individual wind...

  11. Comparison of different source calculations in two-nucleon channel at large quark mass

    Science.gov (United States)

    Yamazaki, Takeshi; Ishikawa, Ken-ichi; Kuramashi, Yoshinobu

    2018-03-01

    We investigate a systematic error coming from higher excited state contributions in the energy shift of light nucleus in the two-nucleon channel by comparing two different source calculations with the exponential and wall sources. Since it is hard to obtain a clear signal of the wall source correlation function in a plateau region, we employ a large quark mass as the pion mass is 0.8 GeV in quenched QCD. We discuss the systematic error in the spin-triplet channel of the two-nucleon system, and the volume dependence of the energy shift.

  12. MCNP and OMEGA criticality calculations

    International Nuclear Information System (INIS)

    Seifert, E.

    1998-04-01

    The reliability of OMEGA criticality calculations is shown by a comparison with calculations by the validated and widely used Monte Carlo code MCNP. The criticality of 16 assemblies with uranium as fissionable is calculated with the codes MCNP (Version 4A, ENDF/B-V cross sections), MCNP (Version 4B, ENDF/B-VI cross sections), and OMEGA. Identical calculation models are used for the three codes. The results are compared mutually and with the experimental criticality of the assemblies. (orig.)

  13. CALCULATION OF LASER CUTTING COSTS

    OpenAIRE

    Bogdan Nedic; Milan Eric; Marijana Aleksijevic

    2016-01-01

    The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, compar...

  14. Higher-twist effects in the B → π transition form factor from QCD light-cone sum rules

    Energy Technology Data Exchange (ETDEWEB)

    Khodjamirian, Alexander; Rusov, Aleksey [Universitaet Siegen (Germany). Fakultaet IV, Department Physik, Theoretische Physik 1 Walter-Flex-Strasse 3 57068 Siegen

    2016-07-01

    I report on the progress in calculating new higher-twist corrections to the QCD light-cone sum rule for the B → π transition form factor. First, the expansion of the massive heavy-quark propagator in the external gluonic field near the light-cone was extended to include new terms containing the gluon-field strength derivatives. The resulting analytical expressions for the twist-5 and twist-6 contributions to the correlation function were obtained in a factorized approximation, expressed via the product of the quark-condensate density and the lower-twist pion distribution amplitudes. The numerical analysis of new higher-twist effects is in progress.

  15. Selfconsistent calculations for hyperdeformed nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Molique, H.; Dobaczewski, J.; Dudek, J.; Luo, W.D. [Universite Louis Pasteur, Strasbourg (France)

    1996-12-31

    Properties of the hyperdeformed nuclei in the A {approximately} 170 mass range are re-examined using the self-consistent Hartree-Fock method with the SOP parametrization. A comparison with the previous predictions that were based on a non-selfconsistent approach is made. The existence of the {open_quotes}hyper-deformed shell closures{close_quotes} at the proton and neutron numbers Z=70 and N=100 and their very weak dependence on the rotational frequency is suggested; the corresponding single-particle energy gaps are predicted to play a role similar to that of the Z=66 and N=86 gaps in the super-deformed nuclei of the A {approximately} 150 mass range. Selfconsistent calculations suggest also that the A {approximately} 170 hyperdeformed structures have neglegible mass asymmetry in their shapes. Very importantly for the experimental studies, both the fission barriers and the {open_quotes}inner{close_quotes} barriers (that separate the hyperdeformed structures from those with smaller deformations) are predicted to be relatively high, up to the factor of {approximately}2 higher than the corresponding ones in the {sup 152}Dy superdeformed nucleus used as a reference.

  16. There Is Time for Calculation in Speed Chess, and Calculation Accuracy Increases With Expertise.

    Science.gov (United States)

    Chang, Yu-Hsuan A; Lane, David M

    2016-01-01

    The recognition-action theory of chess skill holds that expertise in chess is due primarily to the ability to recognize familiar patterns of pieces. Despite its widespread acclaim, empirical evidence for this theory is indirect. One source of indirect evidence is that there is a high correlation between speed chess and standard chess. Assuming that there is little or no time for calculation in speed chess, this high correlation implies that calculation is not the primary factor in standard chess. Two studies were conducted analyzing 100 games of speed chess. In Study 1, we examined the distributions of move times, and the key finding was that players often spent considerable time on a few moves. Moreover, stronger players were more likely than weaker players to do so. Study 2 examined skill differences in calculation by examining poor moves. The stronger players made proportionally fewer blunders (moves that a 2-ply search would have revealed to be errors). Overall, the poor moves made by the weaker players would have required a less extensive search to be revealed as poor moves than the poor moves made by the stronger players. Apparently, the stronger players are searching deeper and more accurately. These results are difficult to reconcile with the view that speed chess does not allow players time to calculate extensively and call into question the assertion that the high correlation between speed chess and standard chess supports recognition-action theory.

  17. Transient anisotropic magnetic field calculation

    International Nuclear Information System (INIS)

    Jesenik, Marko; Gorican, Viktor; Trlep, Mladen; Hamler, Anton; Stumberger, Bojan

    2006-01-01

    For anisotropic magnetic material, nonlinear magnetic characteristics of the material are described with magnetization curves for different magnetization directions. The paper presents transient finite element calculation of the magnetic field in the anisotropic magnetic material based on the measured magnetization curves for different magnetization directions. For the verification of the calculation method some results of the calculation are compared with the measurement

  18. Efficiency of individual dosage of digoxin with calculated concentration

    Directory of Open Access Journals (Sweden)

    Zhao L

    2014-07-01

    Full Text Available Li Zhao,1,* Peng Yang,2,* Pengmei Li,1 Xiaoxing Wang,1 Wangjun Qin,1 Xianglin Zhang1 1Department of Pharmacy, 2Department of Cardiology, China-Japan Friendship Hospital, Beijing, People’s Republic of China *These authors contributed equally to this work Background: Digoxin is a frequently prescribed drug, particularly in the elderly population, in which there is an increased prevalence of atrial fibrillation and cardiac failure. With its complex pharmacokinetic profile and narrow therapeutic index, use of digoxin requires regular monitoring of blood levels. Recent evidence suggests that a lower concentration range (0.4–1.0 ng/mL is preferable in patients with congestive heart failure and a higher range (0.8–2.0 ng/mL is needed in patients with atrial tachyarrhythmia. The Konishi equation is widely used to predict the serum digoxin concentration (SDC in Japan. This study assessed the correlation between SDC predicted by the Konishi equation and that actually measured in Chinese patients and investigated the impact of renal function on SDC. Methods: The study subjects comprised 72 patients with cardiac failure or/and atrial tachyarrhythmia seen at our hospital from January 2012 to December 2013. The patients were divided into five groups according to Kidney Diseases Outcome Quality Initiative guidelines. SDCs were measured using the Abbott Architect i1000 immunology analyzer. The correlations between measured SDCs and calculated SDCs and between clearance of digoxin and creatinine clearance rate were assessed retrospectively.Results: The correlation between measured and predicted SDC calculated by the Konishi equation was significant (r=0.655, P<0.001 for the 72 patients overall; however, correlations within the different stages of renal function were nonsignificant, with a correlation found only in patients with stage 3 (30 mL per minute < creatinine clearance <60 mL per minute. With regard to the correlation between clearance of

  19. Nusselt number correlations for microchannel hot water supplier with S-shaped fins

    International Nuclear Information System (INIS)

    Tsuzuki, Nobuyoshi; Utamura, Motoaki

    2008-01-01

    Nusselt number correlations for microchannel heat exchanger (MCHE) with S-shaped fins are obtained by numerical experiments using 3D-CFD code and validated by experiments. Refrigerant considered here is carbon dioxide in supercritical state and assumes to operate around the pseudo-critical point. The fluid inlet temperature is defined as 2degC lower or higher than wall temperature for cold or hot side simulations, respectively. The small temperature difference is useful in reducing data because thermal-hydraulic properties can be assumed as constant for the fluid which experiences radical property change along the flow passage of the heat exchanger, e.g. when the fluid passes near pseudo-critical point. Calculations with 20 different temperature points in total are executed and those results are gathered into Nusselt number correlations for each side. The geometry size is almost 0.42% of the whole heat exchanger size. Method to calculate heat transfer performance from the correlations is also found. The heat transfer performance obtained from the correlations is compared with that of another numerical result which is reduced from large geometry and integration. They agree within 3% error and the accuracy of calculation method is confirmed. Experimental results with MCHE also verify the correlations. (author)

  20. Invariant functionals in higher-spin theory

    Directory of Open Access Journals (Sweden)

    M.A. Vasiliev

    2017-03-01

    Full Text Available A new construction for gauge invariant functionals in the nonlinear higher-spin theory is proposed. Being supported by differential forms closed by virtue of the higher-spin equations, invariant functionals are associated with central elements of the higher-spin algebra. In the on-shell AdS4 higher-spin theory we identify a four-form conjectured to represent the generating functional for 3d boundary correlators and a two-form argued to support charges for black hole solutions. Two actions for 3d boundary conformal higher-spin theory are associated with the two parity-invariant higher-spin models in AdS4. The peculiarity of the spinorial formulation of the on-shell AdS3 higher-spin theory, where the invariant functional is supported by a two-form, is conjectured to be related to the holomorphic factorization at the boundary. The nonlinear part of the star-product function F⁎(B(x in the higher-spin equations is argued to lead to divergencies in the boundary limit representing singularities at coinciding boundary space–time points of the factors of B(x, which can be regularized by the point splitting. An interpretation of the RG flow in terms of proposed construction is briefly discussed.

  1. A Novel Hybrid Similarity Calculation Model

    Directory of Open Access Journals (Sweden)

    Xiaoping Fan

    2017-01-01

    Full Text Available This paper addresses the problems of similarity calculation in the traditional recommendation algorithms of nearest neighbor collaborative filtering, especially the failure in describing dynamic user preference. Proceeding from the perspective of solving the problem of user interest drift, a new hybrid similarity calculation model is proposed in this paper. This model consists of two parts, on the one hand the model uses the function fitting to describe users’ rating behaviors and their rating preferences, and on the other hand it employs the Random Forest algorithm to take user attribute features into account. Furthermore, the paper combines the two parts to build a new hybrid similarity calculation model for user recommendation. Experimental results show that, for data sets of different size, the model’s prediction precision is higher than the traditional recommendation algorithms.

  2. The Generalized Higher Criticism for Testing SNP-Set Effects in Genetic Association Studies

    Science.gov (United States)

    Barnett, Ian; Mukherjee, Rajarshi; Lin, Xihong

    2017-01-01

    It is of substantial interest to study the effects of genes, genetic pathways, and networks on the risk of complex diseases. These genetic constructs each contain multiple SNPs, which are often correlated and function jointly, and might be large in number. However, only a sparse subset of SNPs in a genetic construct is generally associated with the disease of interest. In this article, we propose the generalized higher criticism (GHC) to test for the association between an SNP set and a disease outcome. The higher criticism is a test traditionally used in high-dimensional signal detection settings when marginal test statistics are independent and the number of parameters is very large. However, these assumptions do not always hold in genetic association studies, due to linkage disequilibrium among SNPs and the finite number of SNPs in an SNP set in each genetic construct. The proposed GHC overcomes the limitations of the higher criticism by allowing for arbitrary correlation structures among the SNPs in an SNP-set, while performing accurate analytic p-value calculations for any finite number of SNPs in the SNP-set. We obtain the detection boundary of the GHC test. We compared empirically using simulations the power of the GHC method with existing SNP-set tests over a range of genetic regions with varied correlation structures and signal sparsity. We apply the proposed methods to analyze the CGEM breast cancer genome-wide association study. Supplementary materials for this article are available online. PMID:28736464

  3. Errors in the calculation of sub-soil moisture probe by equivalent moisture content technique

    International Nuclear Information System (INIS)

    Lakshmipathy, A.V.; Gangadharan, P.

    1982-01-01

    The size of the soil sample required to obtain the saturation response, with a neutron moisture probe is quite large and this poses practical problems of handling and mixing large amounts of samples for absolute laboratory calibration. Hydrogenous materials are used as a substitute for water in the equivalent moisture content technique, for calibration of soil moisture probes. In this it is assumed that only hydrogen of the bulk sample is responsible for the slowing down of fast neutrons and the slow neutron countrate is correlated to equivalent water content by considering the hydrogen density of sample. It is observed that the higher atomic number elements present in water equivalent media also affect the response of the soil moisture probe. Hence calculations, as well as experiments, were undertaken to know the order of error introduced by this technique. The thermal and slow neutron flux distribution around the BF 3 counter of a sub-soil moisture probe is calculated using three group diffusion theory. The response of the probe corresponding to different equivalent moisture content of hydrogenous media, is calculated taking into consideration the effective length of BF 3 counter. Soil with hydrogenous media such as polyethylene, sugar and water are considered for calculation, to verify the suitability of these materials as substitute for water during calibration of soil moisture probe. Experiments were conducted, to verify the theoretically calculated values. (author)

  4. Correlation of EEG with neuropsychological status in children with epilepsy.

    Science.gov (United States)

    Hsu, David A; Rayer, Katherine; Jackson, Daren C; Stafstrom, Carl E; Hsu, Murielle; Ferrazzano, Peter A; Dabbs, Kevin; Worrell, Gregory A; Jones, Jana E; Hermann, Bruce P

    2016-02-01

    To determine correlations of the EEG frequency spectrum with neuropsychological status in children with idiopathic epilepsy. Forty-six children ages 8-18 years old with idiopathic epilepsy were retrospectively identified and analyzed for correlations between EEG spectra and neuropsychological status using multivariate linear regression. In addition, the theta/beta ratio, which has been suggested as a clinically useful EEG marker of attention-deficit hyperactivity disorder (ADHD), and an EEG spike count were calculated for each subject. Neuropsychological status was highly correlated with posterior alpha (8-15 Hz) EEG activity in a complex way, with both positive and negative correlations at lower and higher alpha frequency sub-bands for each cognitive task in a pattern that depends on the specific cognitive task. In addition, the theta/beta ratio was a specific but insensitive indicator of ADHD status in children with epilepsy; most children both with and without epilepsy have normal theta/beta ratios. The spike count showed no correlations with neuropsychological status. (1) The alpha rhythm may have at least two sub-bands which serve different purposes. (2) The theta/beta ratio is not a sensitive indicator of ADHD status in children with epilepsy. (3) The EEG frequency spectrum correlates more robustly with neuropsychological status than spike count analysis in children with idiopathic epilepsy. (1) The role of posterior alpha rhythms in cognition is complex and can be overlooked if EEG spectral resolution is too coarse or if neuropsychological status is assessed too narrowly. (2) ADHD in children with idiopathic epilepsy may involve different mechanisms from those in children without epilepsy. (3) Reliable correlations with neuropsychological status require longer EEG samples when using spike count analysis than when using frequency spectra. Copyright © 2015 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights

  5. Sensitivity and uncertainty analysis for fission product decay heat calculations

    International Nuclear Information System (INIS)

    Rebah, J.; Lee, Y.K.; Nimal, J.C.; Nimal, B.; Luneville, L.; Duchemin, B.

    1994-01-01

    The calculated uncertainty in decay heat due to the uncertainty in basic nuclear data given in the CEA86 Library, is presented. Uncertainties in summation calculation arise from several sources: fission product yields, half-lives and average decay energies. The correlation between basic data is taken into account. The uncertainty analysis were obtained for thermal-neutron-induced fission of U235 and Pu239 in the case of burst fission and irradiation time. The calculated decay heat in this study is compared with experimental results and with new calculation using the JEF2 Library. (from authors) 6 figs., 19 refs

  6. Response of spiking neurons to correlated inputs

    International Nuclear Information System (INIS)

    Moreno, Ruben; Rocha, Jaime de la; Renart, Alfonso; Parga, Nestor

    2002-01-01

    The effect of a temporally correlated afferent current on the firing rate of a leaky integrate-and-fire neuron is studied. This current is characterized in terms of rates, autocorrelations, and cross correlations, and correlation time scale τ c of excitatory and inhibitory inputs. The output rate ν out is calculated in the Fokker-Planck formalism in the limit of both small and large τ c compared to the membrane time constant τ of the neuron. By simulations we check the analytical results, provide an interpolation valid for all τ c , and study the neuron's response to rapid changes in the correlation magnitude

  7. Study of higher order cumulant expansion of U(1) lattice gauge model at finite temperature

    International Nuclear Information System (INIS)

    Zheng Xite; Lei Chunhong; Li Yuliang; Chen Hong

    1993-01-01

    The order parameter, Polyakov line , of the U(1) gauge model on N σ 3 x N τ (N τ = 1) lattice by using the cumulant expansion is calculated to the 5-th order. The emphasis is put on the behaviour of the cumulant expansion in the intermediate coupling region. The necessity of higher order expansion is clarified from the connection between the cumulant expansion and the correlation length. The variational parameter in the n-th order calculation is determined by the requirement that corrections of the n-th order expansion to the zeroth order expansion finish. The agreement with the Monte Carlo simulation is obtained not only in the weak and strong coupling regions, but also in the intermediate coupling region except in the very vicinity of the phase transition point

  8. Quantum mechanical calculations to chemical accuracy

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

    1991-01-01

    The accuracy of current molecular-structure calculations is illustrated with examples of quantum mechanical solutions for chemical problems. Two approaches are considered: (1) the coupled-cluster singles and doubles (CCSD) with a perturbational estimate of the contribution of connected triple excitations, or CCDS(T); and (2) the multireference configuration-interaction (MRCI) approach to the correlation problem. The MRCI approach gains greater applicability by means of size-extensive modifications such as the averaged-coupled pair functional approach. The examples of solutions to chemical problems include those for C-H bond energies, the vibrational frequencies of O3, identifying the ground state of Al2 and Si2, and the Lewis-Rayleigh afterglow and the Hermann IR system of N2. Accurate molecular-wave functions can be derived from a combination of basis-set saturation studies and full configuration-interaction calculations.

  9. Invert Effective Thermal Conductivity Calculation

    International Nuclear Information System (INIS)

    M.J. Anderson; H.M. Wade; T.L. Mitchell

    2000-01-01

    The objective of this calculation is to evaluate the temperature-dependent effective thermal conductivities of a repository-emplaced invert steel set and surrounding ballast material. The scope of this calculation analyzes a ballast-material thermal conductivity range of 0.10 to 0.70 W/m · K, a transverse beam spacing range of 0.75 to 1.50 meters, and beam compositions of A 516 carbon steel and plain carbon steel. Results from this calculation are intended to support calculations that identify waste package and repository thermal characteristics for Site Recommendation (SR). This calculation was developed by Waste Package Department (WPD) under Office of Civilian Radioactive Waste Management (OCRWM) procedure AP-3.12Q, Revision 1, ICN 0, Calculations

  10. Global nuclear-structure calculations

    International Nuclear Information System (INIS)

    Moeller, P.; Nix, J.R.

    1990-01-01

    The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to ε 2 and ε 4 used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and Β-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential

  11. On the relativistic calculation of spontaneous emission

    International Nuclear Information System (INIS)

    Boudet, R.

    1993-01-01

    In a recent work, Barut and Salamin (1988) have derived a method for calculating the relativistic decay rates in atoms, in a formulation of quantum electrodynamics based upon the electron's self-energy. The decay rate appears as the imaginary part of a formula giving a complex energy shift, the real part of the formula being the Lamb shift. The presence of the the decay rate in the imaginary part of a formula, giving an energy in its real part, may appear a bit strange. A confirmation of the Barut and Alamin calculation, by means of a quite different point of view, would be useful. Therefore in this work the Einstein A coefficients are calculated, in all cases of degeneracies of the Dirac transition currents, by means of the energy balance method. This point of view is based on the balance between the energy released during the transitions of electrons from a higher state to a lower one, and the flux of the Poynting vector of the classical electromagnetic field, created by the electrons, through a sphere a large radius. The particularity of the present work lies in the direct calculation of the relativistic Dirac transition currents and the fact that the dipole and Pauli approximations are avoided. The quantum part of the relativistic calculation is based on the determination of the transition charge currents in the Darwin solutions of the Dirac equation. 13 refs

  12. On the Higher Moments of Particle Multiplicity, Chemical Freeze-Out, and QCD Critical Endpoint

    Directory of Open Access Journals (Sweden)

    A. Tawfik

    2013-01-01

    Full Text Available We calculate the first six nonnormalized moments of particle multiplicity within the framework of the hadron resonance gas model. In terms of the lower order moments and corresponding correlation functions, general expressions of higher order moments are derived. Thermal evolution of the first four normalized moments and their products (ratios are studied at different chemical potentials, so that it is possible to evaluate them at chemical freeze-out curve. It is found that a nonmonotonic behaviour reflecting the dynamical fluctuation and strong correlation of particles starts to appear from the normalized third order moment. We introduce novel conditions for describing the chemical freeze-out curve. Although the hadron resonance gas model does not contain any information on the criticality related to the chiral dynamics and singularity in the physical observables, we are able to find out the location of the QCD critical endpoint at μ ~ 350  MeV and temperature T ~ 162  MeV.

  13. Method for estimating effects of unknown correlations in spectral irradiance data on uncertainties of spectrally integrated colorimetric quantities

    Science.gov (United States)

    Kärhä, Petri; Vaskuri, Anna; Mäntynen, Henrik; Mikkonen, Nikke; Ikonen, Erkki

    2017-08-01

    Spectral irradiance data are often used to calculate colorimetric properties, such as color coordinates and color temperatures of light sources by integration. The spectral data may contain unknown correlations that should be accounted for in the uncertainty estimation. We propose a new method for estimating uncertainties in such cases. The method goes through all possible scenarios of deviations using Monte Carlo analysis. Varying spectral error functions are produced by combining spectral base functions, and the distorted spectra are used to calculate the colorimetric quantities. Standard deviations of the colorimetric quantities at different scenarios give uncertainties assuming no correlations, uncertainties assuming full correlation, and uncertainties for an unfavorable case of unknown correlations, which turn out to be a significant source of uncertainty. With 1% standard uncertainty in spectral irradiance, the expanded uncertainty of the correlated color temperature of a source corresponding to the CIE Standard Illuminant A may reach as high as 37.2 K in unfavorable conditions, when calculations assuming full correlation give zero uncertainty, and calculations assuming no correlations yield the expanded uncertainties of 5.6 K and 12.1 K, with wavelength steps of 1 nm and 5 nm used in spectral integrations, respectively. We also show that there is an absolute limit of 60.2 K in the error of the correlated color temperature for Standard Illuminant A when assuming 1% standard uncertainty in the spectral irradiance. A comparison of our uncorrelated uncertainties with those obtained using analytical methods by other research groups shows good agreement. We re-estimated the uncertainties for the colorimetric properties of our 1 kW photometric standard lamps using the new method. The revised uncertainty of color temperature is a factor of 2.5 higher than the uncertainty assuming no correlations.

  14. Correlated ion stopping in plasmas

    International Nuclear Information System (INIS)

    Zwicknagel, G.; Deutsch, C.

    1997-01-01

    The basic features of correlated ion stopping in plasmas are demonstrated by employing two opposite extremes of cluster structures, a statistical model with a spatial ion distribution of Gaussian shape and the highly regular configuration of N-ion chains and cubic boxes. In the case of the ion chains the resonant character of correlated stopping due to the interference of the excited wake fields is discussed in detail. The general behavior of correlation effects is summarized and its dependence on the ratio of cluster size and interion spacing to the screening length in the plasma, as well as the ratio of the cluster velocity to the mean electron velocity in the target, is stressed out. The validity and applicability of the dielectric response formalism used for describing correlated stopping is critically reviewed. A scheme is presented to extend the linear formalism to weak nonlinear situations that occur, in particular, for small highly charged clusters at moderate or low velocities. For the Gaussian cluster a fit formula is given, which allows a fast and accurate calculation of the enhancement of stopping due to correlation effects and applies for all degrees of degeneracy of the electrons and arbitrary cluster velocities. copyright 1997 The American Physical Society

  15. Library correlation nuclide identification algorithm

    International Nuclear Information System (INIS)

    Russ, William R.

    2007-01-01

    A novel nuclide identification algorithm, Library Correlation Nuclide Identification (LibCorNID), is proposed. In addition to the spectrum, LibCorNID requires the standard energy, peak shape and peak efficiency calibrations. Input parameters include tolerances for some expected variations in the calibrations, a minimum relative nuclide peak area threshold, and a correlation threshold. Initially, the measured peak spectrum is obtained as the residual after baseline estimation via peak erosion, removing the continuum. Library nuclides are filtered by examining the possible nuclide peak areas in terms of the measured peak spectrum and applying the specified relative area threshold. Remaining candidates are used to create a set of theoretical peak spectra based on the calibrations and library entries. These candidate spectra are then simultaneously fit to the measured peak spectrum while also optimizing the calibrations within the bounds of the specified tolerances. Each candidate with optimized area still exceeding the area threshold undergoes a correlation test. The normalized Pearson's correlation value is calculated as a comparison of the optimized nuclide peak spectrum to the measured peak spectrum with the other optimized peak spectra subtracted. Those candidates with correlation values that exceed the specified threshold are identified and their optimized activities are output. An evaluation of LibCorNID was conducted to verify identification performance in terms of detection probability and false alarm rate. LibCorNID has been shown to perform well compared to standard peak-based analyses

  16. Engineering Judgment and Natural Circulation Calculations

    International Nuclear Information System (INIS)

    Ferreri, J.C.; Ferreri, J.C.

    2011-01-01

    The analysis performed to establish the validity of computer code results in the particular field of natural circulation flow stability calculations is presented in the light of usual engineering practice. The effects of discretization and closure correlations are discussed and some hints to avoid undesired mistakes in the evaluations performed are given. Additionally, the results are presented for an experiment relevant to the way in which a (small) number of skilled, nuclear safety analysts and researchers react when facing the solution of a natural circulation problem. These results may be also framed in the concept of Engineering Judgment and are potentially useful for Knowledge Management activities.

  17. Calculated Bulk Properties of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...

  18. CALCULATION OF LASER CUTTING COSTS

    Directory of Open Access Journals (Sweden)

    Bogdan Nedic

    2016-09-01

    Full Text Available The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, comparison' of costs made by other unconventional methods and provides documentation that consists of reports on estimated costs.

  19. Measurement of charm and beauty photoproduction at HERA using Dμ correlations

    Science.gov (United States)

    H1 Collaboration; Aktas, A.; Andreev, V.; Anthonis, T.; Aplin, S.; Asmone, A.; Astvatsatourov, A.; Babaev, A.; Backovic, S.; Bähr, J.; Baghdasaryan, A.; Baranov, P.; Barrelet, E.; Bartel, W.; Baudrand, S.; Baumgartner, S.; Becker, J.; Beckingham, M.; Behnke, O.; Behrendt, O.; Belousov, A.; Berger, Ch.; Berger, N.; Bizot, J. C.; Boenig, M.-O.; Boudry, V.; Bracinik, J.; Brandt, G.; Brisson, V.; Brown, D. P.; Bruncko, D.; Büsser, F. W.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A. J.; Caron, S.; Cassol-Brunner, F.; Cerny, K.; Cerny, V.; Chekelian, V.; Contreras, J. G.; Coughlan, J. A.; Cox, B. E.; Cozzika, G.; Cvach, J.; Dainton, J. B.; Dau, W. D.; Daum, K.; Delcourt, B.; Demirchyan, R.; de Roeck, A.; Desch, K.; de Wolf, E. A.; Diaconu, C.; Dodonov, V.; Dubak, A.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Ellerbrock, M.; Elsen, E.; Erdmann, W.; Essenov, S.; Falkewicz, A.; Faulkner, P. J. W.; Favart, L.; Fedotov, A.; Felst, R.; Ferencei, J.; Finke, L.; Fleischer, M.; Fleischmann, P.; Fleming, Y. H.; Flucke, G.; Fomenko, A.; Foresti, I.; Formánek, J.; Franke, G.; Frising, G.; Frisson, T.; Gabathuler, E.; Garutti, E.; Gayler, J.; Gerhards, R.; Gerlich, C.; Ghazaryan, S.; Ginzburgskaya, S.; Glazov, A.; Glushkov, I.; Goerlich, L.; Goettlich, M.; Gogitidze, N.; Gorbounov, S.; Goyon, C.; Grab, C.; Greenshaw, T.; Gregori, M.; Grindhammer, G.; Gwilliam, C.; Haidt, D.; Hajduk, L.; Haller, J.; Hansson, M.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Henshaw, O.; Herrera, G.; Hildebrandt, M.; Hiller, K. H.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Ibbotson, M.; Ismail, M.; Jacquet, M.; Janauschek, L.; Janssen, X.; Jemanov, V.; Jönsson, L.; Johnson, D. P.; Jung, H.; Kapichine, M.; Karlsson, M.; Katzy, J.; Keller, N.; Kenyon, I. R.; Kiesling, C.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knies, G.; Knutsson, A.; Korbel, V.; Kostka, P.; Koutouev, R.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Krüger, K.; Kückens, J.; Landon, M. P. J.; Lange, W.; Laštovička, T.; Laycock, P.; Lebedev, A.; Leißner, B.; Lendermann, V.; Levonian, S.; Lindfeld, L.; Lipka, K.; List, B.; Lobodzinska, E.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lucaci-Timoce, A.-I.; Lueders, H.; Lüke, D.; Lux, T.; Lytkin, L.; Makankine, A.; Malden, N.; Malinovski, E.; Mangano, S.; Marage, P.; Marshall, R.; Martisikova, M.; Martyn, H.-U.; Maxfield, S. J.; Meer, D.; Mehta, A.; Meier, K.; Meyer, A. B.; Meyer, H.; Meyer, J.; Mikocki, S.; Milcewicz-Mika, I.; Milstead, D.; Mohamed, A.; Moreau, F.; Morozov, A.; Morris, J. V.; Mozer, M. U.; Müller, K.; Murín, P.; Nankov, K.; Naroska, B.; Naumann, J.; Naumann, Th.; Newman, P. R.; Niebuhr, C.; Nikiforov, A.; Nikitin, D.; Nowak, G.; Nozicka, M.; Oganezov, R.; Olivier, B.; Olsson, J. E.; Osman, S.; Ozerov, D.; Palichik, V.; Papadopoulou, T.; Pascaud, C.; Patel, G. D.; Peez, M.; Perez, E.; Perez-Astudillo, D.; Perieanu, A.; Petrukhin, A.; Pitzl, D.; Plačakytė, R.; Portheault, B.; Povh, B.; Prideaux, P.; Raicevic, N.; Reimer, P.; Rimmer, A.; Risler, C.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rurikova, Z.; Rusakov, S.; Salvaire, F.; Sankey, D. P. C.; Sauvan, E.; Schätzel, S.; Schilling, F.-P.; Schmidt, S.; Schmitt, S.; Schmitz, C.; Schoeffel, L.; Schöning, A.; Schröder, V.; Schultz-Coulon, H.-C.; Schwanenberger, C.; Sedlák, K.; Sefkow, F.; Sheviakov, I.; Shtarkov, L. N.; Sirois, Y.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, A.; Stella, B.; Stiewe, J.; Strauch, I.; Straumann, U.; Tchoulakov, V.; Thompson, G.; Thompson, P. D.; Tomasz, F.; Traynor, D.; Truöl, P.; Tsakov, I.; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Urban, M.; Usik, A.; Utkin, D.; Valkár, S.; Valkárová, A.; Vallée, C.; van Mechelen, P.; van Remortel, N.; Vargas Trevino, A.; Vazdik, Y.; Veelken, C.; Vest, A.; Vinokurova, S.; Volchinski, V.; Vujicic, B.; Wacker, K.; Wagner, J.; Weber, G.; Weber, R.; Wegener, D.; Werner, C.; Werner, N.; Wessels, M.; Wessling, B.; Wigmore, C.; Winter, G.-G.; Wissing, Ch.; Wolf, R.; Wünsch, E.; Xella, S.; Yan, W.; Yeganov, V.; Žáček, J.; Zálešák, J.; Zhang, Z.; Zhelezov, A.; Zhokin, A.; Zimmermann, J.; Zohrabyan, H.; Zomer, F.

    2005-08-01

    A measurement of charm and beauty photoproduction at the electron proton collider HERA is presented based on the simultaneous detection of a D meson and a muon. The correlation between the D meson and the muon serves to separate the charm and beauty contributions and the analysis provides comparable sensitivity to both. The total and differential experimental cross sections are compared to LO and NLO QCD calculations. The measured charm cross section is in good agreement with QCD predictions including higher order effects while the beauty cross section is higher.

  20. Measurement of Charm and Beauty Photoproduction at HERA using D* mu Correlations

    CERN Document Server

    Aktas, A.; Anthonis, T.; Aplin, S.; Asmone, A.; Astvatsatourov, A.; Babaev, A.; Backovic, S.; Bahr, J.; Baghdasaryan, A.; Baranov, P.; Barrelet, E.; Bartel, W.; Baudrand, S.; Baumgartner, S.; Becker, J.; Beckingham, M.; Behnke, O.; Behrendt, O.; Belousov, A.; Berger, Ch.; Berger, N.; Bizot, J.C.; Boenig, M.-O.; Boudry, V.; Bracinik, J.; Brandt, G.; Brisson, V.; Brown, D.P.; Bruncko, D.; Busser, F.W.; Bunyatyan, A.; Buschhorn, G.; Bystritskaya, L.; Campbell, A.J.; Caron, S.; Cassol-Brunner, F.; Cerny, K.; Cerny, V.; Chekelian, V.; Contreras, J.G.; Coughlan, J.A.; Cox, B.E.; Cozzika, G.; Cvach, J.; Dainton, J.B.; Dau, W.D.; Daum, K.; Delcourt, B.; Demirchyan, R.; De Roeck, A.; Desch, K.; De Wolf, E.A.; Diaconu, C.; Dodonov, V.; Dubak, A.; Eckerlin, Guenter; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Ellerbrock, M.; Elsen, E.; Erdmann, W.; Essenov, S.; Falkewicz, A.; Faulkner, P.J.W.; Favart, L.; Fedotov, A.; Felst, R.; Ferencei, J.; Finke, L.; Fleischer, M.; Fleischmann, P.; Fleming, Y.H.; Flucke, G.; Fomenko, A.; Foresti, I.; Formanek, J.; Franke, G.; Frising, G.; Frisson, T.; Gabathuler, E.; Garutti, E.; Gayler, J.; Gerhards, R.; Gerlich, C.; Ghazaryan, Samvel; Ginzburgskaya, S.; Glazov, A.; Glushkov, I.; Goerlich, L.; Goettlich, M.; Gogitidze, N.; Gorbounov, S.; Goyon, C.; Grab, C.; Greenshaw, T.; Gregori, M.; Grindhammer, Guenter; Gwilliam, C.; Haidt, D.; Hajduk, L.; Haller, J.; Hansson, M.; Heinzelmann, G.; Henderson, R.C.W.; Henschel, H.; Henshaw, O.; Herrera, G.; Hildebrandt, M.; Hiller, K.H.; Hoffmann, D.; Horisberger, R.; Hovhannisyan, A.; Ibbotson, M.; Ismail, M.; Jacquet, M.; Janauschek, L.; Janssen, X.; Jemanov, V.; Jonsson, L.; Johnson, D.P.; Jung, H.; Kapichine, M.; Karlsson, M.; Katzy, J.; Keller, N.; Kenyon, I.R.; Kiesling, Christian M.; Klein, M.; Kleinwort, C.; Klimkovich, T.; Kluge, T.; Knies, G.; Knutsson, A.; Korbel, V.; Kostka, P.; Koutouev, R.; Krastev, K.; Kretzschmar, J.; Kropivnitskaya, A.; Kruger, K.; Kuckens, J.; Landon, M.P.J.; Lange, W.; Lastovicka, T.; Laycock, P.; Lebedev, A.; Leiner, B.; Lendermann, V.; Levonian, S.; Lindfeld, L.; Lipka, K.; List, B.; Lobodzinska, E.; Loktionova, N.; Lopez-Fernandez, R.; Lubimov, V.; Lucaci-Timoce, A.-I.; Lueders, H.; Luke, D.; Lux, T.; Lytkin, L.; Makankine, A.; Malden, N.; Malinovski, E.; Mangano, S.; Marage, P.; Marshall, R.; Martisikova, M.; Martyn, H.-U.; Maxfield, S.J.; Meer, D.; Mehta, A.; Meier, K.; Meyer, A.B.; Meyer, H.; Meyer, J.; Mikocki, S.; Milcewicz-Mika, I.; Milstead, D.; Mohamed, A.; Moreau, F.; Morozov, A.; Morris, J.V.; Mozer, Matthias Ulrich; Muller, K.; Murin, P.; Nankov, K.; Naroska, B.; Naumann, J.; Naumann, Th.; Newman, Paul R.; Niebuhr, C.; Nikiforov, A.; Nikitin, D.; Nowak, G.; Nozicka, M.; Oganezov, R.; Olivier, B.; Olsson, J.E.; Osman, S.; Ozerov, D.; Palichik, V.; Papadopoulou, T.; Pascaud, C.; Patel, G.D.; Peez, M.; Perez, E.; Perez-Astudillo, D.; Perieanu, A.; Petrukhin, A.; Pitzl, D.; Placakyte, R.; Portheault, B.; Povh, B.; Prideaux, P.; Raicevic, N.; Reimer, P.; Rimmer, A.; Risler, C.; Rizvi, E.; Robmann, P.; Roland, B.; Roosen, R.; Rostovtsev, A.; Rurikova, Z.; Rusakov, S.; Salvaire, F.; Sankey, D.P.C.; Sauvan, E.; Schatzel, S.; Schilling, F.-P.; Schmidt, S.; Schmitt, S.; Schmitz, C.; Schoeffel, L.; Schoning, A.; Schroder, V.; Schultz-Coulon, H.-C.; Schwanenberger, C.; Sedlak, K.; Sefkow, F.; Sheviakov, I.; Shtarkov, L.N.; Sirois, Y.; Sloan, T.; Smirnov, P.; Soloviev, Y.; South, D.; Spaskov, V.; Specka, Arnd E.; Stella, B.; Stiewe, J.; Strauch, I.; Straumann, U.; Tchoulakov, V.; Thompson, G.; Thompson, P.D.; Tomasz, F.; Traynor, D.; Truoel, Peter; Tsakov, I.; Tsipolitis, G.; Tsurin, I.; Turnau, J.; Tzamariudaki, E.; Urban, Marcel; Usik, A.; Utkin, D.; Valkar, S.; Valkarova, A.; Vallee, C.; Van Mechelen, P.; Van Remortel, N.; Vargas Trevino, A.; Vazdik, Y.; Veelken, C.; Vest, A.; Vinokurova, S.; Volchinski, V.; Vujicic, B.; Wacker, K.; Wagner, J.; Weber, G.; Weber, R.; Wegener, D.; Werner, C.; Werner, N.; Wessels, M.; Wessling, B.; Wigmore, C.; Winter, G.-G.; Wissing, Ch.; Wolf, R.; Wunsch, E.; Xella, S.; Yan, W.; Yeganov, V.; Zacek, J.; Zalesak, J.; Zhang, Z.; Zhelezov, A.; Zhokin, A.; Zimmermann, J.; Zohrabyan, H.; Zomer, F.

    2005-01-01

    A measurement of charm and beauty photoproduction at the electron proton collider HERA is presented based on the simultaneous detection of a D*^{\\pm} meson and a muon. The correlation between the D* meson and the muon serves to separate the charm and beauty contributions and the analysis provides comparable sensitivity to both. The total and differential experimental cross sections are compared to LO and NLO QCD calculations. The measured charm cross section is in good agreement with QCD predictions including higher order effects while the beauty cross section is higher.